# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-01T12:42:57+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The Journal of Organic Chemistry') AND volume = 79 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4028970","11.7435","0.0012","19.993","0.002","12.8657","0.0013","90","","101.902","0.002","90","","2955.8","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl3 N3 O4 -","- C30 H27 Cl3 N3 O4 -","- C120 H108 Cl12 N12 O16 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0734","0.0652","","","0.1822","0.1928","","","","","","1.048","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028971","5.8881","0.0007","13.3081","0.0017","16.604","0.002","90","","95.657","0.011","90","","1294.7","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0611","0.044","","","0.13","0.1479","","","","","","0.938","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028972","13.8909","0.0009","7.4062","0.0007","14.4885","0.001","90","","97.241","0.007","90","","1478.7","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0878","0.0712","","","0.2083","0.2296","","","","","","1.051","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028973","15.764","0.008","6.382","0.003","17.533","0.009","90","","114.882","0.008","90","","1600.2","1.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.1033","0.0971","","","0.1914","0.194","","","","","","1.363","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028974","18.23","0.001","17.294","0.001","18.513","0.001","90","","99.26","0.001","90","","5760.5","0.6","173","1","173","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H80 O5 -","- C65 H80 O5 -","- C260 H320 O20 -","4","1","","Poms, David; Itzhak, Norbert; Kuno, Lev; Biali, Silvio E.","Calixradialenes: calixarene derivatives with exocyclic double bonds.","The Journal of organic chemistry","2014","79","2","538","545","10.1021/jo402223x","","","0.71073","MoKα","","0.1024","0.0961","","","0.1914","0.1945","","","","","","1.33","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028975","15.927","0.001","19.085","0.001","24.566","0.002","90","","95.843","0.001","90","","7428.5","0.9","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H81 N O8.5 -","- C80 H81 N O8.5 -","- C320 H324 N4 O34 -","4","1","","Poms, David; Itzhak, Norbert; Kuno, Lev; Biali, Silvio E.","Calixradialenes: calixarene derivatives with exocyclic double bonds.","The Journal of organic chemistry","2014","79","2","538","545","10.1021/jo402223x","","","0.71073","MoKα","","0.1132","0.0978","","","0.2436","0.256","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028976","36.1535","0.0013","36.1535","0.0013","12.2934","0.0005","90","","90","","120","","13915.6","0.9","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H30 N2 S3 -","- C40 H30 N2 S3 -","- C720 H540 N36 S54 -","18","1","","Kato, Shin-Ichiro; Shimizu, Satoru; Kobayashi, Atsushi; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Systematic structure-property investigations on a series of alternating carbazole-thiophene oligomers.","The Journal of organic chemistry","2014","79","2","618","629","10.1021/jo402416f","","","0.7107","MoKα","","0.0916","0.0906","","","0.2119","0.2131","","","","","","1.202","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028977","10.0598","0.0005","10.3875","0.0005","27.6339","0.0014","90","","90","","90","","2887.6","0.2","153","","153","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 I O4 Si -","- C30 H39 I O4 Si -","- C120 H156 I4 O16 Si4 -","4","1","","Akahori, Yoshihiro; Yamakoshi, Hiroyuki; Sawayama, Yuki; Hashimoto, Shunichi; Nakamura, Seiichi","Synthesis of Chiral Building Blocks for Oxygenated Terpenoids through a Simultaneous and Stereocontrolled Construction of Contiguous Quaternary Stereocenters by an Ireland-Claisen Rearrangement.","The Journal of organic chemistry","2014","79","2","720","735","10.1021/jo402537u","","","0.71073","MoKα","","0.0274","0.0264","","","0.0624","0.0629","","","","","","1.021","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028978","6.9874","0.0002","15.0838","0.0006","10.7658","0.0004","90","","92.493","0.003","90","","1133.6","0.07","100.35","0.1","100.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 B2 Br2 O4 -","- C20 H30 B2 Br2 O4 -","- C40 H60 B4 Br4 O8 -","2","1","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0356","0.0311","","","0.0635","0.0665","","","","","","1.031","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028979","10.995","0.0005","15.2779","0.0007","9.2804","0.0004","90","","94.845","0.004","90","","1553.36","0.12","100.25","0.1","100.25","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 B Br2 O2 -","- C14 H19 B Br2 O2 -","- C56 H76 B4 Br8 O8 -","4","0.5","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0321","0.024","","","0.0517","0.0554","","","","","","1.049","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028980","7.7199","0.0003","20.8635","0.0008","10.065","0.0003","90","","102.553","0.004","90","","1582.36","0.1","100.4","0.1","100.4","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 B Br2 O2 -","- C14 H19 B Br2 O2 -","- C56 H76 B4 Br8 O8 -","4","1","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0411","0.0309","","","0.0706","0.0757","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028981","19.0571","0.0003","26.6288","0.0004","22.2563","0.0004","90","","100.207","0.0016","90","","11115.6","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 Br2 O4 -","- C26 H34 B2 Br2 O4 -","- C416 H544 B32 Br32 O64 -","16","4","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","1.5418","CuKα","","0.0811","0.0743","","","0.1982","0.2044","","","","","","1.067","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028982","10.893","0.002","11.806","0.002","11.988","0.002","77.45","0.03","79.49","0.03","72.23","0.03","1421.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bridged-bisheterocycle_(3a)","","","- C30 H29 N3 O7 S -","- C30 H29 N3 O7 S -","- C60 H58 N6 O14 S2 -","2","1","","Dang, Ling; Liang, Libo; Qian, Cheng; Fu, Meiqin; Ma, Tongmei; Xu, Dingguo; Jiang, Huanfeng; Zeng, Wei","Cu(OAc)2-Promoted Cascade Carboamination/Oxidative Cyclization of C-Acylimines with Alkenes.","The Journal of organic chemistry","2014","79","2","769","776","10.1021/jo402705w","","","0.71073","MoKα","","0.0906","0.0551","","","0.1707","0.2369","","","","","","1.114","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028983","5.84","0.0001","9.7694","0.0001","17.7381","0.0002","90","","90.395","0.001","90","","1011.99","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Liu, Jia; He, Xiu-Feng; Wang, Gai-Hong; Merino, Emilio F.; Yang, Sheng-Ping; Zhu, Rong-Xiu; Gan, Li-She; Zhang, Hua; Cassera, Maria B.; Wang, He-Yao; Kingston, David G. I.; Yue, Jian-Min","Aphadilactones A-D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant.","The Journal of organic chemistry","2014","79","2","599","607","10.1021/jo402340h","","","1.54178","CuKα","","0.0438","0.0434","","","0.1291","0.1303","","","","","","1.032","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028984","16.1459","0.0011","11.8659","0.0008","18.6686","0.0012","90","","108.086","0.001","90","","3399.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 N2 O2 -","- C46 H34 N2 O2 -","- C184 H136 N8 O8 -","4","1","","Xie, Ye-Xiang; Tang, Ri-Yuan; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng","Synthesis of Benzocyclohepta[b]indoles by Lewis Acid Catalyzed Annulation of Two 3-(1H-Isochromen-1-yl)-1H-indoles.","The Journal of organic chemistry","2014","79","2","686","691","10.1021/jo4024667","","","0.71073","MoKα","","0.0639","0.0432","","","0.1042","0.1124","","","","","","0.925","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028985","14.802","0.006","5.944","0.003","17.408","0.007","90","","97.367","0.011","90","","1519","1.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0424","","","","0.1358","","","","","","1.082","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028986","5.8546","0.0015","12.369","0.003","25.48","0.006","90","","90","","90","","1845.1","0.8","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 S -","- C19 H18 Br N O3 S -","- C76 H72 Br4 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.0411","","","","0.0829","","","","","","0.992","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028987","35.284","0.016","11.135","0.005","7.735","0.003","90","","90","","90","","3039","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C144 H104 F24 O16 -","8","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0843","","","","0.2637","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028988","12.737","0.005","16.582","0.005","11.105","0.004","90","","114.931","0.007","90","","2126.9","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.0587","","","","0.1679","","","","","","0.923","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028989","21.215","0.007","5.6844","0.0012","17.143","0.006","90","","100.435","0.007","90","","2033.2","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.1266","","","","0.3672","","","","","","1.068","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028990","9.9059","0.0013","13.8595","0.0018","16.783","0.003","90","","90","","90","","2304.2","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 S -","- C23 H22 Br N O4 S -","- C92 H88 Br4 N4 O16 S4 -","4","1","","Smith, Siobhan R.; Douglas, James; Prevet, Hugues; Shapland, Peter; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-Catalyzed Asymmetric Synthesis of β-Lactams and β-Amino Esters from Arylacetic Acid Derivatives and N-Sulfonylaldimines.","The Journal of organic chemistry","2014","79","4","1626","1639","10.1021/jo402590m","","","0.71075","MoKα","","","0.0417","","","","0.0718","","","","","","0.973","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028991","6.0161","0.0004","14.424","0.002","21.643","0.003","90","","90","","90","","1878.1","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Eske, Angelika; Goldfuss, Bernd; Griesbeck, Axel G.; de Kiff, Alan; Kleczka, Margarethe; Leven, Matthias; Neudörfl, Jörg-M; Vollmer, Moritz","Ene-diene transmissive cycloaddition reactions with singlet oxygen: the vinylogous gem effect and its use for polyoxyfunctionalization of dienes.","The Journal of organic chemistry","2014","79","4","1818","1829","10.1021/jo5000434","","","0.71073","MoKα","","0.0915","0.0399","","","0.0691","0.0785","","","","","","1.008","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028992","9.4717","0.0003","26.886","0.0005","10.7925","0.0002","90","","103.667","0.0019","90","","2670.56","0.11","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H20 F6 N2 O3 -","- C32 H20 F6 N2 O3 -","- C128 H80 F24 N8 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0665","0.0559","","","0.1399","0.1486","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028993","9.1358","0.0002","9.3779","0.0002","16.4931","0.0004","84.1242","0.0013","83.5138","0.001","84.6915","0.0014","1391.93","0.05","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 F6 N2 O4 -","- C32 H27 F6 N2 O4 -","- C64 H54 F12 N4 O8 -","2","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0698","0.0618","","","0.1512","0.1585","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028994","9.6008","0.0001","12.0613","0.0002","22.8444","0.0003","90","","90","","90","","2645.34","0.06","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N3 O3 -","- C32 H33 N3 O3 -","- C128 H132 N12 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0295","0.0274","","","0.0651","0.0665","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028995","10.4509","0.0002","12.8373","0.0002","14.3242","0.0003","90","","95.178","0.001","90","","1913.91","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 B O2 S -","- C20 H23 B O2 S -","- C80 H92 B4 O8 S4 -","4","1","","Zhu, Gangguo; Kong, Wei; Feng, Hui; Qian, Zhaosheng","Synthesis of (Z)-1-Thio- and (Z)-2-Thio-1-alkenyl Boronates via Copper-Catalyzed Regiodivergent Hydroboration of Thioacetylenes: An Experimental and Theoretical Study.","The Journal of organic chemistry","2014","79","4","1786","1795","10.1021/jo4028402","","","0.71073","MoKα","","","0.0595","","","0.1613","0.175","","","","","","1.039","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028996","17.3504","0.0016","6.1246","0.0007","17.8836","0.0017","90","","117.107","0.006","90","","1691.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B O2 S -","- C16 H23 B O2 S -","- C64 H92 B4 O8 S4 -","4","1","","Zhu, Gangguo; Kong, Wei; Feng, Hui; Qian, Zhaosheng","Synthesis of (Z)-1-Thio- and (Z)-2-Thio-1-alkenyl Boronates via Copper-Catalyzed Regiodivergent Hydroboration of Thioacetylenes: An Experimental and Theoretical Study.","The Journal of organic chemistry","2014","79","4","1786","1795","10.1021/jo4028402","","","0.71073","MoKα","","0.0962","0.0498","","","0.1464","0.1828","","","","","","1.013","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028997","5.6997","0.0006","26.578","0.002","23.461","0.002","90","","93.845","0.008","90","","3546","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N10 O7 -","- C34 H40 N10 O7 -","- C136 H160 N40 O28 -","4","1","","Spanier, Lukas; Ciglia, Emanuele; Hansen, Finn K.; Kuna, Krystina; Frank, Walter; Gohlke, Holger; Kurz, Thomas","Design, Synthesis, and Conformational Analysis of Trispyrimidonamides as α-Helix Mimetics.","The Journal of organic chemistry","2014","79","4","1582","1593","10.1021/jo402353z","","","0.71073","MoKα","","0.2415","0.1627","","","0.3242","0.3654","","","","","","1.307","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028998","10.2041","0.0014","9.0692","0.0012","10.6334","0.0015","90","","118.081","0.003","90","","868.2","0.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H29 N O S -","- C16 H29 N O S -","- C32 H58 N2 O2 S2 -","2","1","","Bosque, Irene; Bagdatli, Emine; Foubelo, Francisco; Gonzalez-Gomez, Jose C","Regio- and stereoselective aminopentadienylation of carbonyl compounds.","The Journal of organic chemistry","2014","79","4","1796","1804","10.1021/jo402854z","","","0.71073","MoKα","","0.0618","0.0454","","","0.0922","0.0995","","","","","","1.004","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028999","34.53","0.005","15.623","0.002","9.9225","0.0014","90","","93.24","0.002","90","","5344.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62.83 H45.66 Cl1.66 N2 O2 -","- C62.83 H45.66 Cl1.66 N2 O2 -","- C251.32 H182.64 Cl6.64 N8 O8 -","4","1","","Commins, Patrick; Garcia-Garibay, Miguel A","Photochromic molecular gyroscope with solid state rotational States determined by an azobenzene bridge.","The Journal of organic chemistry","2014","79","4","1611","1619","10.1021/jo402516n","","","0.71073","MoKα","","0.1008","0.0633","","","0.1732","0.1919","","","","","","1.065","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4029000","10.9892","0.0015","18.447","0.002","10.4836","0.0015","90","","94.773","0.004","90","","2117.8","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 O P -","- C28 H23 O P -","- C112 H92 O4 P4 -","4","1","","Li, Da-Peng; Pan, Xiang-Qiang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Manganese(III)-Mediated Selective Diphenylphosphinoyl Radical Reaction of 1,4-Diaryl-1-butynes for the Synthesis of 2-Phosphinoylated 3,4-Dihydronaphathalenes.","The Journal of organic chemistry","2014","79","4","1850","1855","10.1021/jo402556a","","","0.71075","MoKα","","0.0684","0.0517","","","0.131","0.142","","","","","","1.106","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029001","10.9371","0.0019","18.062","0.003","10.629","0.0018","90","","93.849","0.004","90","","2095","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 O2 P -","- C27 H21 O2 P -","- C108 H84 O8 P4 -","4","1","","Li, Da-Peng; Pan, Xiang-Qiang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Manganese(III)-Mediated Selective Diphenylphosphinoyl Radical Reaction of 1,4-Diaryl-1-butynes for the Synthesis of 2-Phosphinoylated 3,4-Dihydronaphathalenes.","The Journal of organic chemistry","2014","79","4","1850","1855","10.1021/jo402556a","","","0.7107","MoKα","","0.0798","0.0637","","","0.1224","0.1301","","","","","","1.063","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029002","9.1444","0.0006","10.7731","0.0006","10.2668","0.0006","90","","115.759","0.003","90","","910.91","0.1","200","2","200","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H18 I N3 O2 -","- C18 H18 I N3 O2 -","- C36 H36 I2 N6 O4 -","2","1","","Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes.","The Journal of organic chemistry","2014","79","4","1842","1849","10.1021/jo4025368","","","0.71073","MoKα","","0.0388","0.0336","","","0.0718","0.0742","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029003","12.3676","0.0017","10.7025","0.0016","16.056","0.003","90","","99.159","0.007","90","","2098.1","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes.","The Journal of organic chemistry","2014","79","4","1842","1849","10.1021/jo4025368","","","0.71073","MoKα","","0.1401","0.0698","","","0.1503","0.1783","","","","","","1.06","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029004","12.027","0.001","6.5477","0.0005","16.2446","0.0013","90","","106.17","0.004","90","","1228.64","0.17","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H34 N2 O3 S2 Sn -","- C20 H34 N2 O3 S2 Sn -","- C40 H68 N4 O6 S4 Sn2 -","2","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0634","0.0376","","","0.0643","0.0703","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029005","11.7403","0.0004","12.2518","0.0004","14.731","0.0005","90","","90","","90","","2118.9","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Br N2 O3 S2 -","- C17 H25 Br N2 O3 S2 -","- C68 H100 Br4 N8 O12 S8 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0639","0.0346","","","0.0739","0.083","","","","","","1.01","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029006","6.6611","0.0011","15.257","0.002","26.691","0.004","90","","90","","90","","2712.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H38 N2 O4 S2 Sn -","- C21 H36 N2 O4 S2 Sn -","- C84 H144 N8 O16 S8 Sn4 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.3073","0.0731","","","0.1209","0.1757","","","","","","0.897","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029007","43.61","0.008","6.0586","0.0011","33.754","0.006","90","","128.889","0.002","90","","6942","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 N12 O4 -","- C34 H30 Cl2 N12 O4 -","- C272 H240 Cl16 N96 O32 -","8","1","","Xie, Ming-Sheng; Chu, Zhi-Liang; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming","A Copper-Catalyzed Domino Route toward Purine-Fused Tricyclic Derivatives.","The Journal of organic chemistry","2014","79","3","1093","","10.1021/jo4025489","","","0.71073","MoKα","","0.1337","0.0557","","","0.1253","0.1604","","","","","","1.009","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029008","5.0136","0.0008","5.3946","0.0006","9.3077","0.0013","84.817","0.01","82.484","0.012","80.657","0.011","245.65","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(2S,6S)-2,6-Dichloroheptane-1,7-diol","","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","1","1","","Swatschek, Jörg; Grothues, Lydia; Bauer, Jonathan O.; Strohmann, Carsten; Christmann, Mathias","A Formal, One-Pot β-Chlorination of Primary Alcohols and Its Utilization in the Transformation of Terpene Feedstock and the Synthesis of a C2-Symmetrical Terminal Bis-Epoxide.","The Journal of organic chemistry","2014","79","3","976","","10.1021/jo402422b","","","0.71073","MoKα","","0.0201","0.0198","","","0.053","0.0533","","","","","","1","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029009","5.6469","0.0008","9.0685","0.0012","14.814","0.002","104.534","0.011","98.37","0.012","93.921","0.012","722.14","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C34 H34 N6 -","2","1","","Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad R.; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Amiri Rudbari, Hadi","Copper Immobilized on Nanosilica Triazine Dendrimer (Cu(II)-TD@nSiO2)-Catalyzed Regioselective Synthesis of 1,4-Disubstituted 1,2,3-Triazoles and Bis- and Tris-Triazoles via a One-Pot Multicomponent Click Reaction.","The Journal of organic chemistry","2014","79","3","1437","","10.1021/jo402170n","","","0.71073","MoKα","","0.1116","0.0783","","","0.1917","0.2092","","","","","","1.095","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029010","9.8869","0.0005","9.9389","0.0006","16.1785","0.0009","90","","90","","90","","1589.78","0.15","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N O3 P -","- C17 H20 N O3 P -","- C68 H80 N4 O12 P4 -","4","1","","Qu, Bo; Samankumara, Lalith P.; Savoie, Jolaine; Fandrick, Daniel R.; Haddad, Nizar; Wei, Xudong; Ma, Shengli; Lee, Heewon; Rodriguez, Sonia; Busacca, Carl A.; Yee, Nathan K.; Song, Jinhua J.; Senanayake, Chris H.","Synthesis of Pyridyl-dihydrobenzooxaphosphole Ligands and Their Application in Asymmetric Hydrogenation of Unfunctionalized Alkenes.","The Journal of organic chemistry","2014","79","3","993","","10.1021/jo4024864","","","1.54178","CuKα","","0.0263","0.0261","","","","0.0689","","","","","","1.0439","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029011","7.998","0.0004","19.3464","0.0008","13.199","0.0007","90","","110.087","0.001","90","","1918.08","0.16","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Yao, Bangben; Shen, Chuang; Liang, Zunjun; Zhang, Yuhong","Copper-Catalyzed Reaction of Ketenimine and in Situ Generated Immonium Ion: Access to α,β-Unsaturated Amidines.","The Journal of organic chemistry","2014","79","3","936","","10.1021/jo402368x","","","0.71073","MoKα","","0.104","0.0474","","","0.1087","0.156","","","","","","1","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029012","7.7286","0.0003","19.906","0.001","13.2464","0.0007","90","","102.301","0.004","90","","1991.11","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N2 O3 S -","- C20 H23 N2 O3 S -","- C80 H92 N8 O12 S4 -","4","1","","Yao, Bangben; Shen, Chuang; Liang, Zunjun; Zhang, Yuhong","Copper-Catalyzed Reaction of Ketenimine and in Situ Generated Immonium Ion: Access to α,β-Unsaturated Amidines.","The Journal of organic chemistry","2014","79","3","936","","10.1021/jo402368x","","","0.71073","MoKα","","0.1432","0.0486","","","0.1144","0.1319","","","","","","0.804","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029013","12.5682","0.0004","7.3873","0.0002","11.2454","0.0004","90","","98.128","0.001","90","","1033.59","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10-NA","4-Benzenesulfonyl-2-formylpyrrole","","- C11 H9 N O3 S -","- C11 H9 N O3 S -","- C44 H36 N4 O12 S4 -","4","1","","Chen, Chih-Yuan; Bocian, David F.; Lindsey, Jonathan S.","Synthesis of 24 Bacteriochlorin Isotopologues, Each Containing a Symmetrical Pair of (13)C or (15)N Atoms in the Inner Core of the Macrocycle.","The Journal of organic chemistry","2014","79","3","1001","","10.1021/jo402488n","","","0.71073","MoKα","","0.0359","0.0322","","","0.0883","0.0914","","","","","","1.079","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029014","7.107","0.002","7.758","0.002","10.62","0.003","75.924","0.005","79.636","0.006","71.112","0.006","534.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0823","0.069","","","0.1963","0.2092","","","","","","1.08","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029015","10.7714","0.0011","7.8126","0.0008","11.5206","0.0012","90","","106.574","0.002","90","","929.21","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C44 H32 N4 O8 -","2","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0387","0.0346","","","0.0943","0.0977","","","","","","1.067","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029016","8.1738","0.0011","21.296","0.003","8.4023","0.0011","90","","109.477","0.003","90","","1378.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O S -","- C15 H11 N3 O S -","- C60 H44 N12 O4 S4 -","4","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0635","0.0573","","","0.1382","0.1445","","","","","","1.068","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029017","8.9155","0.0005","19.5706","0.001","9.5106","0.0005","90","","115.773","0.002","90","","1494.35","0.14","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Li N O2 -","- C15 H24 Li N O2 -","- C60 H96 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0804","0.0592","","","0.145","0.1586","","","","","","1.016","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029018","10.1089","0.0007","10.1193","0.0007","10.1523","0.0007","63.117","0.003","66.551","0.003","63.364","0.003","802.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ccs25jul12","","","- C16 H26 Li N O2 -","- C16 H26 Li N O2 -","- C32 H52 Li2 N2 O4 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0825","0.0642","","","0.1571","0.1686","","","","","","1.168","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029019","18.5362","0.0016","14.7209","0.0012","11.5776","0.001","90","","96.352","0.006","90","","3139.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs17aug12","","","- C32 H48 Li2 N2 O4 -","- C32 H48 Li2 N2 O4 -","- C128 H192 Li8 N8 O16 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0665","0.0566","","","0.1629","0.1733","","","","","","1.086","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029020","9.7929","0.0009","11.8274","0.001","15.003","0.0013","90","","104.686","0.004","90","","1680.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ccs20nov12","","","- C17 H26 Li N O2 -","- C17 H26 Li N O2 -","- C68 H104 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0776","0.0701","","","0.2134","0.229","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029021","9.9429","0.0013","9.5568","0.0013","18.306","0.003","90","","97.905","0.004","90","","1722.9","0.4","208","2","208","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","ccs23jul12","","","- C17 H28 Li N O2 -","- C17 H28 Li N O2 -","- C68 H112 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0338","0.0291","","","0.0734","0.0772","","","","","","1.011","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029022","9.889","0.0013","10.3072","0.0015","17.281","0.002","90","","102.308","0.004","90","","1720.9","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs04jul12","","","- C17 H28 Li N O2 -","- C17 H28 Li N O2 -","- C68 H112 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1173","0.1071","","","0.2841","0.2963","","","","","","1.054","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029023","10.9483","0.0011","16.07","0.0014","13.5591","0.0012","90","","108.446","0.003","90","","2263","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs06sept12","","","- C21 H38 Li N3 O2 -","- C21 H38 Li N3 O2 -","- C84 H152 Li4 N12 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1015","0.0927","","","0.2349","0.2462","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029024","8.1783","0.0008","8.8499","0.0008","9.4271","0.0009","79.55","0.006","68.433","0.006","75.674","0.006","611.7","0.1","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 Li N O2 -","- C11 H18 Li N O2 -","- C22 H36 Li2 N2 O4 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1303","0.1005","","","0.2736","0.2913","","","","","","1.84","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029025","12.028","0.002","11.5363","0.0019","18.827","0.003","90","","95.417","0.005","90","","2600.7","0.7","208","2","208","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Li N O2 -","- C12 H20 Li N O2 -","- C96 H160 Li8 N8 O16 -","8","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0359","0.031","","","0.1184","0.1246","","","","","","1.125","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029026","9.3268","0.0014","9.5932","0.0016","14.897","0.002","90","","97.819","0.005","90","","1320.5","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ccs09jul12","","","- C13 H20 Li N O -","- C13 H20 Li N O -","- C52 H80 Li4 N4 O4 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1501","0.1051","","","0.2539","0.2883","","","","","","1.065","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029027","13.486","0.002","17.232","0.002","19.781","0.004","90","","97.401","0.006","90","","4558.6","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs31jul12","","","- C24 H34 Li N O3 -","- C24 H34 Li N O3 -","- C192 H272 Li8 N8 O24 -","8","2","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1099","0.0641","","","0.1429","0.1617","","","","","","1.045","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029028","8.056","0.003","14.504","0.005","9.639","0.004","90","","102.066","0.006","90","","1101.4","0.7","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","jg05oct12","","","- C21 H36 Li N O3 -","- C21 H36 Li N O3 -","- C42 H72 Li2 N2 O6 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0781","0.0726","","","0.1927","0.2017","","","","","","1.005","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029029","12.898","0.004","14.874","0.006","17.747","0.005","90","","103.175","0.012","90","","3315.1","1.9","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H52 Li2 N2 O3 -","- C32 H52 Li2 N2 O3 -","- C128 H208 Li8 N8 O12 -","4","2","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1037","0.083","","","0.2067","0.2254","","","","","","1.056","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4029030","8.493","0.003","9.954","0.004","10.417","0.003","101.459","0.015","109.73","0.015","104.83","0.016","761","0.5","198","2","198","2","","","","","","","","5","P -1","-P 1","2","ccs06jun13","","","- C15 H24 Li N O -","- C15 H24 Li N O -","- C30 H48 Li2 N2 O2 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0613","0.0486","","","0.1325","0.1412","","","","","","1.047","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029031","8.5026","0.0004","18.063","0.0008","18.5086","0.0011","90","","90","","90","","2842.6","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl3 N O -","- C13 H12 Cl3 N O -","- C104 H96 Cl24 N8 O8 -","8","1","","Xie, Yuanzhen; Yu, Kai; Gu, Zhenhua","Stereoselective Synthesis of 1,3-Amino Alcohols by the Pd-Catalyzed Cyclization of Trichloroacetimidates.","The Journal of organic chemistry","2014","79","3","1289","","10.1021/jo402681z","","","0.71073","MoKα","","0.0509","0.0385","","","0.0881","0.0948","","","","","","1.017","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029032","14.549","0.003","5.7568","0.0012","14.436","0.003","90","","91.193","0.006","90","","1208.8","0.4","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H12 N3 O2 S -","- C14 H13.5 O2 S -","- C56 H54 O8 S4 -","4","1","","Kamimura, Akio; Nokubi, Tomomi; Watanabe, Ryusuke; Ishikawa, Mari; Nasu, Kotaro; Uno, Hidemitsu; Sumimoto, Michinori","4,4'-Diarylsulfanyl-2,2',5,5'-tetraoxybiaryl Derivatives as a Water-Soluble Fluorescent Dye.","The Journal of organic chemistry","2014","79","3","1068","","10.1021/jo402522y","","","0.71075","MoKα","","","0.0548","","","","0.0561","","","","","","5.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029033","19.0519","0.0004","16.3804","0.0003","15.9393","0.0003","90","","92.979","0.001","90","","4967.58","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H65 N4 O8.5 -","- C61 H65 N4 O8.5 -","- C244 H260 N16 O34 -","4","1","","Collins, Carleton G.; Lee, Joshua M.; Oliver, Allen G.; Wiest, Olaf; Smith, Bradley D.","Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision.","The Journal of organic chemistry","2014","79","3","1120","","10.1021/jo402564k","","","1.54184","CuKα","","0.075","0.0584","","","0.1571","0.1708","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029034","14.501","0.0009","6.6118","0.0003","28.1947","0.0013","90","","102.553","0.006","90","","2638.6","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H15 Cl N O2 -","- C14.5 H15 Cl N O2 -","- C116 H120 Cl8 N8 O16 -","8","1","","Collins, Carleton G.; Lee, Joshua M.; Oliver, Allen G.; Wiest, Olaf; Smith, Bradley D.","Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision.","The Journal of organic chemistry","2014","79","3","1120","","10.1021/jo402564k","","","1.54184","CuKα","","0.0637","0.0457","","","0.1145","0.1252","","","","","","1.068","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029035","10.33","0.002","11.014","0.003","20.136","0.004","90","","103.909","0.003","90","","2223.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N O4 -","- C26 H22 Cl N O4 -","- C104 H88 Cl4 N4 O16 -","4","1","","Zhang, Min; Luo, Fan; Gong, Yuefa","Stereoselective Cascade Formal Nucleophilic Substitution and Mannich Reaction of Ethyl 2-Aroyl-1-chlorocyclopropanecarboxylates.","The Journal of organic chemistry","2014","79","3","1335","","10.1021/jo402739f","","","0.71073","MoKα","","0.0633","0.0478","","","0.1379","0.1596","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029036","10.7718","0.0015","20.433","0.003","12.4019","0.0017","90","","99.058","0.003","90","","2695.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C116 H120 N8 O24 S4 -","4","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.052","0.0415","","","0.1126","0.121","","","","","","1.035","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029037","8.372","0.003","25.812","0.008","12.748","0.004","90","","98.552","0.007","90","","2724.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C116 H120 N8 O24 S4 -","4","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.0736","0.0558","","","0.1445","0.1572","","","","","","1.024","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029038","9.8415","0.0009","10.5577","0.001","14.1518","0.0013","70.033","0.002","79.613","0.002","89.068","0.002","1357.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C58 H60 N4 O12 S2 -","2","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.0531","0.0424","","","0.1169","0.1252","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029039","6.1167","0.0017","13.975","0.002","14.558","0.002","90","","90","","90","","1244.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F N2 O5 -","- C12 H15 F N2 O5 -","- C48 H60 F4 N8 O20 -","4","1","","Dugovic, Branislav; Leumann, Christian J.","A 6'-Fluoro-Substituent in Bicyclo-DNA Increases Affinity to Complementary RNA Presumably by CF-HC Pseudohydrogen Bonds.","The Journal of organic chemistry","2014","79","3","1271","","10.1021/jo402690j","","","0.71073","MoKα","","0.0827","0.0589","","","0.13","0.1418","","","","","","1.053","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029040","10.4726","0.0008","6.8537","0.0006","21.881","0.0016","90","","98.966","0.003","90","","1551.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Rajagopal, Basker; Chen, Ying-Yu; Chen, Chun-Chi; Liu, Xuan-Yu; Wang, Huei-Ren; Lin, Po-Chiao","Cu(I)-Catalyzed Synthesis of Dihydropyrimidin-4-ones toward the Preparation of β- and β(3)-Amino Acid Analogues.","The Journal of organic chemistry","2014","79","3","1254","","10.1021/jo402670d","","","0.71073","MoKα","","0.0705","0.0462","","","0.1034","0.1155","","","","","","1.026","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029041","7.8684","0.0013","13.971","0.002","8.8557","0.0016","90","","99.47","0.011","90","","960.2","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Lv, Jinglei; Zhang-Negrerie, Daisy; Deng, Jun; Du, Yunfei; Zhao, Kang","Metal-Free Synthesis of 2-Oxindoles via PhI(OAc)2-Mediated Oxidative C-C Bond Formation.","The Journal of organic chemistry","2014","79","3","1111","","10.1021/jo4025539","","","0.71073","MoKα","","0.0742","0.0563","","","0.1201","0.13","","","","","","1.118","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029042","11.448","0.0002","14.0412","0.0002","29.0912","0.0004","90","","90","","90","","4676.23","0.12","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O7 -","- C14 H20 O7 -","- C168 H240 O84 -","12","3","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","","1.5418","CuKα","","0.0496","0.048","","","0.1245","0.1261","","","","","","1.002","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029043","5.5597","0.0001","8.6192","0.0003","21.5904","0.0006","90","","90","","90","","1034.62","0.05","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","x-ray","1.5418","CuKα","","0.0329","0.0323","","","0.0822","0.0827","","","","","","1.004","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029044","13.621","0.0013","7.4887","0.0007","13.6778","0.0014","90","","104.871","0.002","90","","1348.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","","Paladhi, Sushovan; Bhati, Meeta; Panda, Deepanjan; Dash, Jyotirmayee","Thiazolidinedione-Isatin Conjugates via an Uncatalyzed Diastereoselective Aldol Reaction on Water.","The Journal of organic chemistry","2014","79","3","1473","","10.1021/jo402515d","","","0.71073","MoKα","","0.0492","0.0363","","","0.1033","0.118","","","","","","1.03","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029045","13.3514","0.0009","7.3471","0.0005","14.3492","0.0009","90","","103.439","0.002","90","","1369.03","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Paladhi, Sushovan; Bhati, Meeta; Panda, Deepanjan; Dash, Jyotirmayee","Thiazolidinedione-Isatin Conjugates via an Uncatalyzed Diastereoselective Aldol Reaction on Water.","The Journal of organic chemistry","2014","79","3","1473","","10.1021/jo402515d","","","0.71073","MoKα","","0.0329","0.0287","","","0.0721","0.0755","","","","","","1.046","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029046","14.655","0.0003","13.5527","0.0003","7.9644","0.0002","90","","100.376","0.001","90","","1555.98","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-5-phenyl-12-oxa-1-azatetracyclo [11.3.0.0^2,7^.0^9,13^]hexadeca-2,4,6,10-tetraen-16-one","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0412","0.0379","","","0.105","0.1094","","","","","","0.891","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029047","8.4988","0.0006","9.4755","0.0007","21.698","0.0015","90","","92.317","0.004","90","","1745.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11-Hydroxy-16-(pyridine-3-yl)-7-oxa-2-azapentacyclo [9.7.1.0^2,6^.0^6,10^.0^15,19^] nonadeca-1(19),8,15(16),17-tetraen-3-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.076","0.0646","","","0.2012","0.2172","","","","","","0.907","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029048","12.7615","0.0005","11.2442","0.0005","13.0344","0.0005","90","","102.229","0.002","90","","1827.9","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Hydroxy-15-(pyridine-3-yl)-9-oxa-2-azapentacyclo [8.7.1.1^6,9^.0^2,6^.0^14,18^]nonadeca- 1(18),7,14(15),16(17)tetraen-3-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0465","0.0441","","","0.1428","0.1465","","","","","","0.747","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029049","13.2746","0.0004","13.6899","0.0004","7.9482","0.0002","90","","95.563","0.001","90","","1437.61","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Furan-2-yl)-8-hydroxy-12-oxa-1-azatetracyclo [11.3.0.02,7.09,13]hexadeca-2,4,6,10-tetraen-12-one","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0419","0.0405","","","0.1076","0.1102","","","","","","0.876","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029050","7.6925","0.0009","13.0724","0.0016","14.116","0.0017","90.117","0.005","90.02","0.005","92.618","0.005","1418","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-(furan-2-yl)-2-hydroxy-16-oxa-9-azatetracyclo [11.2.1.0^3,8^.0^5,9^]hexadeca-3,5,7,14-tetraen-10-one","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","2","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0379","0.0355","","","0.1","0.1037","","","","","","0.859","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029051","14.5159","0.0003","7.8114","0.0002","14.8797","0.0003","90","","112.35","0.001","90","","1560.46","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-6-(pyridin-3-yl)-12-oxa-1-azatetracyclo [11.3.0.0^2,7^.0^9,13^] hexadeca-2,4,6,10-tetraen-16-one","","- C19 H17 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.042","0.0396","","","0.0897","0.0916","","","","","","1.109","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029052","13.0933","0.0014","10.9512","0.0011","14.9276","0.0015","90","","107.682","0.002","90","","2039.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Siyang, Hai Xiao; Wu, Xu Rui; Liu, Hui Ling; Wu, Xin Yan; Liu, Pei Nian","A Tandem Reaction of Benzyne with Functionalized Benzylidenephthalan To Afford Phenanthro[10,1-bc]furan.","The Journal of organic chemistry","2014","79","3","1505","","10.1021/jo402701q","","","0.71073","MoKα","","0.0749","0.0534","","","0.1339","0.1461","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029053","10.0966","0.0009","10.7209","0.0009","13.1753","0.0011","94.573","0.002","94.171","0.002","109.28","0.002","1334.4","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.1186","0.0714","","","0.1774","0.2063","","","","","","1.026","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029054","9.6731","0.0011","12.2468","0.0014","13.2905","0.0014","106.215","0.002","91.906","0.002","104.067","0.002","1457.8","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 O4 Si -","- C28 H40 B2 O4 Si -","- C56 H80 B4 O8 Si2 -","2","1","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.2351","0.1058","","","0.1969","0.2558","","","","","","1.06","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029055","10.299","0.004","12.07","0.006","19.582","0.006","89.885","0.015","86.412","0.013","78.391","0.017","2379.6","1.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O -","- C29 H20 F3 N O -","- C116 H80 F12 N4 O4 -","4","2","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.1988","0.0759","","","0.1889","0.246","","","","","","0.938","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029056","9.39","0.005","27.085","0.013","9.422","0.005","90","","99.646","0.009","90","","2362","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H52 N4 O4 -","- C57 H52 N4 O4 -","- C114 H104 N8 O8 -","2","0.5","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","0.71073","MoKα","","0.0656","0.0579","","","0.1358","0.14","","","","","","1.186","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029057","18.837","0.002","5.7769","0.0006","19.372","0.002","90","","101.358","0.008","90","","2066.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H60 N4 O4 -","- C50 H60 N4 O4 -","- C100 H120 N8 O8 -","2","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0898","0.0537","","","0.1054","0.1203","","","","","","1.024","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029058","7.7338","0.0002","26.7364","0.0007","18.136","0.0005","90","","102.266","0.001","90","","3664.45","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N4 O6 -","- C44 H48 N4 O6 -","- C176 H192 N16 O24 -","4","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0398","0.0379","","","0.0959","0.0974","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029059","10.8868","0.0004","11.9949","0.0005","16.3976","0.0006","81.721","0.002","74.868","0.002","72.391","0.002","1965.27","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.45 H44.9 Cl0.9 N4 O4 -","- C50.4482 H44.8964 Cl0.8964 N4 O4 -","- C100.896 H89.7928 Cl1.7928 N8 O8 -","2","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0407","0.0351","","","0.0873","0.0914","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029060","31.296","0.005","31.296","0.005","18.216","0.003","90","","90","","90","","17841","5","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 N3 O9.44 S Si -","- C32 H40 N3 O9.324 S Si -","- C512 H640 N48 O149.184 S16 Si16 -","16","1","","Feng, Yiqing; Majireck, Max M.; Weinreb, Steven M.","Total syntheses of the monoterpene indole alkaloids (±)-alstilobanine A and E and (±)-angustilodine.","The Journal of organic chemistry","2014","79","1","7","24","10.1021/jo402495q","","","0.71073","MoKα","","0.2274","0.1145","","","0.3291","0.3987","","","","","","1.018","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029061","6.1138","0.0014","11.409","0.003","11.578","0.003","90","","95.228","0.003","90","","804.2","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Pan, Xuejing; Huang, Guobao; Long, Yuhua; Zuo, Xiongjun; Xu, Xuan; Gu, Fenglong; Yang, Dingqiao","Platinum(II)-catalyzed asymmetric ring-opening addition of arylboronic acids to oxabenzonorbornadienes.","The Journal of organic chemistry","2014","79","1","187","196","10.1021/jo402386k","","","0.71073","MoKα","","0.049","0.0372","","","0.0921","0.0995","","","","","","1.047","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029062","5.9699","0.0003","8.9969","0.0006","28.9795","0.0015","90","","95.309","0.006","90","","1549.83","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl O2 -","- C19 H15 Cl O2 -","- C76 H60 Cl4 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.71073","MoKα","","0.0721","0.0506","","","0.1184","0.1376","","","","","","1.049","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029063","14.712","0.003","5.8398","0.0014","20.996","0.006","90","","105.27","0.03","90","","1740.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.7107","MoKα","","0.1882","0.0755","","","0.1398","0.1987","","","","","","0.964","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029064","5.5429","0.0006","8.4278","0.0009","34.013","0.003","90","","90","","90","","1588.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.71073","MoKα","","0.1001","0.0664","","","0.1412","0.1653","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029065","11.2513","0.0011","16.593","0.002","8.0237","0.0009","90","","90","","90","","1498","0.3","292.36","0.1","292.36","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.7107","MoKα","","0.1351","0.0699","","","0.1173","0.1565","","","","","","1.07","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029066","4.345","0.005","12.641","0.005","29.745","0.005","90","0.005","90","0.005","90","0.005","1634","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1H-Benzo[d][1,2,3]triazol-1-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanethione","","- C17 H16 F N5 S -","- C17 H16 F N5 S -","- C68 H64 F4 N20 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0691","0.0467","","","0.1027","0.1205","","","","","","0.851","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029067","6.0723","0.0009","37.105","0.003","8.4532","0.0011","90","","110.984","0.017","90","","1778.3","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-2-(4-Cinnamylpiperazin-1-yl)benzo[d]thiazole","","- C20 H21 N3 S -","- C20 H21 N3 S -","- C80 H84 N12 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0958","0.0515","","","0.072","0.0871","","","","","","0.992","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029068","28.665","0.005","6.157","0.005","18.403","0.005","90","0.005","103.129","0.005","90","0.005","3163","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(2-Chlorophenyl)piperazin-1-yl)benzo[d]thiazole","","- C17 H16 Cl N3 S -","- C17 H16 Cl N3 S -","- C136 H128 Cl8 N24 S8 -","8","2","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0896","0.0546","","","0.115","0.1328","","","","","","1.038","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029069","5.8893","0.0003","8.5161","0.0005","28.35","0.002","90","","90","","90","","1421.86","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(Pyridin-2-yl)piperazin-1-yl)benzo[d]thiazole","","- C16 H16 N4 S -","- C16 H16 N4 S -","- C64 H64 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.065","0.0455","","","0.0811","0.0904","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029070","4.75","0.005","13.031","0.005","18.356","0.005","90","0.005","90","0.005","90","0.005","1136.2","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1H-benzo[d][1,2,3]triazol-1-yl)benzo[d]thiazole","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.064","0.048","","","0.092","0.1011","","","","","","1.044","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029071","9.95","0.005","10.624","0.005","11.817","0.005","97.862","0.005","110.67","0.005","92.447","0.005","1152.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(Ferrocenylmethyl)-N-phenethyl-1H-benzo[d][1,2,3]triazole-1-carbothioamide","","- C26 H24 Fe N4 S -","- C26 H24 Fe N4 S -","- C52 H48 Fe2 N8 S2 -","2","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.1012","0.0544","","","0.091","0.1106","","","","","","0.997","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029072","5.794","0.005","18.784","0.005","19.784","0.005","88.613","0.005","86.767","0.005","88.134","0.005","2148","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(Ferrocenylmethyl)-N-phenethylbenzo[d]thiazol-2-amine","","- C26 H24 Fe N2 S -","- C26 H24 Fe N2 S -","- C104 H96 Fe4 N8 S4 -","4","2","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.1382","0.0809","","","0.1627","0.1926","","","","","","1.061","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029073","12.8513","0.0006","15.8223","0.0008","10.9565","0.0006","90","","96.729","0.005","90","","2212.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzyl-1-(ferrocenylmethyl)thiourea","","- C26 H26 Fe N2 S -","- C26 H26 Fe N2 S -","- C104 H104 Fe4 N8 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0925","0.0493","","","0.09","0.1105","","","","","","1.03","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029074","16.821","0.003","27.947","0.006","36.187","0.007","90","","90","","90","","17011","6","173","2","173","2","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C44 H50 N4 -","- C44 H50 N4 -","- C704 H800 N64 -","16","1","","Hao, Qingshan; Yu, Shuai; Li, Shayu; Chen, Jinping; Zeng, Yi; Yu, Tianjun; Yang, Guoqiang; Li, Yi","Locked planarity: a strategy for tailoring ladder-type π-conjugated anilido-pyridine boron difluorides.","The Journal of organic chemistry","2014","79","1","459","464","10.1021/jo402583y","","","0.71073","MoKα","","0.1054","0.0855","","","0.2139","0.2349","","","","","","1.038","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029075","13.4267","0.0002","17.8534","0.0003","20.7231","0.0003","90","","90","","90","","4967.58","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0552","0.0526","","","0.1587","0.1627","","","","","","1.029","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029076","7.5758","0.0002","9.3709","0.0003","12.8849","0.0004","92.136","0.001","97.274","0.002","97.046","0.001","899.22","0.05","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C38 H48 N4 O8 -","2","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0469","0.0407","","","0.1204","0.131","","","","","","1.05","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029077","7.1435","0.0008","15.1987","0.0018","8.8775","0.0011","90","","102.451","0.002","90","","941.18","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0432","0.0393","","","0.0962","0.0992","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029078","10.0279","0.001","10.062","0.0009","21.191","0.002","90","","90","","90","","2138.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C88 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0605","0.0409","","","0.0912","0.0999","","","","","","1.016","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029079","9.9069","0.0009","10.5077","0.0009","20.4388","0.0019","90","","90","","90","","2127.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0743","0.0459","","","0.0912","0.1018","","","","","","1.011","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029080","8.3052","0.001","14.2683","0.0018","17.062","0.002","90","","100.866","0.002","90","","1985.6","0.4","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C88 H88 O32 -","4","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1398","0.0553","","","0.0973","0.119","","","","","","1.056","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029081","11.72","0.0014","11.9056","0.0015","16.424","0.002","87.568","0.002","75.432","0.002","71.159","0.002","2097.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 Br2 O16 -","- C44 H44 Br2 O16 -","- C88 H88 Br4 O32 -","2","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.2108","0.0913","","","0.2081","0.2398","","","","","","1.229","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029082","19.827","0.004","18.867","0.004","12.772","0.003","90","","103.59","0.003","90","","4643.9","1.7","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 Cl2 O16 -","- C47 H54 Cl2 O16 -","- C188 H216 Cl8 O64 -","4","0.5","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1488","0.071","","","0.1769","0.2127","","","","","","1.061","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029083","16.6231","0.0014","22.3687","0.0019","12.0748","0.001","90","","117.234","0.001","90","","3992.1","0.6","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H21 Cl O7 -","- C21 H20 O7 -","- C168 H160 O56 -","8","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.099","0.0639","","","0.1769","0.193","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029084","16.123","0.004","22.373","0.005","12.678","0.003","90","","100.64","0.004","90","","4494.6","1.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 Br2 O17 -","- C45 H46 Br2 O17 -","- C180 H184 Br8 O68 -","4","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.2271","0.0722","","","0.1479","0.1964","","","","","","1","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029085","29.173","0.008","16.235","0.004","21.928","0.006","90","","92.484","0.004","90","","10376","5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Br2 Cl6 O16 -","- C46 H46 Br2 Cl6 O16 -","- C368 H368 Br16 Cl48 O128 -","8","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1477","0.0738","","","0.2007","0.2383","","","","","","1.061","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029086","21.9855","0.0004","8.06787","0.00016","13.8359","0.0003","90","","91.2493","0.0018","90","","2453.58","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 F I O3 -","- C14 H14 F I O3 -","- C112 H112 F8 I8 O24 -","8","1","","Struble, Mark D.; Strull, Jessica; Patel, Kishan; Siegler, Maxime A.; Lectka, Thomas","Modulating ""jousting"" C-F—H-C interactions with a bit of hydrogen bonding.","The Journal of organic chemistry","2014","79","1","1","6","10.1021/jo4018205","","","1.54178","CuKα","","0.0188","0.0182","","","0.0464","0.0468","","","","","","1.046","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029087","5.7172","0.0012","10.941","0.002","15.717","0.003","90","","92.598","0.003","90","","982.1","0.3","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","1","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","0.71073","MoKα","","0.0434","0.0358","","","0.0798","0.0847","","","","","","1.049","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029088","16.6637","0.0006","9.1966","0.0005","16.8975","0.0007","90","","109.839","0.003","90","","2435.84","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N3 P Se -","- C28 H30 N3 P Se -","- C112 H120 N12 P4 Se4 -","4","2","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","1.54178","CuKα","","0.0618","0.052","","","0.1265","0.1359","","","","","","1.027","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029089","9.1862","0.0003","11.9442","0.0005","14.8114","0.0005","106.527","0.002","97.798","0.002","110.162","0.002","1412.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 Cl3 N7 -","- C30 H24 Cl3 N7 -","- C60 H48 Cl6 N14 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0855","0.053","","","0.1265","0.1377","","","","","","1.294","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029090","10.9767","0.0004","11.446","0.0006","16.613","0.0008","94.177","0.002","93.6006","0.0013","106.993","0.002","1983.06","0.16","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C38 H34 Cl2 N8 -","- C38 H34 Cl2 N8 -","- C76 H68 Cl4 N16 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.2196","0.1941","","","0.4771","0.4847","","","","","","3.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029091","9.8523","0.0003","28.518","0.0011","13.247","0.0005","90","","111.422","0.002","90","","3464.9","0.2","100","","100","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N6 -","- C38 H46 N6 -","- C152 H184 N24 -","4","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0975","0.06","","","0.1525","0.18","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029092","7.461","0.002","9.4563","0.0013","22.633","0.004","77.902","0.005","87.007","0.007","74.91","0.02","1507.5","0.5","123","","123","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C36 H24 N6 O3 -","- C36 H24 N6 O3 -","- C72 H48 N12 O6 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.2452","0.1179","","","0.2447","0.3184","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029093","11.2869","0.0008","11.7092","0.0008","7.9701","0.0005","90","","95.891","0.003","90","","1047.77","0.12","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H19 N5 O -","- C25 H19 N5 O -","- C50 H38 N10 O2 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0672","0.0542","","","0.1663","0.1791","","","","","","1.34","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029094","12.9058","0.0013","7.5529","0.0007","12.7458","0.001","90","","118.198","0.003","90","","1094.96","0.18","123","","123","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C52 H44 N12 -","2","0.5","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.151","0.067","","","0.1534","0.1978","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029095","8.993","0.0008","9.8212","0.0009","15.1041","0.0014","94.013","0.005","96.665","0.004","109.521","0.004","1240.4","0.2","100","2","99.98","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H23 N7 -","- C29 H23 N7 -","- C58 H46 N14 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.1784","0.0725","","","0.1561","0.2001","","","","","","0.961","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029096","12.0184","0.0009","17.4168","0.0012","12.3712","0.0009","90","","118.678","0.003","90","","2271.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O5 -","- C24 H20 N6 O5 -","- C96 H80 N24 O20 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.063","0.0434","","","0.1041","0.1148","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029097","19.8575","0.0009","7.0316","0.0003","27.9026","0.0013","90","","90","","90","","3896","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","072-1","","","- C24 H14 N4 O4 -","- C24 H14 N4 O4 -","- C192 H112 N32 O32 -","8","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.074","0.0475","","","0.1008","0.112","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029098","6.3351","0.0004","10.3758","0.0007","22.9687","0.0017","90","","90","","90","","1509.77","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","064-1","","","- C18 H10 Br N3 O2 -","- C18 H10 Br N3 O2 -","- C72 H40 Br4 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.086","0.0464","","","0.0765","0.0859","","","","","","0.982","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029099","7.767","0.0005","10.3455","0.0007","17.8038","0.0013","90","","94.103","0.003","90","","1426.93","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.048","0.0405","","","0.1009","0.1054","","","","","","1.065","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029100","6.1413","0.0002","8.6786","0.0003","14.2186","0.0006","84.699","0.002","83.15","0.002","74.522","0.002","723.67","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","Nitro DHA 056","","","- C18 H11 N3 O2 -","- C18 H11 N3 O2 -","- C36 H22 N6 O4 -","2","2","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.0341","0.0316","","","0.0783","0.0797","","","","","","1.04","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029101","17.7097","0.0009","8.559","0.0004","13.1023","0.0006","90","","90","","90","","1986.01","0.16","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","055-fl","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.027","0.0255","","","0.0664","0.0673","","","","","","1.082","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029102","9.3037","0.0008","19.5952","0.0015","8.1866","0.0006","90","","101.163","0.003","90","","1464.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","076 EtOH","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.0506","0.0366","","","0.0818","0.0886","","","","","","1.033","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029103","9.1627","0.0004","25.9283","0.0011","13.6312","0.0006","90","","99.865","0.003","90","","3190.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 -","- C74 H92 -","- C148 H184 -","2","0.5","","Wu, Tien-Lin; Chou, Ho-Hsiu; Huang, Pei-Yun; Cheng, Chien-Hong; Liu, Rai-Shung","3,6,9,12-Tetrasubstituted chrysenes: synthesis, photophysical properties, and application as blue fluorescent OLED.","The Journal of organic chemistry","2014","79","1","267","274","10.1021/jo402429q","","","0.71073","MoKα","","0.1645","0.0862","","","0.2073","0.2511","","","","","","1.047","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029104","9.1016","0.0014","16.768","0.003","10.7755","0.0016","90","","99.52","0.002","90","","1621.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C60 H56 F12 N12 O12 -","4","1","","Li, Tian-Ren; Duan, Shu-Wen; Ding, Wei; Liu, Yi-Yin; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Synthesis of CF3-Containing 3,3'-Cyclopropyl Spirooxindoles by Sequential [3 + 2] Cycloaddition/Ring Contraction of Ylideneoxindoles with 2,2,2-Trifluorodiazoethane.","The Journal of organic chemistry","2014","79","5","2296","2302","10.1021/jo500019a","","","0.71073","MoKα","","0.047","0.0372","","","0.111","0.1222","","","","","","1.033","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029105","6.9009","0.0017","10.396","0.003","11.162","0.003","104.995","0.004","102.974","0.004","93.465","0.004","747.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C32 H32 F6 N2 O8 -","2","1","","Li, Tian-Ren; Duan, Shu-Wen; Ding, Wei; Liu, Yi-Yin; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Synthesis of CF3-Containing 3,3'-Cyclopropyl Spirooxindoles by Sequential [3 + 2] Cycloaddition/Ring Contraction of Ylideneoxindoles with 2,2,2-Trifluorodiazoethane.","The Journal of organic chemistry","2014","79","5","2296","2302","10.1021/jo500019a","","","0.71073","MoKα","","0.061","0.0505","","","0.1463","0.1797","","","","","","1.091","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029106","3.8649","0.0002","11.0897","0.0005","26.1706","0.0017","90","","90","","90","","1121.69","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Br2 Cl N2 -","- C11 H7 Br2 Cl N2 -","- C44 H28 Br8 Cl4 N8 -","4","1","","Vamos, Mitchell; Cosford, Nicholas D. P.","2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides.","The Journal of organic chemistry","2014","79","5","2274","2280","10.1021/jo402693s","","","0.71073","MoKα","","0.0196","0.0178","","","0.0399","0.0406","","","","","","1.069","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029107","20.5273","0.0016","8.8396","0.0007","12.1294","0.0008","90","","102.349","0.004","90","","2150","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C96 H72 Cl8 N16 O8 -","8","2","","Vamos, Mitchell; Cosford, Nicholas D. P.","2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides.","The Journal of organic chemistry","2014","79","5","2274","2280","10.1021/jo402693s","","","0.71073","MoKα","","0.0446","0.0321","","","0.0777","0.0847","","","","","","1.046","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029108","8.125","0.003","10.053","0.004","10.461","0.004","87.508","0.008","74.901","0.008","69.292","0.01","770.5","0.5","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O6 -","- C13 H19 N5 O6 -","- C26 H38 N10 O12 -","2","1","","Nakaike, Yumi; Nishiwaki, Nagatoshi; Ariga, Masahiro; Tobe, Yoshito","Synthesis of 4-Substituted 3,5-Dinitro-1,4-dihydropyridines by the Self-Condensation of β-Formyl-β-nitroenamine.","The Journal of organic chemistry","2014","79","5","2163","2169","10.1021/jo5000187","","","0.71075","MoKα","","0.0413","0.0374","","","0.1021","0.1052","","","","","","1.07","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029109","10.607","0.0003","12.554","0.0003","19.315","0.0007","90","","90","","90","","2571.99","0.13","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H24 O4 -","- C12 H22 O4 -","- C96 H176 O32 -","8","1","","Miquet, Stéphanie; Brémond, Paul; Ayela, Benjamin; Marque, Sylvain R. A.; Audran, Gérard","Revised structure, total synthesis, and absolute configuration of kopeolin and kopeolone.","The Journal of organic chemistry","2014","79","5","2268","2273","10.1021/jo402572b","","","0.71073","MoKα","","0.0464","0.0453","","","0.1437","0.1456","","","","","","1.202","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029110","6.4284","0.0009","14.765","0.002","19.116","0.003","90","","90","","90","","1814.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 S2 Si2 -","- C14 H22 S2 Si2 -","- C56 H88 S8 Si8 -","4","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.0359","0.0309","","","0.0794","0.083","","","","","","1.041","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029111","10.31","0.003","12.9","0.004","27.078","0.008","90","","94.648","0.007","90","","3589.5","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 S4 Si4 -","- C28 H40 S4 Si4 -","- C112 H160 S16 Si16 -","4","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.095","0.0588","","","0.1711","0.1873","","","","","","1.1","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029112","12.877","0.002","17.258","0.003","18.33","0.004","90","","90","","90","","4073.5","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H83 Cl3 O S8 Si8 -","- C57 H81 Cl3 O S8 Si8 -","- C114 H162 Cl6 O2 S16 Si16 -","2","0.5","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.1016","0.0854","","","0.2258","0.2429","","","","","","1.017","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029113","12.883","0.001","12.901","0.001","13.998","0.0011","113.895","0.001","109.77","0.001","93.747","0.001","1945.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 O S4 Si4 -","- C28 H40 O0.99 S4 Si4 -","- C56 H80 O1.98 S8 Si8 -","2","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.1201","0.0873","","","0.2557","0.2804","","","","","","1.077","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029114","9.8848","0.0019","10.654","0.002","19.076","0.004","90","","103.334","0.004","90","","1954.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O5 -","- C24 H18 N2 O5 -","- C96 H72 N8 O20 -","4","1","","Gai, Sinan; Zhang, Qing; Hu, Xiangdong","Total synthesis of asterredione.","The Journal of organic chemistry","2014","79","5","2111","2114","10.1021/jo4028177","","","0.71073","MoKα","","0.1368","0.0576","","","0.0984","0.1263","","","","","","1.003","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029115","22.236","0.005","11.456","0.003","8.0141","0.0017","90","","95.857","0.003","90","","2030.8","0.8","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 F N O4 S -","- C21 H24 F N O4 S -","- C84 H96 F4 N4 O16 S4 -","4","1","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B.; Singarapu, Kiran Kumar","Prins Cascade Cyclization for the Synthesis of 1,9-Dioxa-4-azaspiro[5.5]undecane Derivatives.","The Journal of organic chemistry","2014","79","5","2289","2295","10.1021/jo4027534","","","0.71073","MoKα","","0.0801","0.065","","","0.1642","0.1761","","","","","","1.073","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029116","12.781","0.005","14.374","0.005","14.946","0.007","90","","107.124","0.013","90","","2624.1","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O8 -","- C27 H32 N2 O8 -","- C108 H128 N8 O32 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0367","0.0353","","","0.0944","0.096","","","","","","1.041","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029117","7.79","0.001","14.768","0.001","21.795","0.002","90","","91.934","0.006","90","","2505.9","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O9 -","- C25 H29 N3 O9 -","- C100 H116 N12 O36 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.0787","0.0593","","","0.133","0.1379","","","","","","1.014","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029118","12.563","0.0008","21.5829","0.0013","9.2102","0.0006","90","","106.995","0.005","90","","2388.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl N2 O6 -","- C24 H31 Cl N2 O6 -","- C96 H124 Cl4 N8 O24 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5418","CuKα","","0.0634","0.0587","","","0.14","0.1421","","","","","","1.008","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029119","13.49","0.003","14.415","0.003","16.347","0.003","69.791","0.015","84.884","0.016","88.811","0.014","2971.1","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O6 S -","- C31 H34 N2 O6 S -","- C124 H136 N8 O24 S4 -","4","2","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.1041","0.081","","","0.2167","0.2331","","","","","","1.093","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029120","9.426","0.006","11.63","0.004","12.474","0.005","80.31","0.03","83.65","0.06","81.13","0.05","1326.8","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl3 N2 O6 -","- C25 H29 Cl3 N2 O6 -","- C50 H58 Cl6 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54187","CuKα","","0.0553","0.05","","","0.1296","0.1346","","","","","","1.017","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029121","8.005","","14.308","","20.389","","84.31","","85.91","","83.79","","2305.78","","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H61 N4 O12.5 -","- C48 H61.2 N4 O12.6 -","- C96 H122.4 N8 O25.2 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54187","CuKα","","0.0476","0.0381","","","0.1042","0.1085","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029122","9.393","0.002","11.183","0.003","14.185","0.002","75.57","0.03","71.46","0.04","80.53","0.04","1362.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl3 N2 O6 -","- C25 H29 Cl3 N2 O6 -","- C50 H58 Cl6 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0553","0.0497","","","0.1416","0.1485","","","","","","1.054","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029123","9.505","0.005","10.865","0.005","12.959","0.006","112.6","0.03","99.94","0.04","95.09","0.04","1199.2","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Br N2 O6 -","- C25 H29 Br N2 O6 -","- C50 H58 Br2 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.1552","0.1141","","","0.2167","0.2423","","","","","","1.051","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029124","10.0459","0.0009","10.3718","0.0009","12.8237","0.0011","96.672","0.006","91.767","0.007","101.295","0.006","1299.4","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N5 O6 -","- C25 H29 N5 O6 -","- C50 H58 N10 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.0721","0.0673","","","0.1535","0.1569","","","","","","1.055","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029125","5.764","0.005","11.669","0.01","21.43","0.019","90.02","0.02","95.25","0.03","97.5","0.05","1423","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cl3 N3 O7 -","- C25 H32 Cl3 N3 O7 -","- C50 H64 Cl6 N6 O14 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0706","0.064","","","0.1731","0.18","","","","","","1.034","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029126","18.056","0.007","20.067","0.009","29.141","0.009","90","","103.002","0.008","90","","10288","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.21 H128.41 Cl0.41 N12 O22 -","- C104.205 H128.41 Cl0.41 N12 O22 -","- C416.82 H513.64 Cl1.64 N48 O88 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.1055","0.072","","","0.1794","0.1934","","","","","","1.038","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029127","14.965","0.003","9.4631","0.0016","19.478","0.004","90","","92.257","0.007","90","","2756.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Br Cl3 N2 O6 -","- C25 H28 Br Cl3 N2 O6 -","- C100 H112 Br4 Cl12 N8 O24 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0566","0.0527","","","0.1362","0.1419","","","","","","1.055","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029128","8.6054","0.0015","10.8438","0.0019","12.533","0.002","109.706","0.003","96.255","0.004","91.632","0.004","1091.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 F3 O3 -","- C24 H23 F3 O3 -","- C48 H46 F6 O6 -","2","1","","Chong, Qinglei; Xin, Xiaoyi; Wang, Chunxiang; Wu, Fan; Wang, Haolong; Shi, Ji-Cheng; Wan, Boshun","DABCO-Catalyzed Synthesis of Trifluoromethylated Furans from Propargyl Alcohols and Methyl 2-Perfluoroalkynoate.","The Journal of organic chemistry","2014","79","5","2105","2110","10.1021/jo4028424","","","0.71073","MoKα","","0.0998","0.0697","","","0.1893","0.2181","","","","","","1.011","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029129","13.942","0.003","14.382","0.003","15.52","0.003","68.08","0.03","71.71","0.03","71.78","0.03","2672.8","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H20 Cl9 N O9 -","- C73 H20 Cl9 N O9 -","- C146 H40 Cl18 N2 O18 -","2","1","","Yu, Yuming; Xu, Liang; Huang, Xincheng; Gan, Liangbing","Near-Infrared Absorbing Compounds Based on π-Extended Tetrathiafulvalene Open-Cage Fullerenes.","The Journal of organic chemistry","2014","79","5","2156","2162","10.1021/jo5000048","","","0.71073","MoKα","","0.1821","0.1397","","","0.3273","0.3451","","","","","","1.761","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029130","13.809","0.004","14.082","0.004","16.063","0.005","100.669","0.003","106.061","0.002","107.353","0.003","2740.4","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H54 Cl8 N10 O6 -","- C166 H54 Cl8 N10 O6 -","- C166 H54 Cl8 N10 O6 -","1","0.5","","Yu, Yuming; Xu, Liang; Huang, Xincheng; Gan, Liangbing","Near-Infrared Absorbing Compounds Based on π-Extended Tetrathiafulvalene Open-Cage Fullerenes.","The Journal of organic chemistry","2014","79","5","2156","2162","10.1021/jo5000048","","","0.71073","MoKα","","0.0795","0.0707","","","0.1793","0.186","","","","","","1.105","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029131","11.475","0.0005","19.3971","0.0016","9.409","0.0008","90","","102.287","0.005","90","","2046.3","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0435","0.0328","","","0.0754","0.0847","","","","","","1.086","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029132","12.2601","0.0009","9.4289","0.0006","16.688","0.0004","90","","123.062","0.005","90","","1616.76","0.19","150","1","150","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C34 H42 N4 S2 -","- C34 H42 N4 S2 -","- C68 H84 N8 S4 -","2","0.5","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0376","0.0306","","","0.0775","0.0857","","","","","","1.073","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029133","11.346","0.0006","12.6179","0.0009","13.123","0.0008","90","","120.487","0.004","90","","1618.98","0.19","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N4 S2 -","- C18 H10 N4 S2 -","- C72 H40 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0387","0.0313","","","0.0731","0.0793","","","","","","1.097","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029134","12.012","","28.901","","8.702","","90","","105.7","","90","","2908.27","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H46 N4 S2 -","- C30 N4 S2 -","- C120 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0664","0.0547","","","0.1514","0.1638","","","","","","1.227","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029135","22.783","0.003","22.783","0.003","5.7864","0.0011","90","","90","","90","","3003.5","0.8","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C19 H19 N2 O1.5 -","- C19 H16 N2 -","- C152 H128 N16 -","8","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.0699","0.0597","","","0.1485","0.1522","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029136","10.826","0.004","16.541","0.007","17.451","0.007","90","","96.945","0.009","90","","3102","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 N2 -","- C19 H13 F3 N2 -","- C152 H104 F24 N16 -","8","2","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.0991","0.0511","","","0.0896","0.1027","","","","","","0.877","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029137","8.548","0.002","9.543","0.002","19.894","0.005","88.27","0.005","81.218","0.006","82.774","0.005","1591","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F3 N2 S -","- C16 H17 F3 N2 S -","- C64 H68 F12 N8 S4 -","4","2","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.1188","0.0645","","","0.1217","0.1436","","","","","","0.896","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029138","9.5265","0.0015","9.5816","0.0015","12.88","0.002","70.575","0.003","70.337","0.004","84.964","0.003","1043.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 F3 N3 -","- C26 H18 F3 N3 -","- C52 H36 F6 N6 -","2","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.1219","0.0723","","","0.153","0.178","","","","","","0.896","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029139","16.927","0.016","4.693","0.005","21.28","0.02","90","","110.54","0.02","90","","1583","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F3 N2 -","- C18 H19 F3 N2 -","- C72 H76 F12 N8 -","4","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.2318","0.0722","","","0.1216","0.1655","","","","","","0.782","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029140","13.0853","0.0013","11.4562","0.0012","20.7283","0.0019","90","","90","","90","","3107.3","0.5","170","2","170","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H24 N4 O3 -","- C15 H24 N4 O3 -","- C120 H192 N32 O24 -","8","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.1347","0.049","","","0.0706","0.0847","","","","","","0.842","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029141","13.4633","0.0018","13.1738","0.0015","10.3885","0.0014","90","","94.933","0.011","90","","1835.7","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N5 O3 -","- C19 H25 N5 O3 -","- C76 H100 N20 O12 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.2508","0.065","","","0.0685","0.1086","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029142","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","","0.71073","MoKα","","0.0755","0.0555","","","0.1346","0.143","","","","","","1.07","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029143","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0756","0.0556","","","0.1356","0.1441","","","","","","1.074","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029144","19.9358","0.0019","8.2953","0.0006","14.579","0.0014","90","","106.925","0.011","90","","2306.6","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H37 Br N4 O5 -","- C21 H37 Br N4 O5 -","- C84 H148 Br4 N16 O20 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.056","0.0394","","","0.0661","0.0711","","","","","","0.909","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029145","7.0723","0.0002","9.7167","0.0003","30.2173","0.0012","90","","97.09","0.004","90","","2060.64","0.12","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Br N4 O2 -","- C19 H33 Br N4 O2 -","- C76 H132 Br4 N16 O8 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0659","0.033","","","0.0596","0.063","","","","","","0.858","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029146","8.5713","0.0006","16.2981","0.0009","10.6625","0.0008","90","","104.402","0.008","90","","1442.7","0.18","170","2","170","2","","","100","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H44 Br2 N4 O3 -","- C28 H44 Br2 N4 O3 -","- C56 H88 Br4 N8 O6 -","2","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0473","0.0355","","","0.059","0.0616","","","","","","0.905","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029147","8.9495","0.0016","13.606","0.002","25.842","0.005","77.317","0.015","82.748","0.014","89.651","0.014","3044.6","0.9","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl2 Cu N4 O9 -","- C26 H38 Cl2 Cu N4 O9 -","- C104 H152 Cl8 Cu4 N16 O36 -","4","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.3102","0.0886","","","0.1355","0.2101","","","","","","0.853","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029148","13.3503","0.0014","14.8457","0.0014","15.8604","0.0014","92.71","0.007","94.643","0.008","110.551","0.009","2924.1","0.5","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H78 Br2 Cl2 Cu2 N8 O11 -","- C52 H78 Br2 Cl2 Cu2 N8 O11 -","- C104 H156 Br4 Cl4 Cu4 N16 O22 -","2","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.1745","0.0853","","","0.2167","0.248","","","","","","0.882","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029149","8.6196","0.0008","30.658","0.002","8.3348","0.0009","90","","118.123","0.013","90","","1942.5","0.4","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 Cu N4 O9 -","- C12 H28 Cl2 Cu N4 O9 -","- C48 H112 Cl8 Cu4 N16 O36 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0749","0.0468","","","0.0987","0.1068","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029150","13.0582","0.0009","10.94","0.0007","20.2904","0.0013","90","","91.285","0.006","90","","2897.9","0.3","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Br Cl Cu N4 O5 -","- C28 H42 Br Cl Cu N4 O5 -","- C112 H168 Br4 Cl4 Cu4 N16 O20 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.2068","0.0802","","","0.1071","0.1445","","","","","","1.008","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029151","17.4301","0.0008","16.1897","0.0006","6.7149","0.0003","90","","112.144","0.005","90","","1755.1","0.14","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Substitution Controlled Functionalization of ortho-Bromobenzylic Alcohols via Palladium Catalysis: Synthesis of Chromenes and Indenols.","The Journal of organic chemistry","2014","79","5","2059","2074","10.1021/jo402763m","","","1.54184","CuKα","","0.0521","0.047","","","0.1194","0.1347","","","","","","0.953","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029152","9.4414","0.0008","11.806","0.001","13.625","0.0018","111.028","0.002","109.779","0.002","96.138","0.001","1288.1","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Br2 O4 -","- C32 H22 Br2 O4 -","- C64 H44 Br4 O8 -","2","1","","Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying","Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.","The Journal of organic chemistry","2014","79","5","2075","2081","10.1021/jo4027758","","","0.71073","MoKα","","0.0317","0.026","","","0.06","0.0623","","","","","","1.034","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029153","33.16","0.004","9.213","0.0013","15.474","0.002","90","","97.427","0.002","90","","4687.7","1.1","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C256 H192 O32 -","8","1","","Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying","Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.","The Journal of organic chemistry","2014","79","5","2075","2081","10.1021/jo4027758","","","0.71073","MoKα","","0.0648","0.0448","","","0.0967","0.1058","","","","","","1.035","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029154","21.074","0.003","21.074","0.003","4.5777","0.0009","90","","90","","90","","2033","0.6","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.085","0.0799","","","0.1595","0.1657","","","","","","1.177","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029155","13.0408","0.0018","13.0408","0.0018","13.176","0.003","90","","90","","90","","2240.7","0.7","173","2","173","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C20 H16 Cl4 N12 -","- C20 H16 Cl4 N12 -","- C80 H64 Cl16 N48 -","4","0.25","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.041","0.0408","","","0.0939","0.094","","","","","","1.323","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029156","21.1267","0.0013","21.1267","0.0013","4.6047","0.0003","90","","90","","90","","2055.3","0.2","173","2","173","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0994","0.0882","","","0.1973","0.2045","","","","","","1.119","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029157","11.881","0.002","10.039","0.002","17.273","0.004","90","","91.42","0.03","90","","2059.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0634","0.0548","","","0.1696","0.1946","","","","","","1.189","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029158","10.422","0.002","10.12","0.002","20.745","0.004","90","","98.89","0.03","90","","2161.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N12 -","- C20 H18 Cl2 N12 -","- C80 H72 Cl8 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0839","0.0764","","","0.2363","0.2564","","","","","","1.154","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029159","11.842","0.002","10.406","0.002","20.383","0.006","90","","123.8","0.02","90","","2087.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br F N12 -","- C20 H18 Br F N12 -","- C80 H72 Br4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0514","0.0487","","","0.0996","0.1006","","","","","","1.245","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029160","17.041","0.005","9.345","0.003","19.211","0.006","90","","100.886","0.004","90","","3004.3","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 N O4 S2 -","- C37 H31 N O4 S2 -","- C148 H124 N4 O16 S8 -","4","1","","Li, Yang-Yang; Lu, Hai-Yan; Li, Meng; Li, Xiao-Jun; Chen, Chuan-Feng","Dihydroindeno[2,1-c]fluorene-Based Imide Dyes: Synthesis, Structures, Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2014","79","5","2139","2147","10.1021/jo4028616","","","0.71073","MoKα","","0.1004","0.0793","","","0.1621","0.1741","","","","","","1.101","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029161","8.1755","0.0007","11.8379","0.001","17.2853","0.0014","90","","100.316","0.001","90","","1645.8","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.088","0.0472","","","0.0943","0.109","","","","","","0.994","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029162","5.7192","0.0006","7.2557","0.0008","14.5967","0.0016","77.856","0.002","82.245","0.001","89.748","0.001","586.57","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C30 H20 Cl2 N2 O2 -","2","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.072","0.0452","","","0.101","0.1278","","","","","","1.061","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029163","9.94","0.0006","17.2417","0.0011","8.54","0.0005","90","","114.337","0.001","90","","1333.55","0.14","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.0564","0.0429","","","0.1056","0.1147","","","","","","1.046","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029164","12.8085","0.0004","15.4038","0.0005","28.8727","0.0012","84.217","0.003","82.467","0.003","87.202","0.003","5615","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H58 N12 O15 -","- C51 H58 N12 O15 -","- C204 H232 N48 O60 -","4","2","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1705","0.0762","","","0.2042","0.2479","","","","","","0.934","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029165","11.4144","0.0006","16.9099","0.0011","17.2091","0.0011","115.692","0.007","100.539","0.005","98.828","0.005","2839.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H118 N24 O34 S -","- C102 H118 N24 O34 S -","- C102 H118 N24 O34 S -","1","0.5","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1395","0.0838","","","0.2758","0.3383","","","","","","1.052","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029166","11.3397","0.001","18.6819","0.0017","18.769","0.0016","103.7","0.003","106.612","0.003","98.493","0.003","3601.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H79 N11 O19 S -","- C61 H79 N11 O19 S -","- C122 H158 N22 O38 S2 -","2","1","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1905","0.088","","","0.2338","0.2755","","","","","","0.99","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029167","17.3549","0.0009","17.3549","0.0009","22.6324","0.0012","90","","90","","120","","5903.4","0.5","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H84 K2 N20 O51 P -","- C90 H84 K2.02 N20 O51 P -","- C180 H168 K4.04 N40 O102 P2 -","2","0.166667","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1706","0.0966","","","0.274","0.3437","","","","","","1.034","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029168","18.3034","0.0014","18.3034","0.0014","40.426","0.008","90","","90","","120","","11729","3","298","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C46 H42 N10 O15 -","- C46 H42 N10 O15 -","- C276 H252 N60 O90 -","6","0.333333","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1723","0.0981","","","0.26","0.2882","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029169","6.054","0.0007","9.948","0.0014","20.427","0.003","90","","90","","90","","1230.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.1589","0.0913","","","0.1901","0.2263","","","","","","1.098","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029170","6.5512","0.0005","10.8875","0.0012","9.1118","0.0008","90","","105.048","0.005","90","","627.62","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0579","0.0421","","","0.0968","0.1035","","","","","","1.088","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029171","5.8457","0.0004","7.8597","0.0005","13.8602","0.0009","90","","96.64","0.004","90","","632.54","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0604","0.0436","","","0.1124","0.1263","","","","","","0.969","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029172","5.761","0.0002","15.919","0.0008","6.736","0.0003","90","","97.77","0.002","90","","612.08","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.035","0.0315","","","0.0721","0.0749","","","","","","1.08","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029173","10.2844","0.001","10.4765","0.001","12.2306","0.0012","67.419","0.002","65.621","0.002","68.528","0.002","1073.99","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Matsuda, Takanori; Sakurai, Yusuke","Gold(I)-catalyzed ring-expanding spiroannulation of cyclopropenones with enynes.","The Journal of organic chemistry","2014","79","6","2739","2745","10.1021/jo500045n","","","0.71073","MoKα","","0.0587","0.0483","","","0.1509","0.1774","","","","","","0.661","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029174","7.8008","0.0002","20.418","0.0004","23.6928","0.0017","90","","90","","90","","3773.7","0.3","260","0.02","260","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N O5 S2 -","- C39 H45 N O5 S2 -","- C156 H180 N4 O20 S8 -","4","1","","Padungros, Panuwat; Alberch, Laura; Wei, Alexander","Glycosyl Dithiocarbamates: β-Selective Couplings without Auxiliary Groups.","The Journal of organic chemistry","2014","79","6","2611","2624","10.1021/jo500032k","","","1.54184","CU-Kα","","0.066","0.039","","","0.084","0.111","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029175","12.898","0.007","8.464","0.004","15.905","0.008","90","","112.144","0.006","90","","1608.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone, 4'-desmethoxykealiiquinone, and 2-deoxykealiiquinone.","The Journal of organic chemistry","2014","79","6","2481","2490","10.1021/jo4027337","","","0.71073","MoKα","","0.085","0.0552","","","0.1461","0.1594","","","","","","1.021","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029176","10.4466","0.0011","9.6937","0.001","14.9923","0.0016","90","","105.916","0.002","90","","1460","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aS*,4R*,7aS*)-4-(2,5-Dimethoxyphenyl)hexahydro-2H-thieno[3,2-c]pyran","","- C15 H20 O3 S -","- C15 H20 O3 S -","- C60 H80 O12 S4 -","4","1","","Subba Reddy, B. V.; Venkateswarlu, A.; Borkar, Prashant; Yadav, J. S.; Sridhar, B.; Grée, René","Tuning the Reactivity of Oxygen/Sulfur by Acidity of the Catalyst in Prins Cyclization: Oxa- versus Thia-Selectivity.","The Journal of organic chemistry","2014","79","6","2716","2722","10.1021/jo402832t","","","0.71073","MoKα","","0.0451","0.0415","","","0.111","0.1145","","","","","","1.053","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029177","5.9223","0.0002","7.4335","0.0002","46.204","0.001","90","","90","","90","","2034.06","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 O7 P -","- C21 H27 O7 P -","- C84 H108 O28 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0784","0.0563","","","0.095","0.1028","","","","","","1.112","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029178","9.8635","0.0005","9.864","","20.2533","0.0013","90","","90","","90","","1970.52","0.16","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N O6 P -","- C18 H26 N O6 P -","- C72 H104 N4 O24 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0555","0.0412","","","0.0765","0.0809","","","","","","0.937","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029179","10.2658","0.0002","14.8585","0.0003","17.0388","0.0004","90","","100.905","0.0013","90","","2552.07","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl F6 N2 O P -","- C24 H31 Cl F6 N2 O P -","- C96 H124 Cl4 F24 N8 O4 P4 -","4","2","","Takeda, Momotaro; Takatsu, Keishi; Shintani, Ryo; Hayashi, Tamio","Synthesis of quaternary carbon stereocenters by copper-catalyzed asymmetric allylic substitution of allyl phosphates with arylboronates.","The Journal of organic chemistry","2014","79","6","2354","2367","10.1021/jo500068p","","","1.54187","CuKα","","0.0966","0.0689","","","0.1706","0.1901","","","","","","1.095","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029180","7.5132","0.0004","12.001","0.0009","13.375","0.0009","78.084","0.006","79.26","0.005","73.336","0.006","1119.98","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0902","0.0576","","","0.1321","0.1522","","","","","","1.029","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029181","21.9005","0.0008","11.9505","0.0004","21.1324","0.0009","90","","104.066","0.004","90","","5365","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C264 H320 O32 -","8","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0872","0.0524","","","0.1057","0.1234","","","","","","1.029","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029182","15.2492","0.0004","7.6175","0.0002","23.1871","0.0006","90","","91.092","0.002","90","","2692.94","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0789","0.051","","","0.1069","0.1224","","","","","","1.021","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029183","10.322","0.003","11.312","0.004","18.663","0.006","90","","90","","90","","2179.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Boc-Ala-S-)2","","","- C16 H28 N2 O6 S2 -","- C16 H28 N2 O6 S2 -","- C64 H112 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","","0.71073","MoKα","","0.1518","0.0684","","","0.117","0.1484","","","","","","0.943","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029184","23.375","0.011","9.575","0.004","10.58","0.005","90","","90","","90","","2368","1.9","100","2","100","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","(Boc-Aib-S)2","","","- C18 H32 N2 O6 S2 -","- C18 H32 N2 O6 S2 -","- C72 H128 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","x-ray","0.71073","MoKα","","0.0748","0.0386","","","0.068","0.0767","","","","","","0.766","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029185","8.3861","0.0014","8.3872","0.0014","9.008","0.0016","95.574","0.012","100.912","0.012","112.227","0.011","565.89","0.18","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C24 H20 Br2 N2 O2 -","2","1","","Lin, Mei-Huey; Huang, Yen-Chih; Kuo, Chung-Kai; Tsai, Chang-Hsien; Li, Yi-Syuan; Hu, Ting-Chia; Chuang, Tsung-Hsun","γ-Halo-enones: A Method for their Synthesis from Arylacyl Halides and Their Application to the Preparation of Five-Membered Ring Heterocycles.","The Journal of organic chemistry","2014","79","6","2751","2757","10.1021/jo5001274","","","0.71073","MoKα","","0.0551","0.0341","","","0.0769","0.0846","","","","","","1.007","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029186","10.463","0.003","12.044","0.004","10.74","0.004","90","","118.36","0.02","90","","1191","0.7","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl3 O -","- C11 H9 Cl3 O -","- C44 H36 Cl12 O4 -","4","1","","Lin, Mei-Huey; Huang, Yen-Chih; Kuo, Chung-Kai; Tsai, Chang-Hsien; Li, Yi-Syuan; Hu, Ting-Chia; Chuang, Tsung-Hsun","γ-Halo-enones: A Method for their Synthesis from Arylacyl Halides and Their Application to the Preparation of Five-Membered Ring Heterocycles.","The Journal of organic chemistry","2014","79","6","2751","2757","10.1021/jo5001274","","","0.71073","MoKα","","0.0753","0.0397","","","0.1241","0.1543","","","","","","0.89","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029187","12.237","0.004","12.745","0.004","17.157","0.006","79.464","0.006","89.857","0.006","65.497","0.005","2385.7","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H44 N4 O4.5 -","- C62 H44 N4 O4.5 -","- C124 H88 N8 O9 -","2","1","","Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi","Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state.","The Journal of organic chemistry","2014","79","6","2729","2732","10.1021/jo402884a","","","0.71073","MoKα","","0.1588","0.0615","","","0.1291","0.1738","","","","","","0.951","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029188","12.024","0.003","12.744","0.003","18.613","0.005","97.529","0.004","98.367","0.004","115.203","0.003","2493.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H46 N4 O4 -","- C66 H46 N4 O4 -","- C132 H92 N8 O8 -","2","1","","Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi","Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state.","The Journal of organic chemistry","2014","79","6","2729","2732","10.1021/jo402884a","","","0.71073","MoKα","","0.1294","0.0554","","","0.1236","0.1611","","","","","","0.971","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029189","14.469","0.002","5.222","0.0007","10.7063","0.0012","90","","91.703","0.005","90","","808.58","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","","0.71073","MoKα","","0.057","0.038","","","0.0807","0.0864","","","","","","1.123","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029190","14.882","0.004","15.8","0.004","25.597","0.007","74.962","0.003","85.165","0.003","66.031","0.003","5310","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C101 H104 Cl6 N8 O18 Pd S4 Si2 -","- C101 H104 Cl6 N8 O18 Pd S4 Si2 -","- C202 H208 Cl12 N16 O36 Pd2 S8 Si4 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","","0.1345","0.1189","","","0.2544","0.2628","","","","","","1.227","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029191","9.969","0.008","15.383","0.012","15.774","0.015","110.732","0.014","108.3","0.01","100.249","0.01","2031","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H38 Cl2 N4 O5 S2 -","- C44 H36 N4 O5 S2 -","- C88 H72 N8 O10 S4 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","","0.0633","0.0528","","","0.1608","0.1711","","","","","","1.02","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029192","12.7356","0.0011","27.212","0.002","15.5575","0.0012","90","","105.497","0.002","90","","5195.6","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 Cl2 N5 O9 S3 Si -","- C50 H55 Cl2 N5 O9 S3 Si -","- C200 H220 Cl8 N20 O36 S12 Si4 -","4","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","K-L~3~","0.0638","0.0395","","","0.0874","0.0995","","","","","","1.018","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029193","6.364","0.0003","14.8688","0.0007","15.0929","0.0007","115.087","0.003","94.217","0.003","99.764","0.003","1257.67","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O3 -","- C32 H28 N2 O3 -","- C64 H56 N4 O6 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","1.54178","CuKα","K-L~3~","0.0567","0.0445","","","0.1126","0.1207","","","","","","1.069","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029194","22.7985","0.0006","5.4732","0.0001","25.1189","0.0005","90","","90.3016","0.0018","90","","3134.31","0.12","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","1","","Nakanishi, Kentaro; Sasamori, Takahiro; Kuramochi, Kouji; Tokitoh, Norihiro; Kawabata, Takeo; Tsubaki, Kazunori","Synthesis and properties of butterfly-shaped expanded naphthofuran derivatives.","The Journal of organic chemistry","2014","79","6","2625","2631","10.1021/jo500085a","","","0.71075","MoKα","","0.0506","0.0467","","","0.1194","0.1226","","","","","","1.067","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029195","6.764","0.0011","10.571","0.0017","15.916","0.003","90","","93.658","0.002","90","","1135.7","0.3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Suzuki, Takahiro; Okuyama, Hiroshi; Takano, Atsuhiro; Suzuki, Shinya; Shimizu, Isao; Kobayashi, Susumu","Synthesis of Dibarrelane, a Dibicyclo[2.2.2]octane Hydrocarbon.","The Journal of organic chemistry","2014","79","6","2803","2808","10.1021/jo5003455","","","0.71073","MoKα","","0.0671","0.0639","","","0.1699","0.1735","","","","","","1.045","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029196","7.2254","0.0004","20.6292","0.0012","11.4979","0.0007","90","","106.716","0.001","90","","1641.39","0.17","90","2","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.043","0.033","","","0.0878","0.0948","","","","","","1.032","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029197","9.7237","0.0011","18.257","0.002","19.364","0.002","90","","91.061","0.001","90","","3437","0.6","90","2","90","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","4","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.033","0.0306","","","0.0757","0.0775","","","","","","1.043","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029198","9.252","0.0006","19.5079","0.0012","10.9612","0.0007","90","","112.651","0.001","90","","1825.8","0.2","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0259","0.0249","","","0.064","0.065","","","","","","1.056","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029199","12.3792","0.0004","13.7629","0.0004","14.2146","0.0004","61.678","0.001","87.308","0.001","82.561","0.001","2113.66","0.11","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.083 H20.166 Cl0.166 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","2","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","1.54178","CuKα","","0.0499","0.0462","","","0.1223","0.1248","","","","","","1.043","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029200","7.6276","0.0008","10.0615","0.001","13.8356","0.0014","87.1409","0.0013","80.4019","0.0014","85.7471","0.0013","1043.31","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C44 H54 N2 O12 S2 -","2","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0297","0.0284","","","0.0772","0.0783","","","","","","1.032","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029201","8.635","0.002","14.029","0.004","28.189","0.007","90","","90","","90","","3414.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0339","0.0308","","","0.0804","0.083","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029202","7.6123","0.0002","12.0814","0.0003","22.5696","0.0005","83.4051","0.0013","83.9689","0.0012","76.2855","0.0012","1996.62","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N4 O8 -","- C47 H40 N4 O8 -","- C94 H80 N8 O16 -","2","1","","Kakeya, Kazuhisa; Aozasa, Masakatsu; Mizutani, Tadashi; Hitomi, Yutaka; Kodera, Masahito","Nucleophilic Ring Opening of meso-Substituted 5-Oxaporphyrin by Oxygen, Nitrogen, Sulfur, and Carbon Nucleophiles.","The Journal of organic chemistry","2014","79","6","2591","2600","10.1021/jo5000412","","","1.54187","CuK\/Ya","","0.0811","0.056","","","0.1482","0.1753","","","","","","1.093","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029204","10.5387","0.0004","12.2952","0.0006","13.308","0.0005","117.374","0.004","90.911","0.003","111.778","0.004","1385.17","0.13","295","","295","","","","","","","","","3","P -1","-P 1","2","kingianin precursor","","","- C34 H36 O6 -","- C34 H36 O6 -","- C68 H72 O12 -","2","1","","Lim, Hee Nam; Parker, Kathlyn A.","Intermolecular Radical Cation Diels-Alder (RCDA) Reaction of Bicyclooctadienes: Biomimetic Formal Total Synthesis of Kingianin A and Total Syntheses of Kingianins D, F, H, and J.","The Journal of organic chemistry","2014","79","3","919","","10.1021/jo402082y","","","1.5418","CuKα","","0.0535","0.0427","","","0.1145","0.1246","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029205","8.8266","0.0015","15.669","0.003","16.195","0.003","105.691","0.0015","101.137","0.003","97.772","0.002","2073.7","0.7","127","","127","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H56 S3 Si8 -","- C26 H56 S3 Si8 -","- C52 H112 S6 Si16 -","2","1","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0312","","","","0.0865","","","","","","1.046","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029206","15.679","0.003","12.9928","0.0018","24.253","0.004","90","","102.693","0.0018","90","","4819.9","1.4","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 S4 Si8 -","- C34 H62 S4 Si8 -","- C136 H248 S16 Si32 -","4","0.5","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0375","","","","0.0919","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029207","8.7738","0.0018","9.091","0.002","14.938","0.004","86.627","0.011","76.94","0.009","61.217","0.007","1015.5","0.4","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H58 S2 Si8 -","- C26 H58 S2 Si8 -","- C26 H58 S2 Si8 -","1","0.5","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0325","","","","0.0832","","","","","","1.08","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029208","7.3954","0.0003","18.5356","0.0008","11.7063","0.0005","90","","98.174","0.002","90","","1588.38","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.0587","0.0471","","","0.1918","0.2173","","","","","","0.963","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029209","7.316","0.0003","19.1541","0.0007","9.9831","0.0003","90","","123.731","0.002","90","","1163.44","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.1538","0.0735","","","0.1127","0.1167","","","","","","2.644","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029210","18.721","0.003","7.6048","0.0009","10.974","0.0014","90","","105.078","0.004","90","","1508.6","0.4","159","2","159","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Fe N O -","- C17 H21 Fe N O -","- C68 H84 Fe4 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.0528","0.0473","","","0.124","0.13","","","","","","1.088","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4029211","13.008","0.0005","12.3345","0.0007","13.6514","0.0005","90","","101.532","0.003","90","","2146.11","0.17","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C116 H76 N12 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0543","0.0468","","","0.0908","0.0941","","","","","","0.997","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029212","12.344","0.0006","9.313","0.0005","18.3365","0.0009","90","","105.625","0.004","90","","2030.06","0.18","253","2","253","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N4 -","- C27 H16 N4 -","- C108 H64 N16 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0449","0.0399","","","0.1034","0.1071","","","","","","1.019","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029213","14.727","0.0011","17.0452","0.0007","8.0627","0.0006","90","","104.659","0.008","90","","1958.1","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C104 H76 N12 O4 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0524","0.0342","","","0.0853","0.0907","","","","","","0.97","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029214","11.0463","0.0005","17.4093","0.0006","9.5507","0.0005","90","","110.929","0.004","90","","1715.5","0.14","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O S -","- C21 H14 N2 O S -","- C84 H56 N8 O4 S4 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0616","0.0579","","","0.1606","0.1646","","","","","","1.167","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029215","7.8354","0.0002","16.7282","0.0005","17.0838","0.0005","90","","90","","90","","2239.21","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0388","0.0332","","0.0787","0.076","0.0787","","","","","","1.0277","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029216","10.3113","0.0001","15.9233","0.0002","17.7014","0.0003","90","","90","","90","","2906.39","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","2","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0393","0.0339","","0.0801","0.0777","0.0801","","","","","","1.0123","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029217","13.798","0.004","9.8024","0.0018","21.099","0.006","90","","107.461","0.008","90","","2722.2","1.2","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N3 O11 -","- C27 H31 N3 O11 -","- C108 H124 N12 O44 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1367","0.071","","0.1971","0.1485","0.1971","","","","","","1.027","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029218","13.1092","0.0003","7.6887","0.0001","22.7914","0.0004","90","","96.0419","0.0009","90","","2284.45","0.07","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O4 -","- C13 H11 N O4 -","- C104 H88 N8 O32 -","8","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0464","0.033","","0.0397","0.0364","0.0364","","","","","","1.1443","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029219","8.2762","0.0003","23.8663","0.0011","14.7994","0.0007","90","","90.02","0.002","90","","2923.2","0.2","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","2","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.2065","0.0688","","0.1541","0.1099","0.1541","","","","","","0.9467","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029220","16.1476","0.0003","9.4116","0.0001","23.5383","0.0005","90","","109.522","0.001","90","","3371.58","0.1","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 N3 O8 -","- C41 H35 N3 O8 -","- C164 H140 N12 O32 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0663","0.0501","","0.1275","0.1195","0.1275","","","","","","0.9617","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029221","11.6839","0.0004","6.7445","0.0002","18.861","0.0006","90","","102.552","0.002","90","","1450.76","0.08","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.056","0.0398","","0.0982","0.0904","0.0982","","","","","","0.9952","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029222","11.9348","0.0003","6.0568","0.0002","15.6499","0.0005","90","","90","","90","","1131.28","0.06","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.03","0.0256","","0.0325","0.0296","0.0296","","","","","","1.1834","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029223","8.711","0.0002","8.6675","0.0002","19.1924","0.0005","90","","91.7908","0.0014","90","","1448.37","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0463","0.039","","0.1023","0.098","0.1023","","","","","","1.0217","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029224","12.2122","0.0004","9.272","0.0002","19.8137","0.0008","90","","90","","90","","2243.54","0.13","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","0.5","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1065","0.0755","","0.1627","0.1504","0.1627","","","","","","1.0193","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029225","5.8152","0.0007","14.74","0.0017","18.259","0.002","90","","90","","90","","1565.1","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl F N O S -","- C14 H19 Cl F N O S -","- C56 H76 Cl4 F4 N4 O4 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0488","0.0456","","","0.1238","0.1266","","","","","","1.084","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029226","11.2581","0.0013","22.546","0.003","34.795","0.004","90","","90","","90","","8831.8","1.9","293","2","293","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl F N O2 S -","- C23 H21 Cl F N O2 S -","- C368 H336 Cl16 F16 N16 O32 S16 -","16","2","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0904","0.0603","","","0.1713","0.1989","","","","","","0.994","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029227","7.502","0.0009","24.273","0.003","12.3458","0.0016","90","","90","","90","","2248.1","0.5","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 F N O2 S -","- C25 H26 F N O2 S -","- C100 H104 F4 N4 O8 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0673","0.0551","","","0.1263","0.1322","","","","","","1.082","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029228","16.4375","0.0014","13.4404","0.0011","18.1129","0.0013","90","","112.239","0.003","90","","3704","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","2","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.057","0.0415","","","0.1051","0.118","","","","","","1.034","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029229","7.3516","0.0017","7.508","0.0016","12.151","0.003","84.727","0.011","81.04","0.012","70.003","0.011","622","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C28 H28 N4 O6 -","2","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0477","0.0413","","","0.119","0.1318","","","","","","1.08","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029230","13.6562","0.0012","9.0022","0.0008","12.1433","0.001","90","","106.251","0.004","90","","1433.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0522","0.0392","","","0.1144","0.1324","","","","","","1.095","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029231","9.151","0.005","10.361","0.007","18.314","0.015","90","","90","","90","","1736","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0394","0.0355","","","0.0901","0.0945","","","","","","1.088","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029232","10.278","0.005","10.278","0.005","11.406","0.007","90","","90","","120","","1043.5","1","293","2","293","2","","","","","","","","7","P 31","P 31","144","","","","- C11 H9 Cl F4 N2 O S -","- C11 H9 Cl F4 N2 O S -","- C33 H27 Cl3 F12 N6 O3 S3 -","3","1","","Yang, Kai; Liu, Li-Juan; Liu, Jin-Tao","The synthesis and strecker reaction of 2-chlorotetrafluoroethanesulfinyl ketimines.","The Journal of organic chemistry","2014","79","7","3215","3220","10.1021/jo500008e","","","0.71073","MoKα","","0.0503","0.0466","","","0.1234","0.1274","","","","","","1.068","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029233","11.464","0.0007","13.4589","0.0008","14.008","0.0008","90","","90","","90","","2161.3","0.2","90","0.1","90","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Centko, Ryan M; Williams, David E; Patrick, Brian O; Akhtar, Yasmin; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Isman, Murray B; de Silva, E Dilip; Andersen, Raymond J","Dhilirolides E-N, Meroterpenoids Produced in Culture by the Fungus Penicillium purpurogenum Collected in Sri Lanka: Structure Elucidation, Stable Isotope Feeding Studies, and Insecticidal Activity.","The Journal of organic chemistry","2014","79","8","3327","3335","10.1021/jo4024039","","","1.54178","CuKα","","0.0267","0.0264","","","0.0695","0.0698","","","","","","1.038","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029234","7.2879","0.0012","18.828","0.003","8.5038","0.0014","90","","93.045","0.006","90","","1165.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.1153","0.0564","","","0.1127","0.1387","","","","","","1.018","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029235","11.8416","0.0004","6.0888","0.0002","21.1714","0.0007","90","","105.7","0.002","90","","1469.53","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0575","0.046","","","0.1218","0.131","","","","","","1.038","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029236","9.61","0.0003","26.7655","0.0008","6.8056","0.0002","90","","105.485","0.001","90","","1686.97","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0591","0.0498","","","0.1314","0.139","","","","","","1.071","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029237","7.7337","0.0002","9.7692","0.0002","11.6204","0.0003","99.709","0.001","95.981","0.001","106.25","0.001","820.1","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 F3 N4 O4 -","- C17 H11 F3 N4 O4 -","- C34 H22 F6 N8 O8 -","2","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0698","0.0459","","","0.1128","0.1305","","","","","","1.026","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029238","12.4481","0.0014","14.0884","0.0016","9.799","0.0011","90","","121.412","0.003","90","","1466.6","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0801","0.0523","","","0.1155","0.1312","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029239","5.1685","0.0002","10.4961","0.0004","21.9445","0.0007","90","","90","","90","","1190.47","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0579","0.0369","","0.0841","0.0757","0.0841","","","","","","0.9872","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029240","4.7511","0.0005","13.5474","0.001","20.995","0.0018","90","","90","","90","","1351.3","0.2","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O7 -","- C14 H16 O7 -","- C56 H64 O28 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.1224","0.0714","","0.1255","0.1098","0.1255","","","","","","1.0061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029241","10.2259","0.0006","4.7596","0.0003","13.9296","0.0008","90","","108.834","0.003","90","","641.67","0.07","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0483","0.0395","","0.0909","0.0865","0.0909","","","","","","1.0209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029242","14.5162","0.0012","8.5913","0.001","15.467","0.0014","90","","94.824","0.007","90","","1922.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H34 N4 O -","- C49 H34 N4 O -","- C98 H68 N8 O2 -","2","0.5","","Liu, Bin; Li, Xiaofang; Maciołek, Justyna; Stępień, Marcin; Chmielewski, Piotr J","Regioselective Internal Carbonylation of the 2-Aza-21-carbaporphyrin: Access to Configurationally Stable Chiral Porphyrinoids.","The Journal of organic chemistry","2014","79","7","3129","3139","10.1021/jo500272t","","","1.54178","CuKα","","0.1543","0.0987","","","0.2186","0.2296","","","","","","1.445","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029243","14.6447","0.0015","8.4919","0.0007","15.438","0.0011","90","","94.18","0.008","90","","1914.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N4 O2 -","- C50 H34 N4 O2 -","- C100 H68 N8 O4 -","2","0.5","","Liu, Bin; Li, Xiaofang; Maciołek, Justyna; Stępień, Marcin; Chmielewski, Piotr J","Regioselective Internal Carbonylation of the 2-Aza-21-carbaporphyrin: Access to Configurationally Stable Chiral Porphyrinoids.","The Journal of organic chemistry","2014","79","7","3129","3139","10.1021/jo500272t","","","1.54178","CuKα","","0.1108","0.0838","","","0.2139","0.2374","","","","","","1.13","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029244","8.655","0.013","10.845","0.016","12.574","0.018","104.939","0.017","107.636","0.017","102.881","0.019","1027","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C52 H42 N6 O4 -","2","1","","Hao, Wenyan; Jiang, Yuanyuan; Cai, Mingzhong","Synthesis of Indolyl Imidazole Derivatives via Base-Promoted Tandem Reaction of N-[2-(1-Alkynyl)phenyl]carbodiimides with Isocyanides.","The Journal of organic chemistry","2014","79","8","3634","3640","10.1021/jo402552c","","","0.71073","MoKα","","0.1214","0.106","","","0.282","0.3004","","","","","","1.01","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029245","8.914","0.0001","8.3961","0.0001","14.3759","0.0002","90","","91.907","0.001","90","","1075.34","0.02","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","VRT-1205044","","- C21 H23 N5 O5 -","- C21 H23 N5 O5 -","- C42 H46 N10 O10 -","2","1","","Bligh, Cavan M; Anzalone, Luigi; Jung, Young Chun; Zhang, Yuegang; Nugent, William A","Preparation of both c5' epimers of 5'-C-methyladenosine: reagent control trumps substrate control.","The Journal of organic chemistry","2014","79","7","3238","3243","10.1021/jo500089t","","","1.54178","CuKα","","0.0303","0.0301","","","0.0705","0.0708","","","","","","1.141","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029246","18.255","0.008","12.344","0.005","14.056","0.006","90","","103.505","0.005","90","","3080","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","2","","Hong, Xiaohu; Wang, Hao; Qian, Guangyin; Tan, Qitao; Xu, Bin","Rhodium-catalyzed direct C-h bond cyanation of arenes with isocyanide.","The Journal of organic chemistry","2014","79","7","3228","3237","10.1021/jo500087g","","","0.71073","MoKα","","0.1367","0.0812","","","0.17","0.1966","","","","","","1.07","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029247","8.739","0.004","10.227","0.005","7.217","0.003","90","","98.656","0.009","90","","637.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N5 -","- C6 H3 N5 -","- C24 H12 N20 -","4","1","","Liu, Shanshan; Lentz, Dieter; Tzschucke, C Christoph","Conversion of pyridine N-oxides to tetrazolopyridines.","The Journal of organic chemistry","2014","79","7","3249","3254","10.1021/jo500231m","","","0.71073","MoKα","","0.0686","0.0544","","","0.1572","0.1667","","","","","","1.075","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029248","6.5888","0.0013","22.383","0.005","8.77","0.0018","90","","99.58","0.03","90","","1275.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.1042","0.0428","","","0.0761","0.0956","","","","","","0.993","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029249","6.2959","0.0009","21.648","0.003","9.8033","0.0014","90","","107.774","0.002","90","","1272.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.0603","0.0386","","","0.0907","0.1011","","","","","","1.003","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029250","9.4499","0.0011","14.5191","0.0014","24.11","0.002","90","","90","","90","","3308","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of Naphthalene Amino Esters by the Blaise Reaction of o-Alkynylarenenitriles.","The Journal of organic chemistry","2014","79","7","3244","3248","10.1021/jo500137m","","","0.71073","MoKα","","0.108","0.0603","","","0.1372","0.162","","","","","","1.013","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4029251","10.552","0.003","11.01","0.003","11.195","0.004","102.898","0.003","115.514","0.003","103.025","0.003","1065","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 F3 N3 O2 S -","- C21 H18 F3 N3 O2 S -","- C42 H36 F6 N6 O4 S2 -","2","1","","Wang, Hao; Yu, Yang; Hong, Xiaohu; Tan, Qitao; Xu, Bin","Rhodium-Catalyzed Direct ortho C-N Bond Formation of Aromatic Azo Compounds with Azides.","The Journal of organic chemistry","2014","79","7","3279","3288","10.1021/jo500412w","","","0.71073","MoKα","","0.1072","0.0794","","","0.2308","0.2577","","","","","","1.067","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029252","34.511","0.003","8.6859","0.0008","18.3438","0.0017","90","","90","","90","","5498.7","0.9","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C240 H280 N8 O16 -","8","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0763","","","","0.2328","","","","","","1.057","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029253","26.203","0.003","8.9809","0.0009","11.0665","0.0011","90","","90","","90","","2604.2","0.5","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0514","","","","0.1477","","","","","","1.071","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029254","9.34","0.003","11.0137","0.001","25.4582","0.0011","90","","90","","90","","2618.8","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","0.0576","0.0464","","","0.1239","0.1328","","","","","","1.077","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029255","34.467","0.004","16.0663","0.0018","9.5149","0.001","90","","93.017","0.007","90","","5261.6","1","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C240 H280 N8 O16 -","8","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0845","","","","0.273","","","","","","1.026","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029256","9.3007","0.00017","10.82862","0.00017","24.9809","0.0007","90","","90","","90","","2515.92","0.09","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0397","","","","0.0971","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029257","14.794","0.019","32.47","0.05","17.79","0.03","90","","100.281","0.016","90","","8408","2","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C182 H94 N14 O4 S2 -","- C182 H96 N14 O4 S2 -","- C364 H192 N28 O8 S4 -","2","0.5","","Sakaguchi, Ken-Ichi; Kamimura, Takuya; Uno, Hidemitsu; Mori, Shigeki; Ozako, Shuwa; Nobukuni, Hirofumi; Ishida, Masatoshi; Tani, Fumito","Phenothiazine-bridged cyclic porphyrin dimers as high-affinity hosts for fullerenes and linear array of c60 in self-assembled porphyrin nanotube.","The Journal of organic chemistry","2014","79","7","2980","2992","10.1021/jo500034f","","","0.71041","synchrotron","","0.1729","0.0832","","","0.2156","0.2384","","","","","","1.068","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029258","10.0257","0.0008","21.929","0.002","15.9556","0.0014","90","","91.711","0.007","90","","3506.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 I N2 O7 S -","- C38 H36 I N2 O7 S -","- C152 H144 I4 N8 O28 S4 -","4","1","","Hu, Yancheng; Yi, Ruxia; Wang, Chunxiang; Xin, Xiaoyi; Wu, Fan; Wan, Boshun","From Propargylamides to Oxazole Derivatives: NIS-Mediated Cyclization and Further Oxidation by Dioxygen.","The Journal of organic chemistry","2014","79","7","3052","3059","10.1021/jo5001719","","","0.71073","MoKα","","0.1033","0.0582","","","0.1532","0.173","","","","","","1.122","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029259","21.5783","0.0013","10.3365","0.0006","5.9411","0.0002","90","","90","","90","","1325.13","0.12","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H13 N S -","- C16 H13 N S -","- C64 H52 N4 S4 -","4","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0398","0.0354","","","0.0911","0.0955","","","","","","1.037","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029260","6.7761","0.0005","11.2906","0.0007","11.3537","0.0008","90","","102.15","0.007","90","","849.17","0.1","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O2 S -","- C20 H18 O2 S -","- C40 H36 O4 S2 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0429","0.0376","","","0.0938","0.0991","","","","","","1.051","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029261","4.88121","0.00019","15.8851","0.0006","10.0737","0.0004","90","","90.732","0.004","90","","781.04","0.05","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C32 H34 N2 O2 S4 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","0.7107","MoKα","","0.05","0.0389","","","0.0827","0.0891","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029262","9.7854","0.0012","7.299","0.0009","26.568","0.003","90","","96.485","0.002","90","","1885.4","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","Yang, Hai-Bin; Zhao, Yun-Zhou; Sang, Rui; Shi, Min","(DHQ)2AQN-Catalyzed Asymmetric Substitution of Isatin-Derived Hydrazones with O-Boc-Protected Morita-Baylis-Hillman Adducts: A Strategy for Synthesizing Enantioenriched Azo Compounds Incorporating an Oxindole Scaffold.","The Journal of organic chemistry","2014","79","8","3519","3528","10.1021/jo5003246","","","0.71073","MoKα","","0.0694","0.0512","","","0.1291","0.14","","","","","","1.055","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029263","10.0361","0.0003","10.0361","0.0003","15.3067","0.0004","90","","90","","90","","1541.74","0.08","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0898","0.0573","","","0.1074","0.1206","","","","","","1.015","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029264","5.9961","0.0001","9.1613","0.0002","25.6885","0.0007","90","","90","","90","","1411.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O2 S2 -","- C13 H19 N O2 S2 -","- C52 H76 N4 O8 S8 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0474","0.0398","","","0.0912","0.0963","","","","","","1.036","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029265","8.9323","0.0002","10.4477","0.0002","16.1303","0.0003","90","","90","","90","","1505.31","0.05","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 S -","- C14 H23 N O4 S -","- C56 H92 N4 O16 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0398","0.0354","","","0.0944","0.0981","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029266","5.8566","0.0001","12.8241","0.0003","20.0677","0.0005","90","","90","","90","","1507.2","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0526","0.0424","","","0.1002","0.1063","","","","","","1.046","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029267","7.6984","0.0003","9.2444","0.0003","10.9871","0.0005","90","","110.048","0.0014","90","","734.54","0.05","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O2 S2 -","- C13 H21 N O2 S2 -","- C26 H42 N2 O4 S4 -","2","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0387","0.0334","","","0.0873","0.0912","","","","","","1.005","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029268","6.1309","0.0001","9.3097","0.0001","25.4281","0.0005","90","","90","","90","","1451.36","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.039","0.0345","","","0.088","0.0909","","","","","","1.008","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029269","9.6316","0.0004","10.2372","0.0004","10.7405","0.0005","97.58","0.002","94.223","0.002","108.013","0.002","990.93","0.07","150","2","150","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H30 N O3 P S -","- C18 H30 N O3 P S -","- C36 H60 N2 O6 P2 S2 -","2","2","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0304","0.0287","","","0.0731","0.0743","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029270","5.7765","0.0002","10.9416","0.0004","14.4434","0.0006","90","","93.134","0.002","90","","911.52","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O5 -","- C17 H31 N O5 -","- C34 H62 N2 O10 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0478","0.0414","","","0.0886","0.0923","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029271","8.5091","0.0019","5.3731","0.0011","16.347","0.004","90","","92.714","0.007","90","","746.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0443","0.0386","","","0.0977","0.1031","","","","","","1.044","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029272","8.9941","0.0007","7.718","0.0005","10.8751","0.0009","90","","101.498","0.003","90","","739.76","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0401","0.036","","","0.0841","0.0862","","","","","","1.102","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029273","6.8561","0.0002","12.1178","0.0005","18.7361","0.0008","90","","90","","90","","1556.61","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0851","0.0879","","","","","","1.112","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029274","9.4518","0.0006","9.6464","0.0006","10.9137","0.0007","90","","99.425","0.003","90","","981.63","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 O5 P -","- C21 H25 O5 P -","- C42 H50 O10 P2 -","2","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","x-ray","0.56085","AgKα","","0.0485","0.0409","","","0.0947","0.1","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029275","6.2585","0.0003","15.968","0.0007","17.0842","0.0008","90","","90","","90","","1707.32","0.14","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","","0.56086","AgKα","","0.0442","0.038","","","0.0886","0.0924","","","","","","1.075","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029276","9.78","0.003","10.383","0.003","13.081","0.004","97.135","0.006","110.846","0.01","102.196","0.009","1184.1","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 B Br N3 O8 -","- C20 H25 B Br N3 O8 -","- C40 H50 B2 Br2 N6 O16 -","2","1","","Suchý, Mojmír; Hudson, Robert H E","Pyrimidine-Fused Heterocyclic Frameworks Based on an N4-Arylcytosine Scaffold: Synthesis, Characterization, and PNA Oligomerization of the Fluorescent Cytosine Analogue 5,6-BenzopC.","The Journal of organic chemistry","2014","79","8","3336","3347","10.1021/jo402873e","","","0.71073","MoKα","","0.0728","0.0395","","","0.0839","0.0926","","","","","","1.036","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029277","6.1224","0.0011","12.237","0.002","16.495","0.003","90","","99.471","0.004","90","","1219","0.4","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O6 -","- C30 H27 N O6 -","- C60 H54 N2 O12 -","2","1","","Chaplin, Jason H; Jackson, Kristal; White, Jonathan M; Flynn, Bernard L","Convergent Access to Polycyclic Cyclopentanoids from α,β-Unsaturated Acid Chlorides and Alkynes through a Reductive Coupling, Nazarov Cyclization Sequence.","The Journal of organic chemistry","2014","79","8","3659","3664","10.1021/jo500040b","","","0.71073","MoKα","","0.0411","0.0385","","","0.0958","0.0976","","","","","","1.018","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029278","7.3446","0.0011","10.3043","0.0016","9.2757","0.0014","90","","101.418","0.003","90","","688.1","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C30 H28 N8 O2 -","2","1","","Xiong, Yang; Zhang, Xuxue; Huang, Tao; Cao, Song","Synthesis of N-(α-Fluorovinyl)azoles by the Reaction of Difluoroalkenes with Azoles.","The Journal of organic chemistry","2014","79","14","6395","6402","10.1021/jo5005845","","","0.71073","MoKα","","0.0945","0.0738","","","0.2354","0.3327","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029279","9.44","0.009","9.863","0.01","11.214","0.011","90","","90","","90","","1044.1","1.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Taber, Douglass F; Paquette, Craig M","Synthesis of the pentacylic core of (+)-salvileucalin B.","The Journal of organic chemistry","2014","79","8","3410","3413","10.1021/jo500164x","","","0.71073","MoKα","","0.1668","0.1657","","","0.3563","0.3581","","","","","","3.162","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029280","9.144","0.0005","10.9927","0.0007","9.6418","0.0007","90","","103.148","0.004","90","","943.76","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","1","","Selim, Khalid B; Martel, Arnaud; Laurent, Mathieu Y; Lhoste, Jérôme; Py, Sandrine; Dujardin, Gilles","Enantioselective Ruthenium-Catalyzed 1,3-Dipolar Cycloadditions between C-Carboalkoxy Ketonitrones and Methacrolein: Solvent Effect on Reaction Selectivity and Its Rational.","The Journal of organic chemistry","2014","79","8","3414","3426","10.1021/jo5001737","","","0.71073","MoKα","","0.1012","0.0517","","","0.1026","0.1189","","","","","","1.011","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029281","19.986","0.004","19.986","0.004","8.8105","0.0018","90","","90","","120","","3047.8","1.1","173","2","173","2","","","","","","","","3","P 63","P 6c","173","","","","- C69 H57 N15 -","- C69 H57 N15 -","- C138 H114 N30 -","2","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1435","0.1284","","","0.3281","0.3369","","","","","","2.032","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029282","15.319","0.002","15.319","0.002","44.673","0.009","90","","90","","120","","9079","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C150 H90 N30 -","- C150 H90 N30 -","- C450 H270 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0657","0.0588","","","0.1366","0.1413","","","","","","1.155","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029283","11.366","0.002","15.991","0.003","9.664","0.0019","90","","110.578","0.003","90","","1644.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N6 -","- C42 H42 N6 -","- C84 H84 N12 -","2","0.5","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0716","0.0595","","","0.1167","0.1235","","","","","","1.116","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029284","20.221","0.003","20.221","0.003","38.779","0.008","90","","90","","120","","13732","4","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C159 H42 N9 -","- C159 H42 N9 -","- C954 H252 N54 -","6","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1448","0.1278","","","0.3207","0.3398","","","","","","1.884","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029285","10.491","0.003","15.082","0.003","15.571","0.005","62.847","0.011","89.307","0.018","77.513","0.016","2129.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H45 N15 -","- C45 H45 N15 -","- C90 H90 N30 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1066","0.0848","","","0.1866","0.1992","","","","","","1.114","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029286","15.098","0.003","15.098","0.003","94.97","0.02","90","","90","","120","","18748","7","173.15","","173.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C59 H45 Cl8 N18 -","- C59 H45 Cl8 N18 -","- C708 H540 Cl96 N216 -","12","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1313","0.1234","","","0.3122","0.3188","","","","","","1.177","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4029287","7.6467","0.0015","24.339","0.007","17.615","0.003","90","","94.85","0.03","90","","3266.6","1.3","173","2","173","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C39 H39 N9 -","- C39 H39 N9 -","- C156 H156 N36 -","4","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0892","0.084","","","0.2186","0.2235","","","","","","1.124","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029288","21.571","0.003","21.571","0.003","27.87","0.006","90","","90","","120","","11231","3","173","2","173","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C141 H57 N15 -","- C141 H57 N15 -","- C564 H228 N60 -","4","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1433","0.1162","","","0.2891","0.3017","","","","","","1.675","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029289","15.391","0.003","18.883","0.004","23.094","0.005","77.42","0.03","87.51","0.03","86.78","0.03","6537","2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C160 H90 N30 -","- C160 H90 N30 -","- C320 H180 N60 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1729","0.1401","","","0.3374","0.3578","","","","","","1.661","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029290","10.778","0.002","12.792","0.003","13.514","0.003","102.94","0.03","111.17","0.03","105.89","0.03","1559.1","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 N12 -","- C36 H36 N12 -","- C72 H72 N24 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0574","0.0519","","","0.1344","0.1388","","","","","","1.091","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029291","11.0322","0.0008","16.8447","0.001","19.9205","0.0013","90","","105.315","0.003","90","","3570.4","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N18 -","- C36 H42 N18 -","- C144 H168 N72 -","4","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0729","0.0677","","","0.1511","0.154","","","","","","1.261","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029292","15.21","0.002","15.21","0.002","44.815","0.009","90","","90","","120","","8979","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C138 H78 N30 -","- C138 H78 N30 -","- C414 H234 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1052","0.1031","","","0.2581","0.2595","","","","","","1.135","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029293","12.655","0.003","10.193","0.003","8.544","0.002","90","","102.529","0.006","90","","1075.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H19 O2 -","- C11 H19 O2 -","- C44 H76 O8 -","4","1","","Zhu, Jia-Liang; Wu, Sih-Ting; Shie, Jr-Yun","Access to Functionalized Bicyclo[4,3,0]nonenes via Palladium-Catalyzed Oxidative Cyclization of 2-Allylcyclohexyl Oximes.","The Journal of organic chemistry","2014","79","8","3623","3633","10.1021/jo5005422","","","0.71073","MoKα","","0.0571","0.0507","","","0.1379","0.1459","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029294","10.368","0.005","10.478","0.005","21.015","0.01","88.133","0.005","89.305","0.005","80.119","0.005","2247.9","1.9","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si2 -","- C19 H33 N O2 S Si2 -","- C76 H132 N4 O8 S4 Si8 -","4","4","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","0.71073","MoKα","","0.0567","0.0541","","","0.1392","0.1419","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029295","10.545","0.005","9.535","0.004","10.077","0.004","90","","115.62","0.03","90","","913.6","0.7","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 S Si -","- C17 H23 N O2 S Si -","- C34 H46 N2 O4 S2 Si2 -","2","1","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","1.54178","CuKα","","0.0478","0.0449","","","0.124","0.1269","","","","","","1.032","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029296","7.844","0.011","11.183","0.015","12.865","0.019","85.56","0.05","85.01","0.04","80.27","0.03","1106","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C46 H40 Cl2 F6 N4 O8 -","2","1","","Yang, Li-Jun; Li, Shen; Wang, Shuai; Nie, Jing; Ma, Jun-An","Nucleophilic lewis base dependent addition reactions of allenoates with trifluoromethylated cyclic ketimines.","The Journal of organic chemistry","2014","79","8","3547","3558","10.1021/jo500356t","","","0.71073","MoKα","","0.0949","0.0801","","","0.2778","0.2895","","","","","","1.149","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029297","10.062","0.009","12.589","0.011","18.91","0.017","90","","101.187","0.008","90","","2350","4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C92 H80 Cl4 F12 N8 O16 -","4","1","","Yang, Li-Jun; Li, Shen; Wang, Shuai; Nie, Jing; Ma, Jun-An","Nucleophilic lewis base dependent addition reactions of allenoates with trifluoromethylated cyclic ketimines.","The Journal of organic chemistry","2014","79","8","3547","3558","10.1021/jo500356t","","","0.71073","MoKα","","0.0923","0.0582","","","0.145","0.1693","","","","","","1.022","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029298","8.7212","0.0014","9.3821","0.0013","11.148","0.002","90","","90","","90","","912.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","","Thalluri, Kishore; Manne, Srinivasa Rao; Dev, Dharm; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(4-nitrophenylsulfonyloxyimino)acetate-Mediated Lossen Rearrangement: Single-Pot Racemization-Free Synthesis of Hydroxamic Acids and Ureas from Carboxylic Acids.","The Journal of organic chemistry","2014","79","9","3765","3775","10.1021/jo4026429","","","0.71073","MoKα","","0.1259","0.0836","","","0.2139","0.249","","","","","","0.979","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029299","9.046","0.0008","11.3528","0.0009","30.038","0.002","90","","98.656","0.003","90","","3049.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O9 -","- C34 H30 N2 O9 -","- C136 H120 N8 O36 -","4","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.2407","0.1671","","","0.3227","0.3552","","","","","","1.194","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029300","10.2438","0.0011","13.8664","0.0015","14.1071","0.0015","105.457","0.003","108.034","0.003","98.027","0.004","1781.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O9 -","- C38 H38 N2 O9 -","- C76 H76 N4 O18 -","2","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.1462","0.0654","","","0.139","0.1614","","","","","","0.979","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029301","11.2385","0.0018","11.278","0.0019","11.737","0.002","113.393","0.005","92.165","0.005","102.263","0.004","1321.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O10 -","- C27 H24 N2 O10 -","- C54 H48 N4 O20 -","2","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.137","0.1036","","","0.2954","0.3116","","","","","","1.046","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029302","12.536","0.003","6.7909","0.0012","18.646","0.004","90","","90","","90","","1587.3","0.6","173","","173","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H9 Cl F5 N S Se -","- C15 H9 Cl F5 N S Se -","- C60 H36 Cl4 F20 N4 S4 Se4 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.059","","","","0.1102","","","","","","1.139","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029303","6.761","0.005","12.748","0.008","18.642","0.012","90","","90","","90","","1606.7","1.9","125","","125","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 F5 N2 O2 S Se -","- C15 H9 F5 N2 O2 S Se -","- C60 H36 F20 N8 O8 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0544","","","","0.1681","","","","","","0.95","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029304","12.075","0.01","9.345","0.007","16.111","0.013","90","","106.76","0.03","90","","1741","2","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F5 N O2 S2 -","- C17 H14 F5 N O2 S2 -","- C68 H56 F20 N4 O8 S8 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.1192","","","","0.3828","","","","","","1.213","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029305","35.77","0.05","6.207","0.008","15.93","0.03","90","","107.028","0.014","90","","3382","9","125","","125","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F5 N O S Se -","- C16 H12 F5 N O S Se -","- C128 H96 F40 N8 O8 S8 Se8 -","8","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0714","","","","0.229","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029306","7.911","0.011","10.425","0.015","11.609","0.017","109.181","0.003","109.088","0.012","100.49","0.013","808","2","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 F5 N2 O2 S Se -","- C15 H9 F5 N2 O2 S Se -","- C30 H18 F10 N4 O4 S2 Se2 -","2","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0599","","","","0.1479","","","","","","0.944","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029307","9.65","0.004","12.717","0.006","15.93","0.007","77.557","0.013","75.918","0.011","77.43","0.014","1823.2","1.4","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 F5 N O2 S Se -","- C17 H14 F5 N O2 S Se -","- C68 H56 F20 N4 O8 S4 Se4 -","4","2","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0553","","","","0.1658","","","","","","1.048","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029308","7.789","0.009","33.34","0.04","6.278","0.008","90","","90","","90","","1630","3","125","","125","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 F5 N S Se -","- C16 H12 F5 N S Se -","- C64 H48 F20 N4 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0629","","","","0.1899","","","","","","0.946","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029309","9.0021","0.001","14.9816","0.0018","16.5464","0.0019","90","","90","","90","","2231.5","0.4","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O3 S -","- C21 H32 N2 O3 S -","- C84 H128 N8 O12 S4 -","4","1","","Bosque, Irene; Gonzalez-Gomez, Jose C; Loza, María Isabel; Brea, José","Natural Tetraponerines: A General Synthesis and Antiproliferative Activity.","The Journal of organic chemistry","2014","79","9","3982","3991","10.1021/jo500446f","","","0.71073","MoKα","","0.0488","0.0367","","","0.0898","0.0977","","","","","","1.021","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029310","9.9316","0.0004","13.506","0.0006","14.3545","0.0006","106.446","0.001","105.813","0.001","103.488","0.001","1673.27","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 Cl N2 O9 S -","- C34 H31 Cl N2 O9 S -","- C68 H62 Cl2 N4 O18 S2 -","2","1","","Qiu, Lin; Gao, Lixin; Tang, Jixing; Wang, Dongwei; Guo, Xin; Liu, Shunying; Yang, Liping; Li, Jia; Hu, Wenhao","Regio- and Diastereoselective Construction of α-Hydroxy-δ-amino Ester Derivatives via 1,4-Conjugate Addition of β,γ-Unsaturated N-Sulfonylimines.","The Journal of organic chemistry","2014","79","9","4142","4147","10.1021/jo500176g","","","0.71073","MoKα","","0.0678","0.0424","","","0.1039","0.1162","","","","","","0.972","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029311","14.8608","0.0005","7.7619","0.0003","17.4366","0.0006","90","","106.782","0.001","90","","1925.62","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl2 N2 O2 -","- C22 H18 Cl2 N2 O2 -","- C88 H72 Cl8 N8 O8 -","4","1","","Wang, Chengjin; Xing, Dong; Wang, Dongwei; Wu, Xiang; Hu, Wenhao","Synthesis of 3-Amino-3-hydroxymethyloxindoles and 3-Hydroxy-3-hydroxymethyloxindoles by Rh2(OAc)4-Catalyzed Three-Component Reactions of 3-Diazooxindoles with Formaldehyde and Anilines or Water.","The Journal of organic chemistry","2014","79","9","3908","3916","10.1021/jo500307n","","","0.71073","MoKα","","0.0622","0.0458","","","0.1269","0.1416","","","","","","1.061","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029312","12.3796","0.0015","10.5493","0.0015","11.3168","0.0013","90","","106.991","0.008","90","","1413.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Ghosh, Priya; Saha, Pipas; Bondalapati, Somasekhar; Indukuri, Kiran; Saikia, Anil K.","Lewis Acid Mediated Intramolecular C-C Bond Formation of Alkyne-Epoxide Leading to Six-Membered Nitrogen and Oxygen Heterocycles.","The Journal of organic chemistry","2014","79","9","4119","4124","10.1021/jo402550e","","","0.71073","MoKα","","0.0752","0.0448","","","0.1138","0.1295","","","","","","1.008","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029313","5.587","0.002","18.446","0.007","17.936","0.007","90","","97.283","0.008","90","","1833.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(3-Phenyl-3-oxoprop-1-ynyl)-N-phenyl-4-tolylsulfonamide","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Zhang, Peng; Cook, Andrea M.; Liu, Yang; Wolf, Christian","Copper(I)-Catalyzed Nucleophilic Addition of Ynamides to Acyl Chlorides and Activated N-Heterocycles.","The Journal of organic chemistry","2014","79","9","4167","4173","10.1021/jo500365h","","","0.71073","MoKα","","0.0428","0.0369","","","0.097","0.1015","","","","","","0.995","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029314","12.8822","0.0017","9.5928","0.0013","22.444","0.003","90","","103.587","0.002","90","","2695.9","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C96 H112 N16 O56 -","8","4","","Pandey, Anil K.; Yap, Glenn P. A.; Zondlo, Neal J.","(2S,4R)-4-Hydroxyproline(4-nitrobenzoate): Strong Induction of Stereoelectronic Effects via a Readily Synthesized Proline Derivative. Crystallographic Observation of a Correlation between Torsion Angle and Bond Length in a Hyperconjugative Interaction.","The Journal of organic chemistry","2014","79","9","4174","4179","10.1021/jo500367d","","","0.71073","MoKα","","0.0712","0.0437","","","0.0906","0.1039","","","","","","1.011","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029315","12.221","0.002","6.0654","0.0011","13.752","0.002","90","","96.378","0.003","90","","1013.1","0.3","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H27 F2 N O6 S -","- C14 H27 F2 N O6 S -","- C28 H54 F4 N2 O12 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","x-ray","0.71073","MoKα","","0.0524","0.0497","","","0.136","0.1397","","","","","","1.078","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029316","5.742","0.004","17.689","0.011","6.193","0.004","90","","100.655","0.014","90","","618.2","0.7","100","2","100","2","","","","","","","Clement Fontenelle","6","P 1 21 1","P 2yb","4","","","","- C9 H17 F2 N O3 S -","- C9 H17 F2 N O3 S -","- C18 H34 F4 N2 O6 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0246","0.0244","","","0.0659","0.0662","","","","","","1.032","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029317","8.329","0.006","9.292","0.007","23.43","0.016","90","","90","","90","","1813","2","100","2","100","2","","","","","","","Clement Fontenelle","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F2 N O5 S -","- C14 H25 F2 N O5 S -","- C56 H100 F8 N4 O20 S4 -","4","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0632","0.0555","","","0.123","0.1299","","","","","","1.096","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029318","6.494","0.0003","10.683","0.0005","19.0024","0.001","91.402","0.004","91.845","0.004","102.929","0.004","1283.53","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 N4 Pd -","- C33 H32 N4 Pd -","- C66 H64 N8 Pd2 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0926","0.0465","","","","0.0966","","","","","","0.959","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029319","8.1266","0.0004","10.9322","0.0006","14.5533","0.0008","105.58","0.004","91.632","0.004","97.148","0.004","1233.16","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 O2 Pd -","- C30 H30 N4 O2 Pd -","- C60 H60 N8 O4 Pd2 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0793","0.0481","","","","0.1212","","","","","","1.017","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029320","8.1062","0.0002","10.8971","0.0003","28.0896","0.0008","83.679","0.002","85.737","0.002","82.79","0.002","2442.07","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 Ni O2 -","- C30 H30 N4 Ni O2 -","- C120 H120 N16 Ni4 O8 -","4","2","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0781","0.0407","","","","0.1008","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029321","10.6439","0.0003","11.4507","0.0003","12.7871","0.0004","88.093","0.002","67.922","0.001","64.645","0.002","1289.84","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H34 N4 -","- C33 H34 N4 -","- C66 H68 N8 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0783","0.0459","","","","0.1292","","","","","","1.015","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029322","8.3186","0.0007","12.4731","0.001","19.1532","0.0016","90","","90","","90","","1987.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.0367","0.0356","","","0.1041","0.1055","","","","","","1.103","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029323","9.6247","0.0004","11.6485","0.0005","13.7072","0.0005","90","","90","","90","","1536.76","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.056","0.0441","","","0.112","0.1197","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029328","16.9949","0.0018","21.083","0.002","7.3381","0.0008","90","","90","","90","","2629.3","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0695","0.0476","","","0.1242","0.1373","","","","","","1.056","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029329","15.191","0.002","7.0358","0.001","16.337","0.002","90","","115.321","0.003","90","","1578.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0626","0.053","","","0.1383","0.1477","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029330","23.655","0.003","9.7505","0.001","15.4692","0.0016","90","","126.057","0.002","90","","2884.4","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0503","0.0414","","","0.1125","0.1195","","","","","","1.058","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029331","8.078","0.003","12.824","0.003","13.714","0.004","113.32","0.02","98.37","0.02","95.61","0.03","1271.7","0.7","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H24 N2 -","- C39 H24 N2 -","- C78 H48 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.0726","0.045","","","0.0854","0.0937","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029332","9.635","0.0016","10.0387","0.0016","12.277","0.0019","83.666","0.008","88.781","0.009","89.717","0.008","1179.9","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 N2 -","- C35 H22 N2 -","- C70 H44 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.07","0.0446","","","0.0847","0.0941","","","","","","1.032","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029333","12.4433","0.0019","14.26","0.002","15.249","0.002","68.103","0.009","67.336","0.011","70.436","0.009","2258.3","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C124 H96 N8 O4 -","4","2","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.1189","0.063","","","0.1135","0.1443","","","","","","1.037","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029334","9.114","0.003","9.534","0.003","11.901","0.003","96.66","0.02","99.74","0.03","93.8","0.02","1008.4","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C60 H40 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.0575","0.0423","","","0.1349","0.141","","","","","","1.017","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029335","10.976","0.004","9.914","0.004","15.781","0.006","90","","103.62","0.005","90","","1668.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Sun, Jinwei; Wang, Fuyao; Hu, Huayou; Wang, Xiangshan; Wu, Hui; Liu, Yun","Copper(II)-Catalyzed Carbon-Carbon Triple Bond Cleavage of Internal Alkynes for the Synthesis of Annulated Indolizines.","The Journal of organic chemistry","2014","79","9","3992","3998","10.1021/jo500456d","","","0.71073","MoKα","","0.1301","0.067","","","0.1772","0.2202","","","","","","0.992","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029336","5.817","0.0002","34.7466","0.001","9.9049","0.0003","90","","101.37","0.001","90","","1962.7","0.11","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O3 S -","- C23 H19 N3 O3 S -","- C92 H76 N12 O12 S4 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Porro, Rocío","Stepwise Formation of 1,3-Diazolium-4-thiolates by Münchnone Cycloadditions: Promising Candidates for Nonlinear Optics.","The Journal of organic chemistry","2014","79","9","4201","4205","10.1021/jo500349g","","","0.71073","MoKα","","0.0602","0.0404","","","0.108","0.121","","","","","","0.989","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029337","12.2636","0.0001","9.7059","0.0001","18.4895","0.0002","90","","101.565","0.001","90","","2156.11","0.04","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O4 S -","- C24 H21 N3 O4 S -","- C96 H84 N12 O16 S4 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Porro, Rocío","Stepwise Formation of 1,3-Diazolium-4-thiolates by Münchnone Cycloadditions: Promising Candidates for Nonlinear Optics.","The Journal of organic chemistry","2014","79","9","4201","4205","10.1021/jo500349g","","","0.71073","MoKα","","0.0446","0.0381","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029338","9.8381","0.0008","10.4824","0.0009","12.5322","0.0011","74.656","0.001","74.429","0.001","71.299","0.001","1156.45","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0911","0.0455","","","0.0994","0.1196","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029339","9.3468","0.0004","14.5715","0.0006","16.6456","0.0006","90","","105.26","0.001","90","","2187.15","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 N2 O2 -","- C26 H20 Br2 N2 O2 -","- C104 H80 Br8 N8 O8 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0294","0.0236","","","0.0561","0.0581","","","","","","1.019","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029340","8.6359","0.0003","12.0457","0.0005","19.5543","0.0008","90","","90","","90","","2034.15","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0427","0.0381","","","0.0992","0.1034","","","","","","1.036","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029341","10.8929","0.0006","8.6496","0.0005","21.3698","0.0013","90","","95.896","0.001","90","","2002.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C112 H76 N4 O8 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0575","0.0394","","","0.0947","0.105","","","","","","1.029","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029342","9.765","0.0004","11.9476","0.0005","12.3011","0.0005","113.172","0.001","101.293","0.001","106.109","0.001","1189.59","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C64 H48 N4 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0463","0.0396","","","0.1018","0.1076","","","","","","1.03","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029343","8.502","0.0003","11.6522","0.0004","17.4372","0.0006","104.952","0.001","92.109","0.001","98.182","0.001","1647.09","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H33 N3 O2 -","- C44 H33 N3 O2 -","- C88 H66 N6 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0456","0.0393","","","0.1005","0.1058","","","","","","1.034","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029344","8.7939","0.0004","9.6279","0.0004","12.566","0.0006","76.008","0.001","78.669","0.001","85.631","0.001","1011.77","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0458","0.0394","","","0.102","0.1082","","","","","","1.04","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029345","10.0356","0.0004","12.8316","0.0005","16.3402","0.0007","80.535","0.001","80.757","0.001","74.556","0.001","1985.42","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","2","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.052","0.0398","","","0.0985","0.1077","","","","","","1.018","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029346","8.1852","0.0004","8.4437","0.0004","16.921","0.0009","97.887","0.001","93.333","0.001","111.291","0.001","1071.93","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N O4 -","- C28 H19 N O4 -","- C56 H38 N2 O8 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0479","0.0375","","","0.0929","0.1005","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029347","20.109","0.002","12.9225","0.0009","12.0941","0.0008","90","","90","","90","","3142.8","0.4","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C38 H30 N6 -","- C38 H30 N6 -","- C152 H120 N24 -","4","1","","Jiang, Bo; Ning, Yi; Fan, Wei; Tu, Shu-Jiang; Li, Guigen","Oxidative Dehydrogenative Couplings of Pyrazol-5-amines Selectively Forming Azopyrroles.","The Journal of organic chemistry","2014","79","9","4018","4024","10.1021/jo5004967","","","0.71073","MoKα","","0.1518","0.0579","","","0.125","0.1896","","","","","","1.074","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029348","8.4458","0.0004","10.7913","0.0005","11.4138","0.0006","90","","91.973","0.001","90","","1039.65","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 I2 N6 -","- C20 H16 I2 N6 -","- C40 H32 I4 N12 -","2","0.5","","Jiang, Bo; Ning, Yi; Fan, Wei; Tu, Shu-Jiang; Li, Guigen","Oxidative Dehydrogenative Couplings of Pyrazol-5-amines Selectively Forming Azopyrroles.","The Journal of organic chemistry","2014","79","9","4018","4024","10.1021/jo5004967","","","0.71073","MoKα","","0.033","0.0291","","","0.0708","0.074","","","","","","1.088","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029349","13.9947","0.0011","5.8914","0.0004","15.0886","0.0011","90","","97.064","0.005","90","","1234.59","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O6 S -","- C26 H24 Cl N O6 S -","- C52 H48 Cl2 N2 O12 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0676","0.0446","","","0.0815","0.0886","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029350","5.7422","0.0007","10.5827","0.0011","28.156","0.003","90","","90","","90","","1711","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.1205","0.1046","","","0.2495","0.2534","","","","","","2.045","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029351","10.069","0.005","5.823","0.003","17.107","0.008","90","","106.319","0.017","90","","962.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N O4 S -","- C18 H18 Cl N O4 S -","- C36 H36 Cl2 N2 O8 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0665","0.0425","","","0.072","0.0775","","","","","","1.179","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029352","7.7315","0.0006","14.3537","0.0011","26.576","0.002","90","","90","","90","","2949.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C120 H136 Br8 N16 O24 -","8","2","","Boucherif, Amina; Yang, Qing-Qing; Wang, Qiang; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantio- and Diastereoselective Synthesis of Spiro-epoxyoxindoles.","The Journal of organic chemistry","2014","79","9","3924","3929","10.1021/jo5003856","","","0.71073","MoKα","","0.0387","0.031","","","0.0642","0.0764","","","","","","0.991","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029353","3.8592","0.0003","8.4044","0.0011","12.5408","0.0016","87.517","0.01","85.342","0.009","81.578","0.009","400.83","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N4 S -","- C7 H6 N4 S -","- C14 H12 N8 S2 -","2","1","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.0604","0.0508","","","0.1362","0.1434","","","","","","0.903","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029354","34.721","0.005","4.0036","0.0005","14.975","0.002","90","","100.148","0.013","90","","2049.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 N8 S5 -","- C14 H12 Cl2 N8 S5 -","- C56 H48 Cl8 N32 S20 -","4","0.5","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.0764","0.0623","","","0.1725","0.1812","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029355","10.449","0.0004","12.6255","0.0008","21.3511","0.0009","97.143","0.004","92.352","0.003","93.441","0.004","2786.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl3 N9 S5 -","- C16 H14 Cl3 N9 S5 -","- C64 H56 Cl12 N36 S20 -","4","2","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.124","0.0824","","","0.2259","0.2523","","","","","","1","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029356","10.4838","0.0012","14.518","0.002","15.9147","0.0018","79.164","0.011","73.907","0.01","71.712","0.011","2196.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C120 H80 N8 O4 -","4","2","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.1454","0.0597","","","0.0999","0.1321","","","","","","0.961","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029357","13.1006","0.0016","14.6841","0.0017","8.7923","0.0008","90","","100.348","0.009","90","","1663.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.0782","0.0464","","","0.1039","0.1201","","","","","","1.013","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029358","7.4501","0.0015","8.7551","0.0018","14.931","0.003","95.2","0.03","98.89","0.03","103.19","0.03","928.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C50 H36 N4 O2 -","2","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.0578","0.0494","","","0.1362","0.1434","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029359","9.5537","0.0015","16.927","0.003","15.612","0.003","90","","105.52","0.003","90","","2432.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N3 O3 -","- C31 H21 N3 O3 -","- C124 H84 N12 O12 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.1581","0.0736","","","0.1892","0.2303","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029360","7.8508","0.0002","15.8682","0.0004","18.2984","0.0004","90","","90","","90","","2279.58","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Cl N2 O Ru -","- C26 H25 Cl N2 O Ru -","- C104 H100 Cl4 N8 O4 Ru4 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","1.54184","CuKα","","0.0351","0.034","","","0.0905","0.0915","","","","","","1.039","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029361","9.561","0.004","10.152","0.004","21.593","0.009","90","","96.807","0.009","90","","2081.1","1.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C72 H128 N16 O24 -","8","2","","Zhou, Jing; Yeung, Ying-Yeung","Synthesis of Reboxetine Intermediate and Carnitine Acetyltransferase Inhibitor via NBS-Induced Electrophilic Multicomponent Reaction.","The Journal of organic chemistry","2014","79","10","4644","4649","10.1021/jo500609a","","","0.71073","MoKα","","0.0944","0.0594","","","0.1359","0.1515","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029362","7.3876","0.0011","9.7133","0.0014","10.4673","0.0015","103.383","0.003","104.427","0.003","104.585","0.003","668.4","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 Cl N2 O5 S -","- C11 H13 Cl N2 O5 S -","- C22 H26 Cl2 N4 O10 S2 -","2","1","","Zhou, Jing; Yeung, Ying-Yeung","Synthesis of Reboxetine Intermediate and Carnitine Acetyltransferase Inhibitor via NBS-Induced Electrophilic Multicomponent Reaction.","The Journal of organic chemistry","2014","79","10","4644","4649","10.1021/jo500609a","","","0.71073","MoKα","","0.0522","0.0482","","","0.1188","0.1214","","","","","","1.091","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029363","9.038","0.003","12.131","0.005","9.119","0.004","90","","113.364","0.006","90","","917.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl N3 O -","- C22 H16 Cl N3 O -","- C44 H32 Cl2 N6 O2 -","2","1","","Wang, Ying-Chun; Xie, Yu-Yang; Qu, Hong-En; Wang, Heng-Shan; Pan, Ying-Ming; Huang, Fu-Ping","Ce(OTf)3-Catalyzed [3 + 2] Cycloaddition of Azides with Nitroolefins: Regioselective Synthesis of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2014","79","10","4463","4469","10.1021/jo5004339","","","0.71073","MoKα","","0.0716","0.0694","","","0.2078","0.2093","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029364","26.329","0.007","10.877","0.003","18.902","0.005","90","","102.757","0.004","90","","5280","2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C240 H208 N48 O16 -","16","4","","Wang, Ying-Chun; Xie, Yu-Yang; Qu, Hong-En; Wang, Heng-Shan; Pan, Ying-Ming; Huang, Fu-Ping","Ce(OTf)3-Catalyzed [3 + 2] Cycloaddition of Azides with Nitroolefins: Regioselective Synthesis of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2014","79","10","4463","4469","10.1021/jo5004339","","","0.71073","MoKα","","0.1978","0.1354","","","0.3338","0.3702","","","","","","1.193","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4029365","21.423","0.0006","9.312","0.0003","25.48","0.0009","90","","101.743","0.0011","90","","4976.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H57 D6 N7 O9.5 -","- C51.5 H57 D6 N7 O9.5 -","- C206 H228 D24 N28 O38 -","4","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.1408","0.0733","","","0.1741","0.2192","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029366","9.6099","0.0004","14.0444","0.0006","14.4849","0.0005","90","","98.63","0.003","90","","1932.82","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 N8 O10 -","- C30 H58 N8 O10 -","- C60 H116 N16 O20 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0408","0.038","","","0.1021","0.1039","","","","","","1.065","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029367","8.939","0.0002","15.0463","0.0003","64.8154","0.0011","90","","90","","90","","8717.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 N8 O11 -","- C36 H60 N8 O11 -","- C288 H480 N64 O88 -","8","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0608","0.0566","","","0.146","0.149","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029368","16.7586","0.0003","11.7537","0.0002","17.0863","0.0003","90","","94.951","0.001","90","","3353.03","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H49 N7 O9 -","- C26 H48 N7 O9 -","- C104 H192 N28 O36 -","4","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.061","0.0522","","","0.1409","0.147","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029369","8.186","0.003","18.89","0.006","22.446","0.007","90","","90","","90","","3471","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 N6 O7 -","- C32 H50 N6 O7 -","- C128 H200 N24 O28 -","4","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0983","0.0889","","","0.1939","0.1986","","","","","","1.198","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029370","11.5859","0.0005","9.585","0.0004","16.5938","0.0008","90","","108.615","0.002","90","","1746.35","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H52 N8 O8 -","- C27 H52 N8 O8 -","- C54 H104 N16 O16 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0476","0.0447","","","0.1186","0.1204","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029371","11.357","0.002","16.271","0.003","18.895","0.004","80.846","0.004","87.004","0.004","89.866","0.004","3442.4","1.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H46 N6 O7 -","- C33 H46 N6 O7 -","- C132 H184 N24 O28 -","4","4","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0952","0.0513","","","0.0967","0.1082","","","","","","0.872","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029372","10.3831","0.0006","13.0198","0.0005","13.2997","0.0006","81.765","0.003","78.203","0.004","70.812","0.004","1656.55","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H26 N2 S2 -","- C46 H26 N2 S2 -","- C92 H52 N4 S4 -","2","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0585","0.0467","","","0.1391","0.1528","","","","","","1.046","","","","has coordinates,has disorder","205842","2020-10-21","18:00:00",""
"4029373","26.9975","0.0006","14.9487","0.0003","16.8201","0.0004","90","","99.47","0.002","90","","6695.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 N4 -","- C48 H28 N4 -","- C384 H224 N32 -","8","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0546","0.0428","","","0.1146","0.128","","","","","","1.028","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029374","10.9885","0.0004","11.6518","0.0004","15.3264","0.0006","85.393","0.003","89.268","0.003","73.761","0.003","1877.85","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H32 Cl2 N2 -","- C51 H32 Cl2 N2 -","- C102 H64 Cl4 N4 -","2","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0912","0.0798","","","0.2375","0.2585","","","","","","1.037","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4029375","7.1652","0.0003","12.6049","0.0005","16.4098","0.0008","90","","90","","90","","1482.08","0.11","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O3 -","- C17 H14 Cl N O3 -","- C68 H56 Cl4 N4 O12 -","4","1","","Wu, Xiang; Li, Ming-Li; Chen, Dian-Feng; Chen, Shu-Sen","Enantioselective construction of [6,5,6]-carbocyclic systems by organo/metal-catalyzed sequential reactions.","The Journal of organic chemistry","2014","79","10","4743","4750","10.1021/jo5006729","","","0.71073","MoKα","","0.0372","0.0336","","","0.0795","0.0821","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029376","19.234","0.002","5.6695","0.0007","10.7313","0.0013","90","","90","","90","","1170.2","0.2","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Shimizu, Tomoaki; Koya, Shunsuke; Yamasaki, Ryu; Mutoh, Yuichiro; Azumaya, Isao; Katagiri, Kosuke; Saito, Shinichi","Acid-Mediated Ring-Expansion Reaction of N-Aryl-2-vinylazetidines: Synthesis and Unanticipated Reactivity of Tetrahydrobenzazocines.","The Journal of organic chemistry","2014","79","10","4367","4377","10.1021/jo500249c","","","0.71073","MoKα","","0.0291","0.0277","","","0.0692","0.0703","","","","","","1.058","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029377","11.401","0.003","12","0.003","8.479","0.002","90","","92.305","0.002","90","","1159.1","0.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Shimizu, Tomoaki; Koya, Shunsuke; Yamasaki, Ryu; Mutoh, Yuichiro; Azumaya, Isao; Katagiri, Kosuke; Saito, Shinichi","Acid-Mediated Ring-Expansion Reaction of N-Aryl-2-vinylazetidines: Synthesis and Unanticipated Reactivity of Tetrahydrobenzazocines.","The Journal of organic chemistry","2014","79","10","4367","4377","10.1021/jo500249c","","","0.71073","MoKα","","0.0806","0.0753","","","0.2139","0.2236","","","","","","1.055","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029378","5.7246","0.001","10.9332","0.0018","16.289","0.003","77.753","0.004","86.78","0.004","80.766","0.004","983.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","1","","Wang, Meining; Zhang, Chi; Sun, Li-Ping; Ding, Chunyong; Zhang, Ao","Naphthoquinone-directed C-h annulation and csp(3)-h bond cleavage: one-pot synthesis of tetracyclic naphthoxazoles.","The Journal of organic chemistry","2014","79","10","4553","4560","10.1021/jo500572u","","","0.71073","MoKα","","0.0884","0.0548","","","0.1593","0.1787","","","","","","1.089","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029379","12.7758","0.0006","12.4749","0.0006","24.7006","0.0011","90","","96.782","0.001","90","","3909.2","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Br2 Cl4 N4 O4 -","- C32 H26 Br2 Cl4 N4 O4 -","- C128 H104 Br8 Cl16 N16 O16 -","4","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.0957","0.0577","","","0.1409","0.1544","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029380","10.5303","0.0008","11.5381","0.0009","18.5812","0.0015","86.903","0.001","74.816","0.001","77.042","0.001","2123.3","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl8 N4 O4 S2 -","- C42 H36 Cl8 N4 O4 S2 -","- C84 H72 Cl16 N8 O8 S4 -","2","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.0964","0.0648","","","0.181","0.1978","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029381","11.149","0.0004","32.7727","0.0013","11.5886","0.0005","90","","98.527","0.001","90","","4187.5","0.3","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Cl7 N4 O4 S2 -","- C41 H33 Cl7 N4 O4 S2 -","- C164 H132 Cl28 N16 O16 S8 -","4","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.119","0.0781","","","0.2076","0.2373","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029382","9.14","0.004","11.564","0.005","11.837","0.003","81.82","0.03","89.37","0.02","73.3","0.03","1185.6","0.8","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H26 O -","- C34 H26 O -","- C68 H52 O2 -","2","1","","Guo, Biao; Zheng, Liyao; Yang, Lichen; Hua, Ruimao","Synthesis of Chrysene Derivatives via Copper-Catalyzed One-Pot Dimerization of 2-Alkynyl-1-acetylbenzenes.","The Journal of organic chemistry","2014","79","10","4352","4357","10.1021/jo500182k","","","0.71073","MoKα","","0.1297","0.079","","","0.1606","0.1765","","","","","","1.438","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029383","5.6805","0.0004","10.0159","0.0006","15.1868","0.0009","91.566","0.004","97.711","0.003","96.58","0.003","849.8","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Chen, Jian-Ming; Chang, Chin-Jung; Ke, Yao-Jin; Liu, Rai-Shung","Catalytic Formal [4 + 2] Cycloadditions between Unactivated Allenes and N-Hydroxyaniline Catalyzed by AuCl3/CuCl2/O2.","The Journal of organic chemistry","2014","79","10","4306","4311","10.1021/jo500009x","","","0.71073","MoKα","","0.0626","0.0397","","","0.1096","0.1479","","","","","","1.11","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029384","45.341","0.003","6.3267","0.0004","19.1637","0.001","90","","94.165","0.003","90","","5482.8","0.6","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H38 N2 O -","- C34 H38 N2 O -","- C272 H304 N16 O8 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.191","0.0745","","","0.1423","0.1954","","","","","","0.966","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029385","9.3084","0.0009","11.0123","0.0011","14.2584","0.0014","96.174","0.002","92.581","0.001","96.04","0.002","1442.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 Cl2 O5 -","- C33 H34 Cl2 O5 -","- C66 H68 Cl4 O10 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0512","0.0454","","","0.12","0.1242","","","","","","1.242","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029386","34.0554","0.0018","9.9336","0.0005","23.0128","0.0012","90","","129.512","0.003","90","","6006.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 F6 N2 O -","- C34 H32 F6 N2 O -","- C272 H256 F48 N16 O8 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1291","0.0587","","","0.148","0.1833","","","","","","0.834","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029387","9.568","0.0001","9.0894","0.0001","28.1687","0.0004","90","","95.888","0.001","90","","2436.83","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0906","0.0601","","","0.1436","0.1622","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029388","27.2623","0.0015","7.994","0.0004","18.8173","0.001","90","","130.377","0.001","90","","3124.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C144 H152 O32 -","4","0.5","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0417","0.0368","","","0.0969","0.1017","","","","","","1.001","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029389","16.1001","0.0017","19.841","0.002","17.6455","0.0019","90","","115.919","0.002","90","","5069.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F6 O2 -","- C32 H24 F6 O2 -","- C256 H192 F48 O16 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1681","0.0674","","","0.1566","0.204","","","","","","1.009","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029390","21.8256","0.001","10.1693","0.0004","25.5637","0.0011","90","","90","","90","","5673.9","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H38 N2 O3 -","- C34 H38 N2 O3 -","- C272 H304 N16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1759","0.0767","","","0.1766","0.2146","","","","","","0.948","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029391","9.148","0.004","12.84","0.006","13.415","0.006","107.886","0.008","101.844","0.007","92.212","0.007","1458.9","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C68 H68 O12 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2641","0.1457","","","0.3817","0.4334","","","","","","1.478","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029392","9.8125","0.0008","11.0615","0.0008","13.6335","0.001","70.815","0.005","78.876","0.005","81.967","0.005","1366.69","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Br2 O4 -","- C32 H26 Br2 O4 -","- C64 H52 Br4 O8 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2137","0.1172","","","0.2944","0.3326","","","","","","0.96","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029393","25.956","0.011","6.182","0.003","19.745","0.008","90","","90.35","0.006","90","","3168","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 O3 -","- C38 H44 O3 -","- C152 H176 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1405","0.0643","","","0.1506","0.1912","","","","","","0.826","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029394","15.8962","0.0008","23.9751","0.0014","15.4845","0.0009","90","","115.677","0.003","90","","5318.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C272 H272 O32 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2732","0.1017","","","0.1587","0.2266","","","","","","0.961","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029395","14.3696","0.0006","24.357","0.001","8.882","0.0004","90","","90","","90","","3108.7","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C144 H152 O32 -","4","0.5","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1006","0.0641","","","0.1439","0.1615","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029396","11.2069","0.0002","11.0239","0.0002","18.5291","0.0004","90","","90.694","0.001","90","","2288.99","0.08","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0691","0.0478","","","0.145","0.1654","","","","","","1.127","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029397","13.809","0.004","10.376","0.003","21.761","0.006","90","","94.95","0.006","90","","3106.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cl2 N2 O3 -","- C35 H40 Cl2 N2 O3 -","- C140 H160 Cl8 N8 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.3044","0.0662","","","0.141","0.2509","","","","","","0.667","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029398","18.9058","0.0005","9.7027","0.0003","16.0143","0.0004","90","","114.597","0.0015","90","","2671.05","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C128 H128 O20 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0727","0.0449","","","0.0991","0.1094","","","","","","0.921","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029399","12.3177","0.0004","14.2234","0.0004","16.6636","0.0005","84.729","0.002","73.553","0.002","66.674","0.003","2570.47","0.15","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1812","0.0618","","","0.1412","0.1996","","","","","","0.699","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029400","10.7473","0.001","24.594","0.002","10.5723","0.0011","90","","107.995","0.006","90","","2657.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 F6 O3 -","- C32 H26 F6 O3 -","- C128 H104 F24 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1389","0.0765","","","0.179","0.2258","","","","","","1.013","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029401","10.0529","0.0014","12.8185","0.0018","13.4817","0.0019","102.978","0.002","111.583","0.002","93.167","0.003","1555.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C72 H76 O16 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.084","0.0569","","","0.1658","0.1912","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029402","20.42","0.0008","10.0168","0.0004","23.6874","0.001","90","","90","","90","","4845.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F2 O3 -","- C30 H26 F2 O3 -","- C240 H208 F16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0548","0.037","","","0.0864","0.0973","","","","","","1.023","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029403","8.7765","0.0007","26.7134","0.0018","23.5585","0.0016","90","","90","","90","","5523.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F6 O3 -","- C32 H26 F6 O3 -","- C256 H208 F48 O24 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1506","0.0549","","","0.0992","0.1321","","","","","","0.842","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029404","14.6805","0.0002","15.8549","0.0002","10.8348","0.0002","90","","90","","90","","2521.88","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0559","0.044","","","0.0992","0.1045","","","","","","1.115","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029405","10.2734","0.0003","15.6266","0.0004","16.2315","0.0004","107.797","0.002","90.011","0.002","91.077","0.002","2480.59","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0812","0.0632","","","0.1582","0.1667","","","","","","1.082","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029406","24.0553","0.0006","9.1097","0.0002","24.6742","0.0006","90","","98.351","0.002","90","","5349.7","0.2","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C256 H256 O40 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1181","0.056","","","0.1353","0.1669","","","","","","1.018","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029407","10.3767","0.0002","12.3787","0.0003","21.9131","0.0005","87.931","0.002","84.966","0.002","88.166","0.002","2800.88","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C136 H136 O24 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1149","0.059","","","0.1342","0.1595","","","","","","0.999","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029408","10.9755","0.0001","11.2553","0.0002","22.7841","0.0003","90","","94.201","0.001","90","","2807.02","0.07","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C34.5 H37 N O1.5 -","- C34.5 H37 N O1.5 -","- C138 H148 N4 O6 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0525","0.0443","","","0.1118","0.1187","","","","","","0.764","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029409","21.8582","0.0009","11.2916","0.0005","20.2879","0.0008","90","","99.753","0.003","90","","4935","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N2 O6 -","- C30 H24 N2 O6 -","- C240 H192 N16 O48 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0947","0.0567","","","0.136","0.156","","","","","","1.036","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029410","9.5203","0.0011","23.024","0.003","11.6499","0.0014","90","","100.456","0.003","90","","2511.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C128 H96 N8 O8 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1614","0.0659","","","0.1538","0.1834","","","","","","0.865","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029411","6.867","0.002","14.544","0.005","15.106","0.005","83.765","0.005","89.255","0.006","89.174","0.006","1499.5","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C72 H76 O16 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2381","0.0728","","","0.1311","0.192","","","","","","0.901","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029412","8.0506","0.0003","13.1393","0.0006","13.3586","0.0006","68.499","0.002","76.048","0.003","76.844","0.003","1260.68","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C64 H64 O10 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0779","0.0472","","","0.0962","0.1073","","","","","","0.873","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029413","12.0322","0.0003","11.9498","0.0003","20.361","0.0005","90","","100.039","0.002","90","","2882.73","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O6 -","- C34 H38 O6 -","- C136 H152 O24 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0934","0.0471","","","0.0898","0.1064","","","","","","1.002","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029414","23.741","0.0017","8.7785","0.0006","28.77","0.002","90","","103.418","0.005","90","","5832.3","0.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H32 F6 N2 O -","- C34 H32 F6 N2 O -","- C272 H256 F48 N16 O8 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2451","0.1234","","","0.2525","0.2941","","","","","","1.239","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029415","10.3391","0.0003","22.1229","0.0006","10.9627","0.0003","90","","110.352","0.002","90","","2350.97","0.12","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 -","- C32 H30 -","- C128 H120 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1432","0.0806","","","0.211","0.2366","","","","","","1.056","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029416","11.834","0.003","21.682","0.006","21.523","0.006","90","","94.25","0.005","90","","5507","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C272 H272 O48 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2701","0.0551","","","0.0728","0.1163","","","","","","0.654","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029417","11.173","0.008","25.204","0.019","9.16","0.007","90","","102.144","0.013","90","","2522","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O -","- C32 H31 N O -","- C128 H124 N4 O4 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.3569","0.0914","","","0.175","0.2941","","","","","","0.86","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029418","11.7883","0.0006","17.9576","0.0009","14.1225","0.0007","90","","90.594","0.004","90","","2989.4","0.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl2 N3 O3 -","- C33 H33 Cl2 N3 O3 -","- C132 H132 Cl8 N12 O12 -","4","2","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","1.54178","CuKα","","0.0797","0.0618","","","0.1624","0.1786","","","","","","1.026","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029419","14.5913","0.0009","14.5913","0.0009","24.0429","0.0016","90","","90","","120","","4433.1","0.5","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H28 Cl N3 O2 -","- C31 H28 Cl N3 O2 -","- C186 H168 Cl6 N18 O12 -","6","1","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","0.71073","MoKα","","0.1722","0.0772","","","0.1742","0.1958","","","","","","0.999","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029420","6.644","0.0004","10.4808","0.0006","15.2251","0.0008","90","","100.429","0.003","90","","1042.68","0.1","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Bisht, Rajesh H.; Gonnade, Rajesh G.; Biju, Akkattu T.","Diels-Alder Reaction of Tropones with Arynes: Synthesis of Functionalized Benzobicyclo[3.2.2]nonatrienones.","The Journal of organic chemistry","2014","79","10","4757","4762","10.1021/jo500819w","","","0.71073","MoKα","","0.0414","0.0381","","","0.0967","0.0995","","","","","","1.028","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029425","9.1343","0.0007","6.8955","0.0005","20.2243","0.0015","90","","91.191","0.002","90","","1273.56","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","C-2 deoxy Glycoside","Bboc-protected iodo sugar","","- C20 H29 I N O11 -","- C20 H29 I N O11 -","- C40 H58 I2 N2 O22 -","2","1","","Islam, Maidul; Tirukoti, Nishanth D.; Nandi, Shyamapada; Hotha, Srinivas","Hypervalent iodine mediated synthesis of C-2 deoxy glycosides and amino Acid glycoconjugates.","The Journal of organic chemistry","2014","79","10","4470","4476","10.1021/jo500465m","","","1.54178","CuKα","","0.0328","0.0326","","","0.0827","0.083","","","","","","1.062","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029426","10.12","0.002","10.669","0.002","16.642","0.003","90","","106.45","0.03","90","","1723.3","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","En, Da; Zou, Gong-Feng; Guo, Yuan; Liao, Wei-Wei","Nucleophilic Phosphine-Catalyzed Intramolecular Michael Reactions of N-Allylic Substituted α-Amino Nitriles: Construction of Functionalized Pyrrolidine Rings via 5-endo-trig Cyclizations.","The Journal of organic chemistry","2014","79","10","4456","4462","10.1021/jo500418s","","","0.71073","MoKα","","0.056","0.0447","","","0.1237","0.1303","","","","","","1.08","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029427","13.685","0.0007","20.3904","0.0014","17.52","0.001","90","","105.773","0.004","90","","4704.7","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H132 Cl6 N12 O39 -","- C66 H132 Cl6 N12 O39 -","- C132 H264 Cl12 N24 O78 -","2","1","","Faggi, Enrico; Moure, Alejandra; Bolte, Michael; Vicent, Cristian; Luis, Santiago V.; Alfonso, Ignacio","Pseudopeptidic cages as receptors for N-protected dipeptides.","The Journal of organic chemistry","2014","79","10","4590","4601","10.1021/jo500629d","","","0.71073","MoKα","","0.1278","0.1158","","","0.32","0.3353","","","","","","1.265","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029428","41.527","0.006","11.0922","0.0017","26.113","0.004","90","","123.323","0.003","90","","10051","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 Br N4 O4 -","- C25 H25 Br N4 O4 -","- C400 H400 Br16 N64 O64 -","16","4","","Li, Tian-Ze; Wang, Xi-Bo; Sha, Feng; Wu, Xin-Yan","Organocatalyzed enantioselective mannich reaction of pyrazoleamides with isatin-derived ketimines.","The Journal of organic chemistry","2014","79","10","4332","4339","10.1021/jo500145w","","","0.71073","MoKα","","0.1365","0.0568","","","0.1117","0.1387","","","","","","0.969","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029429","13.77","0.003","9.3234","0.0015","17.015","0.003","90","","101.934","0.002","90","","2137.2","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 Se -","- C27 H20 N2 Se -","- C108 H80 N8 Se4 -","4","1","","Murai, Toshiaki; Yamaguchi, Kirara; Hori, Fumihiko; Maruyama, Toshifumi","Reaction of selenoamide dianions with thio- and selenoformamides leading to the formation of 5-aminoselenazoles: photophysical and electrochemical properties.","The Journal of organic chemistry","2014","79","11","4930","4939","10.1021/jo500499g","","","0.71075","MoKα","","0.0362","0.0301","","","0.0758","0.0795","","","","","","1.044","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029430","9.0667","0.0016","9.4296","0.0016","9.8594","0.0018","112.774","0.004","98.136","0.004","107.001","0.004","711.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Orejarena Pacheco, Julio Cesar; Opatz, Till","Ring Expansion of 1,2,3,4-Tetrahydroisoquinolines to Dibenzo[c,f]azonines. An Unexpected [1,4]-Sigmatropic Rearrangement of Nitrile-Stabilized Ammonium Ylides.","The Journal of organic chemistry","2014","79","11","5182","5192","10.1021/jo500749x","","","0.71073","MoKα","","0.0459","0.0414","","","0.1045","0.1087","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029431","14.3891","0.0008","9.2391","0.0006","13.2215","0.0009","90","","107.576","0.002","90","","1675.64","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Orejarena Pacheco, Julio Cesar; Opatz, Till","Ring Expansion of 1,2,3,4-Tetrahydroisoquinolines to Dibenzo[c,f]azonines. An Unexpected [1,4]-Sigmatropic Rearrangement of Nitrile-Stabilized Ammonium Ylides.","The Journal of organic chemistry","2014","79","11","5182","5192","10.1021/jo500749x","","","0.71073","MoKα","","0.0571","0.041","","","0.1003","0.109","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029432","6.4802","0.0003","13.1979","0.0005","25.4488","0.0009","90","","90","","90","","2176.51","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C100 H116 N4 O24 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0355","0.0332","","","0.0877","0.0891","","","","","","1.024","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029433","5.8822","0.0003","15.7145","0.0008","16.2267","0.0007","90","","90","","90","","1499.93","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0388","0.0377","","","0.107","0.1082","","","","","","1.041","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029434","9.4852","0.0001","16.6744","0.0002","15.2017","0.0002","90","","94.942","0.001","90","","2395.36","0.05","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O4 -","- C27 H23 N3 O4 -","- C108 H92 N12 O16 -","4","1","","Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles.","The Journal of organic chemistry","2014","79","11","5305","5314","10.1021/jo500432c","","","1.54184","CuKα","","0.0497","0.0434","","","0.1295","0.1372","","","","","","1.06","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029435","10.2604","0.0004","15.8897","0.0005","13.009","0.0006","90","","108.475","0.004","90","","2011.61","0.14","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 S -","- C23 H18 N2 O4 S -","- C92 H72 N8 O16 S4 -","4","1","","Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles.","The Journal of organic chemistry","2014","79","11","5305","5314","10.1021/jo500432c","","","0.71073","MoKα","","0.0769","0.0538","","","0.1277","0.1423","","","","","","1.036","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029436","23.162","0.001","11.5821","0.0005","11.2981","0.0004","90","","100.997","0.002","90","","2975.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O8 -","- C32 H36 O8 -","- C128 H144 O32 -","4","1","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.0879","0.0509","","","0.1202","0.1467","","","","","","1.09","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029437","12.15","0.005","10.181","0.005","18.898","0.005","90","0.005","95.579","0.005","90","0.005","2326.6","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.1073","0.0565","","","0.137","0.1654","","","","","","1.022","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029438","12.0165","0.0003","16.3915","0.0004","18.4237","0.0004","114.762","0.001","103.433","0.001","92.396","0.001","3165.08","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Cl2 O7 -","- C36 H38 Cl2 O7 -","- C144 H152 Cl8 O28 -","4","2","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.083","0.0455","","","0.1064","0.1351","","","","","","1.052","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029439","46.9596","0.0011","12.7191","0.0003","20.5382","0.0005","90","","107.083","0.002","90","","11725.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H44 O8 -","- C28 H44 O8 -","- C448 H704 O128 -","16","4","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.3114","0.0619","","","0.1422","0.2927","","","","","","0.939","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029440","17.077","0.003","17.49","0.003","17.638","0.003","102.333","0.008","92.957","0.008","117.285","0.006","4505.6","1.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H36 O7 -","- C23 H36 O7 -","- C184 H288 O56 -","8","4","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.2987","0.0659","","","0.1457","0.2682","","","","","","0.923","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029445","6.993","0.003","8.884","0.004","26.801","0.007","90","","90","","90","","1665","1.1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0435","0.0338","","","0.0849","0.0897","","","","","","1.059","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029446","6.2114","0.0015","7.8271","0.0019","34.589","0.009","90","","90","","90","","1681.6","0.7","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0548","0.0396","","","0.1019","0.1078","","","","","","1.03","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029447","7.043","0.002","19.934","0.008","13.754","0.005","90","","90.379","0.016","90","","1931","1.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0613","0.0424","","","0.1178","0.1281","","","","","","1.051","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029448","12.393","0.003","10.745","0.002","13.09","0.003","90","","100.07","0.03","90","","1716.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 N2 O2 S -","- C18 H15 F3 N2 O2 S -","- C72 H60 F12 N8 O8 S4 -","4","1","","Wang, Nuancheng; Li, Renhe; Li, Liubo; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed Intermolecular Amidation with Azides via C(sp(3))-H Functionalization.","The Journal of organic chemistry","2014","79","11","5379","5385","10.1021/jo5008515","","","0.71073","MoKα","","0.0531","0.0408","","","0.1101","0.1176","","","","","","1.071","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029449","10.1714","0.001","10.7715","0.0011","16.287","0.0016","90","","90","","90","","1784.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Curto, John M.; Kozlowski, Marisa C.","α-Allyl-α-aryl α-Amino Esters in the Asymmetric Synthesis of Acyclic and Cyclic Amino Acid Derivatives by Alkene Metathesis.","The Journal of organic chemistry","2014","79","11","5359","5364","10.1021/jo500707t","","","1.54178","CuKα","","0.0237","0.0235","","","0.0589","0.0591","","","","","","1.11","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029450","8.9709","0.0008","14.6155","0.0013","18.1662","0.0017","90","","90","","90","","2381.8","0.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F3 N O7 -","- C23 H28 F3 N O7 -","- C92 H112 F12 N4 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0369","0.0304","","","0.0677","0.0705","","","","","","1.057","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029451","7.321","0.006","11.808","0.009","9.419","0.008","90","","110.277","0.01","90","","763.8","1.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 -","- C14 H23 N O5 -","- C28 H46 N2 O10 -","2","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0509","0.0371","","","0.0765","0.0803","","","","","","0.951","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029452","16.598","0.006","11.093","0.004","13.208","0.004","90","","90","","90","","2431.9","1.4","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0324","0.0287","","","0.0688","0.0709","","","","","","1.044","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029453","11.046","0.005","16.939","0.007","13.237","0.006","90","","90","","90","","2476.8","1.9","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0456","0.0369","","","0.097","0.1075","","","","","","1.076","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029454","9.909","0.004","12.774","0.005","19.563","0.008","90","","90","","90","","2476.2","1.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O7 S -","- C25 H34 N2 O7 S -","- C100 H136 N8 O28 S4 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0298","0.0263","","","0.062","0.0637","","","","","","1.048","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029455","10.0129","0.0019","17.402","0.003","20.03","0.004","90","","90","","90","","3490.1","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 Br N3 O10 -","- C34 H48 Br N3 O10 -","- C136 H192 Br4 N12 O40 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0226","0.0205","","","0.054","0.0546","","","","","","1.081","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029456","7.583","0.003","8.075","0.003","28.833","0.014","90","","95.49","0.03","90","","1757.4","1.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N4 O -","- C19 H21 Cl N4 O -","- C76 H84 Cl4 N16 O4 -","4","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0668","0.0448","","","0.1129","0.1245","","","","","","1.054","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029457","21.4045","0.0017","9.0833","0.0008","17.5993","0.0013","90","","94.482","0.002","90","","3411.3","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F N5 O3 -","- C18 H18 F N5 O3 -","- C144 H144 F8 N40 O24 -","8","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0538","0.0382","","","0.0895","0.0984","","","","","","1.015","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029458","8.9862","0.0008","9.873","0.0009","10.3897","0.0009","115.309","0.002","100.343","0.003","104.653","0.003","761.34","0.12","101","","100.94","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Br Cl N3 O3 -","- C14 H15 Br Cl N3 O3 -","- C28 H30 Br2 Cl2 N6 O6 -","2","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0383","0.0349","","","0.1038","0.1068","","","","","","1.071","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029459","4.878","0.002","16.418","0.007","19.847","0.009","90","","90","","90","","1589.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O3 -","- C18 H17 Cl O3 -","- C72 H68 Cl4 O12 -","4","1","","Zeng, Zhongyi; Yang, Dingqiao; Long, Yuhua; Pan, Xuejing; Huang, Guobao; Zuo, Xiongjun; Zhou, Wen","Nickel-catalyzed asymmetric ring opening of oxabenzonorbornadienes with arylboronic acids.","The Journal of organic chemistry","2014","79","11","5249","5257","10.1021/jo500821m","","","0.71073","MoKα","","0.1562","0.0657","","","0.1505","0.1847","","","","","","1.116","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029460","11.119","0.008","11.175","0.007","18.547","0.015","77.91","0.05","84.55","0.05","60.74","0.03","1966","3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C72 H114 N6 O24 -","6","3","","Zhou, Lili; Yao, Yanmin; Xu, Wenbo; Liang, Guangxin","Total Syntheses of (±)-Omphadiol and (±)-Pyxidatol C through a Cis-Fused 5,7-Carbocyclic Common Intermediate.","The Journal of organic chemistry","2014","79","11","5345","5350","10.1021/jo5006125","","","0.71073","MoKα","","0.1793","0.1133","","","0.2877","0.3432","","","","","","0.988","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029461","6.547","0.003","14.435","0.007","7.735","0.004","90","","108.659","0.018","90","","692.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 Cl2 O P -","- C14 H19 Cl2 O P -","- C28 H38 Cl4 O2 P2 -","2","1","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0457","0.037","","","0.0831","0.0889","","","","","","1.092","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029462","8.5927","0.001","12.5125","0.0011","9.8811","0.0011","90","","107.977","0.013","90","","1010.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H31 Cl2 O P -","- C26 H31 Cl2 O P -","- C52 H62 Cl4 O2 P2 -","2","0.5","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0444","0.0361","","","0.109","0.114","","","","","","0.921","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029463","13.7657","0.001","6.5028","0.0006","20.58","0.0014","90","","91.615","0.008","90","","1841.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 O P -","- C22 H27 Cl2 O P -","- C88 H108 Cl8 O4 P4 -","4","1","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0529","0.034","","","0.0893","0.0996","","","","","","0.676","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029464","7.1772","0.0005","7.3897","0.0005","20.5531","0.0013","90","","91.23","0.003","90","","1089.83","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 S Si -","- C18 H26 N2 O5 S Si -","- C36 H52 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0619","0.0585","","","0.1523","0.1561","","","","","","1.042","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029465","6.1282","0.0012","8.0712","0.0016","36.366","0.007","90","","90","","90","","1798.7","0.6","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O5 S -","- C17 H20 N2 O5 S -","- C68 H80 N8 O20 S4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0385","0.0381","","","0.0857","0.0859","","","","","","1.233","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029466","7.2155","0.0004","7.3686","0.0004","21.8244","0.0011","90","","91.207","0.003","90","","1160.11","0.11","158","1","158","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0432","","","0.1026","0.1108","","","","","","1.036","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029467","12.4009","0.0005","7.2781","0.0003","12.4672","0.0005","90","","94.562","0.001","90","","1121.66","0.08","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C44 H60 N4 O8 S4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0353","0.0321","","","0.0855","0.0897","","","","","","1.058","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029468","12.5959","0.0011","12.7985","0.0011","18.2292","0.0016","90","","90","","90","","2938.7","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Co2 N O9 S Si -","- C22 H31 Co2 N O9 S Si -","- C88 H124 Co8 N4 O36 S4 Si4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0403","0.0372","","","0.0857","0.087","","","","","","1.24","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029469","7.7299","0.0005","8.0026","0.0006","21.4995","0.0016","90","","91.981","0.003","90","","1329.15","0.16","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","2","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0218","0.0215","","","0.0575","0.058","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029470","7.6048","0.0005","7.3949","0.0005","13.9958","0.0011","90","","94.525","0.003","90","","784.62","0.1","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C32 H32 N4 O8 S2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.036","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029471","7.3131","0.0002","12.6022","0.0004","28.2003","0.0009","90","","95.198","0.002","90","","2588.28","0.14","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C88 H112 N16 O32 S8 -","8","4","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0371","","","0.0673","0.0734","","","","","","1.01","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029472","9.956","0.0004","7.927","0.0003","14.0034","0.0006","90","","96.822","0.002","90","","1097.34","0.08","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0233","0.0225","","","0.062","0.0628","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029474","9.5645","0.0009","15.6682","0.0017","17.0313","0.0018","90","","95.23","0.001","90","","2541.7","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N6 -","- C29 H26 N6 -","- C116 H104 N24 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.1205","0.0546","","","0.1289","0.1844","","","","","","1.061","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029475","18.4011","0.0016","6.1969","0.0005","23.223","0.002","90","","105.394","0.002","90","","2553.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br2 N4 O -","- C28 H22 Br2 N4 O -","- C112 H88 Br8 N16 O4 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.2586","0.1119","","","0.2151","0.256","","","","","","1.059","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029476","9.585","0.0006","12.7985","0.0007","18.4861","0.0012","90","","91.299","0.001","90","","2267.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl2 N6 -","- C26 H20 Cl2 N6 -","- C104 H80 Cl8 N24 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.094","0.0518","","","0.1015","0.1245","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029477","32.018","0.003","9.2309","0.0005","21.6503","0.0014","90","","110.711","0.002","90","","5985.3","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N6 O2 -","- C36 H30 N6 O2 -","- C288 H240 N48 O16 -","8","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.1438","0.0565","","","0.0833","0.1038","","","","","","1.004","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029478","47.727","0.009","14.35","0.003","17.94","0.004","90","","102.5","0.03","90","","11996","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 Cl3 N8 O8 -","- C47 H55 Cl3 N8 O8 -","- C376 H440 Cl24 N64 O64 -","8","1","","Shang, Jie; Gallagher, Nolan M.; Bie, Fusheng; Li, Qiaolian; Che, Yanke; Wang, Ying; Jiang, Hua","Aromatic triazole foldamers induced by C-h···x (x = f, cl) intramolecular hydrogen bonding.","The Journal of organic chemistry","2014","79","11","5134","5144","10.1021/jo500582c","","","0.71073","MoKα","","0.1604","0.1162","","","0.2877","0.3083","","","","","","1.352","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029479","9.6484","0.0019","13.075","0.003","28.303","0.006","90","","98.2","0.03","90","","3534","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 F3 N6 O6 -","- C37 H37 F3 N6 O6 -","- C148 H148 F12 N24 O24 -","4","1","","Shang, Jie; Gallagher, Nolan M.; Bie, Fusheng; Li, Qiaolian; Che, Yanke; Wang, Ying; Jiang, Hua","Aromatic triazole foldamers induced by C-h···x (x = f, cl) intramolecular hydrogen bonding.","The Journal of organic chemistry","2014","79","11","5134","5144","10.1021/jo500582c","","","0.71073","MoKα","","0.1483","0.1041","","","0.1825","0.2018","","","","","","1.174","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029480","10.379","0.002","33.918","0.007","19.627","0.004","90","","99.06","0.03","90","","6823","2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H103 N18 O11 -","- C55 H107.5 N18 O11 -","- C220 H430 N72 O44 -","4","2","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0541","0.0517","","","0.1359","0.1384","","","","","","1.016","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029481","18.609","0.004","20","0.004","21.577","0.004","90","","107.06","0.03","90","","7677","3","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C58 H111 N19 O11 -","- C58 H111 N19 O11 -","- C232 H444 N76 O44 -","4","1","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0899","0.0827","","","0.2159","0.2237","","","","","","1.06","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029482","10.4871","0.0005","11.1272","0.0005","19.6809","0.0009","90","","90","","90","","2296.6","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 B2 N3 O5 -","- C20 H37 B2 N3 O5 -","- C80 H148 B8 N12 O20 -","4","1","","Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Boryl azides in 1,3-dipolar cycloadditions.","The Journal of organic chemistry","2014","79","12","5478","5483","10.1021/jo500549m","","","1.54178","CuKα","","0.0306","0.0277","","","0.0641","0.0656","","","","","","1.003","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029483","7.2695","0.0009","15.2273","0.0019","8.6831","0.0011","90","","107.665","0.005","90","","915.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 N3 O -","- C8 H15 N3 O -","- C32 H60 N12 O4 -","4","1","","Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Boryl azides in 1,3-dipolar cycloadditions.","The Journal of organic chemistry","2014","79","12","5478","5483","10.1021/jo500549m","","","0.71073","MoKα","","0.0721","0.0444","","","0.1122","0.1309","","","","","","0.874","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029504","17.0237","0.0006","9.7682","0.0003","14.0662","0.0004","90","","93.164","0.002","90","","2335.52","0.13","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl4 N4 -","- C24 H16 Cl4 N4 -","- C96 H64 Cl16 N16 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0706","0.0454","","","0.1094","0.1271","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029505","4.164","0.0003","26.744","0.0019","11.3686","0.0008","90","","92.945","0.004","90","","1264.36","0.16","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0474","0.0325","","","0.1058","0.1212","","","","","","0.909","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029506","7.3168","0.0014","10.967","0.002","14.476","0.003","87.087","0.003","77.914","0.003","79.985","0.003","1118.4","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C48 H32 Cl8 N8 -","4","2","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.1327","0.0555","","","0.1009","0.1202","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029507","13.6016","0.0011","5.1312","0.0004","16.377","0.0012","90","","94.686","0.004","90","","1139.17","0.15","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C48 H32 Cl8 N8 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0759","0.0375","","","0.0695","0.081","","","","","","1.018","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029508","10.1565","0.0014","10.4149","0.0014","11.8711","0.0016","96.047","0.002","110.545","0.002","105.94","0.002","1101.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","ubsd01","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C50 H44 N4 O12 S2 -","2","1","","French, Jonathan M.; Diver, Steven T.","Gold(I)-Promoted Heterocyclization of Internal Alkynes: A Comparative Study of Direct Metallate 5-endo-dig Cyclization versus a Stepwise Cyclization.","The Journal of organic chemistry","2014","79","12","5569","5585","10.1021/jo500748e","","","0.71073","MoKα","","0.0928","0.0552","","","0.1306","0.1532","","","","","","1.057","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029509","9.088","0.004","12.184","0.003","15.086","0.003","101.612","0.02","90.49","0.03","107.47","0.03","1556.5","0.9","297.8","0.8","297.8","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","","Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz","Tandem Reactions via Barton Esters with Intermolecular Addition and Vinyl Radical Substitution onto Indole.","The Journal of organic chemistry","2014","79","12","5903","5907","10.1021/jo5008543","","","0.71073","MoKα","","0.2932","0.1188","","","0.1879","0.2696","","","","","","0.94","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029510","9.2424","0.0014","10.0425","0.0019","11.6734","0.0018","66.357","0.016","76.443","0.013","63.89","0.016","889","0.3","297","0.1","297","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz","Tandem Reactions via Barton Esters with Intermolecular Addition and Vinyl Radical Substitution onto Indole.","The Journal of organic chemistry","2014","79","12","5903","5907","10.1021/jo5008543","","","0.71073","MoKα","","0.1187","0.084","","","0.2505","0.281","","","","","","1.049","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029511","7.2917","0.0012","12.21","0.002","9.926","0.0017","90","","107.842","0.008","90","","841.2","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C38 H56 O8 -","2","1","","Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.","Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.","The Journal of organic chemistry","2014","79","12","5636","5643","10.1021/jo500813n","","","0.71073","MoKα","","0.0434","0.0364","","","0.0843","0.0887","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029512","15.9947","0.0008","6.2325","0.0002","21.7799","0.0008","90","","99.498","0.004","90","","2141.41","0.15","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C24 H40 O3 -","- C24 H40 O3 -","- C96 H160 O12 -","4","1","","Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.","Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.","The Journal of organic chemistry","2014","79","12","5636","5643","10.1021/jo500813n","","","0.71073","MoKα","","0.0469","0.0375","","","0.0834","0.0883","","","","","","1.033","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029513","13.9132","0.0008","17.1884","0.001","38.339","0.003","90","","90","","90","","9168.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H140 N6 O10 -","- C96 H140 N6 O10 -","- C384 H560 N24 O40 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","1.54178","CuKα","","0.122","0.102","","","0.2803","0.2975","","","","","","1.103","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029514","22.564","0.002","21.265","0.002","23.331","0.002","90","","90.599","0.003","90","","11194.1","1.7","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C120 H138 N14 O24 -","- C120 H138 N14 O24 -","- C480 H552 N56 O96 -","4","2","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1559","0.1064","","","0.2662","0.3107","","","","","","1.073","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029515","18.841","0.004","33.095","0.007","21.482","0.005","90","","95.513","0.008","90","","13333","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H160.5 Cl6 N17.5 O11 -","- C144 H160.5 Cl6 N17.5 O11 -","- C576 H642 Cl24 N70 O44 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1272","0.0906","","","0.2315","0.2618","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029516","18.928","0.002","33.493","0.004","20.956","0.002","90","","94.462","0.004","90","","13245","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140.75 H156.75 Cl5.25 N15 O9 -","- C140.76 H156.76 Cl5.27 N15 O9 -","- C563.04 H627.04 Cl21.08 N60 O36 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.2054","0.1398","","","0.3747","0.4022","","","","","","2.32","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029517","17.391","0.002","18.813","0.002","21.08","0.003","75.75","0.004","80.301","0.004","64.164","0.004","6001.7","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C127.85 H148.7 Cl3.45 N15.85 O25 -","- C127.85 H148.7 Cl3.45 N15.85 O25 -","- C255.7 H297.4 Cl6.9 N31.7 O50 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1716","0.1183","","","0.3114","0.344","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029518","16.6712","0.0012","19.0842","0.0013","20.6478","0.0015","87.705","0.003","83.78","0.002","87.876","0.002","6521.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H160 Cl6 N16 O10 -","- C144 H160 Cl6 N16 O10 -","- C288 H320 Cl12 N32 O20 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1602","0.1249","","","0.352","0.3729","","","","","","2.7","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029519","16.5188","0.0012","17.8039","0.0012","21.7829","0.0015","95.035","0.002","105.878","0.002","102.007","0.002","5955.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C129.75 H148 Cl3.75 N14.25 O8 -","- C129.75 H148 Cl3.75 N14.25 O8 -","- C259.5 H296 Cl7.5 N28.5 O16 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1232","0.0962","","","0.2718","0.2968","","","","","","1.043","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029520","16.893","0.0012","33.201","0.002","22.7244","0.0014","90","","105.709","0.002","90","","12269.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134.75 H149.5 Cl6.75 N15.75 O9 -","- C134.75 H149.5 Cl6.75 N15.75 O9 -","- C539 H598 Cl27 N63 O36 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.2367","0.1726","","","0.4108","0.4278","","","","","","2.335","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029521","7.84822","0.00016","8.2682","0.0002","26.3414","0.0005","90","","90","","90","","1709.31","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0323","","","","0.0915","","","","","","1.112","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029522","7.90888","0.00019","8.8674","0.0003","9.2796","0.0003","83.012","0.002","69.9059","0.0017","75.1847","0.0019","590.45","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C22 H28 N4 O6 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0404","","","","0.1295","","","","","","1.661","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029523","6.53799","0.00012","13.6252","0.0003","18.5986","0.0004","90","","90","","90","","1656.79","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0331","","","","0.0942","","","","","","1.118","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029524","6.55092","0.00012","8.59104","0.00016","23.0273","0.0005","90","","90","","90","","1295.96","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.033","","","","0.0881","","","","","","1.05","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029525","7.8482","0.0003","8.2717","0.0003","26.3382","0.0007","90","","90","","90","","1709.82","0.1","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0433","","","","0.1246","","","","","","1.265","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029526","9.19794","0.00017","10.68037","0.00019","12.7106","0.0003","90","","90","","90","","1248.66","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0434","","","","0.08","","","","","","1.837","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029527","7.709","0.0003","8.0411","0.0002","13.5247","0.0004","80.1484","0.0017","89.0366","0.0019","76.3943","0.0017","802.6","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C34 H40 N4 O4 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0544","","","","0.1241","","","","","","3.36","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029528","9.1971","0.0003","10.6801","0.0003","12.7121","0.0003","90","","90","","90","","1248.66","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0339","","","","0.0926","","","","","","1.105","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029529","7.9146","0.0003","8.8541","0.0003","9.1732","0.0003","104.507","0.0018","95.7341","0.0019","110.408","0.0018","570.71","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C22 H32 N4 O4 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0386","","","","0.1344","","","","","","1.52","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029530","7.53664","0.0001","24.0628","0.0004","7.45283","0.0001","90","","111.955","","90","","1253.57","0.03","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0379","","","","0.1116","","","","","","1.32","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029531","7.124","0.015","7.495","0.016","11.828","0.018","96.72","0.04","100.31","0.02","108.79","0.06","578","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 F N O S -","- C14 H10 F N O S -","- C28 H20 F2 N2 O2 S2 -","2","1","","Cheng, Yannan; Peng, Qian; Fan, Weigang; Li, Pixu","Room-temperature ligand-free pd/c-catalyzed C-s bond formation: synthesis of 2-substituted benzothiazoles.","The Journal of organic chemistry","2014","79","12","5812","5819","10.1021/jo5002752","","","0.7107","MoKα","","0.1158","0.0867","","","0.2374","0.2804","","","","","","1.078","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029532","7.5685","0.0002","28.8622","0.0005","8.1132","0.0001","90","","90","","90","","1772.28","0.06","291","2","291","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H17 F3 O2 -","- C20 H17 F3 O2 -","- C80 H68 F12 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","1.54184","CuKα","","0.0526","0.0453","","","0.1242","0.133","","","","","","1.023","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029533","8.351","0.009","11.258","0.011","18.802","0.019","90","","90","","90","","1768","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","0.71073","MoKα","","0.2546","0.0532","","","0.0908","0.1592","","","","","","0.878","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029587","28.311","0.003","10.0361","0.0015","8.1588","0.0012","90","","90","","90","","2318.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C88 H96 Cl8 N24 O8 -","8","4","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1595","0.0808","","","0.1945","0.2428","","","","","","1.031","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029588","10.7516","0.0016","5.7473","0.0007","11.2884","0.0011","90","","104.7","0.014","90","","674.71","0.15","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C28 H28 N12 O2 -","2","1","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1105","0.0602","","","0.1188","0.1462","","","","","","0.985","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029589","16.973","0.006","6.849","0.002","18.923","0.007","90","","105.83","0.03","90","","2116.3","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N6 O6 -","- C18 H26 N6 O6 -","- C72 H104 N24 O24 -","4","2","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.2575","0.0666","","","0.1296","0.2207","","","","","","0.933","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029590","10.6543","0.0008","14.9406","0.0012","9.9564","0.0007","90","","104.191","0.008","90","","1536.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 O2 -","- C14 H20 N6 O2 -","- C56 H80 N24 O8 -","4","1","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1154","0.0639","","","0.1532","0.1823","","","","","","1.033","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029591","12.754","0.0004","6.03911","0.00017","19.9264","0.0007","90","","95.38","0.0015","90","","1528.03","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H56 O5 -","- C31 H56 O5 -","- C62 H112 O10 -","2","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","1.54186","CuKα","","0.0844","0.0564","","","0.1452","0.1772","","","","","","1.021","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029592","29.1632","0.0011","6.6782","0.0003","14.5294","0.0006","90","","98.666","0.001","90","","2797.4","0.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","0.71075","MoKα","","0.0388","0.036","","","0.095","0.0964","","","","","","1.052","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029593","14.9459","0.0004","19.7129","0.0005","36.9458","0.001","90","","90","","90","","10885.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H31 Cl2 F5 O9 -","- C79 H31 Cl2 F5 O9 -","- C632 H248 Cl16 F40 O72 -","8","1","","Liang, Sisi; Xu, Liang; Jia, Zhenshan; Gan, Liangbing","Pentafluorophenyl Transfer Reaction: Preparation of Pentafluorophenyl [60]Fullerene Adducts through Opening of Fullerene Epoxide Moiety with Trispentafluorophenylborane.","The Journal of organic chemistry","2014","79","12","5794","5798","10.1021/jo5009228","","","0.7107","MoKα","","0.0857","0.0615","","","0.1443","0.1589","","","","","","1.043","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029594","12.1532","0.00018","12.1532","0.00018","35.5177","0.0008","90","","90","","90","","5245.97","0.16","","","99.94","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C26 Br N2 O3 -","- C26 Br N2 O3 -","- C208 Br8 N16 O24 -","8","1","","Reeves, Jonathan T.; Lorenc, Chris; Camara, Kaddy; Li, Zhibin; Lee, Heewon; Busacca, Carl A.; Senanayake, Chris H.","Carbamoyl anion addition to nitrones.","The Journal of organic chemistry","2014","79","12","5895","5902","10.1021/jo500848a","","","1.54178","Cu","","0.0722","0.0673","","","","0.2038","","","","","","0.9885","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029595","5.9579","0.0004","8.2268","0.0007","29.991","0.002","90","","90","","90","","1469.99","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Dev, Dharm; Palakurthy, Nani Babu; Thalluri, Kishore; Chandra, Jyoti; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(2-nitrobenzenesulfonyloxyimino)acetate (o-NosylOXY): A Recyclable Coupling Reagent for Racemization-Free Synthesis of Peptide, Amide, Hydroxamate, and Ester.","The Journal of organic chemistry","2014","79","12","5420","5431","10.1021/jo500292m","","","0.71073","MoKα","","0.0994","0.0612","","","0.1567","0.1986","","","","","","0.917","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029600","10.603","0.002","14.746","0.003","10.89","0.002","90","","92.786","0.006","90","","1700.7","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H32 N2 O8 S -","- C40 H32 N2 O8 S -","- C80 H64 N4 O16 S2 -","2","1","","Mitra, Tapobrata; Jana, Saibal; Pandey, Sharmila; Bhattacharya, Prabuddha; Khamrai, Uttam K.; Anoop, Anakuthil; Basak, Amit","Asymmetric garratt-braverman cyclization: a route to axially chiral aryl naphthalene-amino Acid hybrids.","The Journal of organic chemistry","2014","79","12","5608","5616","10.1021/jo500771g","","","0.71073","MoKα","","0.1217","0.0519","","","0.0778","0.0976","","","","","","0.986","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4029601","8.8819","0.0017","13.355","0.003","16.688","0.003","102.679","0.005","97.844","0.006","90.512","0.005","1911.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O6 S -","- C22 H18 O6 S -","- C88 H72 O24 S4 -","4","2","","Mitra, Tapobrata; Jana, Saibal; Pandey, Sharmila; Bhattacharya, Prabuddha; Khamrai, Uttam K.; Anoop, Anakuthil; Basak, Amit","Asymmetric garratt-braverman cyclization: a route to axially chiral aryl naphthalene-amino Acid hybrids.","The Journal of organic chemistry","2014","79","12","5608","5616","10.1021/jo500771g","","","0.71073","MoKα","","0.0935","0.0628","","","0.155","0.1735","","","","","","1.052","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029602","32.815","0.008","11.058","0.003","25.545","0.006","90","","124.773","0.004","90","","7614","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cu F6 N4 P -","- C42 H48 Cu F6 N4 P -","- C336 H384 Cu8 F48 N32 P8 -","8","1","","Tran, Anh T.; Liu, Peng; Houk, K. N.; Nicholas, Kenneth M.","Regioselectivity in the cu(i)-catalyzed [4 + 2]-cycloaddition of 2-nitrosopyridine with unsymmetrical dienes.","The Journal of organic chemistry","2014","79","12","5617","5626","10.1021/jo5005907","","","0.71073","MoKα","","0.0702","0.0524","","","0.1151","0.1249","","","","","","1.007","","","","has coordinates","288477","2023-12-21","15:52:16",""
"4029603","10.7584","0.0003","41.2284","0.0011","9.1427","0.0002","90","","90","","90","","4055.26","0.18","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C224 H144 N48 -","16","1","","Li, Chao; Zhang, Wen-Ting; Wang, Xiang-Shan","CuI-Catalyzed C-N Bond Formation and Cleavage for the Synthesis of Benzimidazo[1,2-a]quinazoline Derivatives.","The Journal of organic chemistry","2014","79","12","5847","5851","10.1021/jo5007398","","","0.71073","MoKα","","0.0315","0.0273","","","0.0658","0.0688","","","","","","1.086","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029604","9.8867","0.0005","5.6677","0.0003","11.9084","0.0006","90","","98.44","0.005","90","","660.06","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 I O2 -","- C15 H11 I O2 -","- C30 H22 I2 O4 -","2","1","","Kong, Wei; Che, Chao; Wu, Jialin; Ma, Liai; Zhu, Gangguo","Pd-Catalyzed Regio- and Stereoselective Addition of Boronic Acids to Silylacetylenes: A Stereodivergent Assembly of β,β-Disubstituted Alkenylsilanes and Alkenyl Halides.","The Journal of organic chemistry","2014","79","12","5799","5805","10.1021/jo500925p","","","0.71073","MoKα","","0.0513","0.0409","","","0.0776","0.0851","","","","","","1.005","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029605","9.981","0.013","8.448","0.01","15.97","0.02","90","","103.21","0.02","90","","1311","3","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Ishihara, Jun; Tsuru, Hiroaki; Hatakeyama, Susumi","Total synthesis of (-)-dihydrosporothriolide utilizing an indium-mediated reformatsky-claisen rearrangement.","The Journal of organic chemistry","2014","79","12","5908","5913","10.1021/jo5008948","","","0.71075","MoKα","","","0.0386","","","","0.083","","","","","","0.995","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029606","10.8805","0.0002","17.9631","0.0006","10.2119","0.0007","90","","110.147","0.008","90","","1873.77","0.18","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-(R)-tert-butyl 2-((R)-3-acetyl-3,4-dihydroquinazolin-4-yl)-5-oxo-2,5 -dihydro-1H-pyrrole-1-carboxylate","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C76 H84 N12 O16 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0523","0.0434","","","0.1099","0.1376","","","","","","1.149","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029607","8.1942","0.0002","14.4078","0.0005","10.1791","0.0007","90","","96.39","0.007","90","","1194.28","0.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-acetyl-1,2-dihydrophthalazin-1-yl)furan-2(5H)-one","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0736","0.0551","","","0.1457","0.1825","","","","","","1.209","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029608","12.0964","0.0008","12.2829","0.0004","10.317","0.0002","90","","90","","90","","1532.89","0.12","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-(5-acetyl-5,6-dihydrophenanthridin-6-yl)furan-2(5H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0366","0.0345","","","0.0866","0.0896","","","","","","1.061","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029609","32.2117","0.0018","9.1944","0.0004","23.1388","0.0016","90","","132.2","0.009","90","","5076.7","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R)-tert-butyl 2-((R)-5-acetyl-5,6-dihydrophenanthridin-6-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate compound with deuterated chloroform (1:1)","","- C25 H24 Cl3 D N2 O4 -","- C25 H24 Cl3 D N2 O4 -","- C200 H192 Cl24 D8 N16 O32 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0944","0.057","","","0.153","0.1881","","","","","","1.04","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029610","11.2819","0.0003","16.3676","0.0004","23.2672","0.0016","90","","90","","90","","4296.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rac-(R)-tert-butyl 2-((R)-2-acetyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0888","0.0661","","","0.167","0.1877","","","","","","1.133","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029611","9.6682","0.0003","7.7791","0.0003","21.5345","0.0015","90","","98.014","0.007","90","","1603.79","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R)-methyl 6-((R)-5-oxo-2,5-dihydrofuran-2-yl)phenanthridine-5(6H)-carboxylate","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0814","0.0506","","","0.1425","0.1824","","","","","","1.098","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029612","9.5063","0.0008","15.9513","0.0014","26.92","0.002","90","","90","","90","","4082.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,5-dimethyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C40 H17 F15 N4 -","- C40 H17 F15 N4 -","- C160 H68 F60 N16 -","4","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","0.71073","MoKα","","0.1103","0.067","","","0.0688","0.0733","","","","","","1.451","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029613","8.3212","0.0009","14.29","0.0015","24.645","0.003","103.203","0.007","95.918","0.007","103.877","0.005","2730.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5-diphenyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C55 H26 F15 N5 -","- C55 H26 F15 N5 -","- C110 H52 F30 N10 -","2","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","1.54178","CuKα","","0.066","0.0628","","","0.2435","0.2484","","","","","","2.237","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029614","27.4367","0.0011","8.4546","0.0004","43.997","0.0017","90","","96.863","0.003","90","","10132.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-methyl-5-phenyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C45 H19 F15 N4 -","- C45 H19 F15 N4 -","- C360 H152 F120 N32 -","8","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","1.54178","CuKα","","0.1094","0.0769","","","0.198","0.215","","","","","","0.871","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029615","11.832","0.002","19.09","0.007","15.757","0.004","90","","100.83","0.02","90","","3495.7","1.7","296","0.1","296","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","","Zhou, Nini; Xie, Tao; Liu, Lin; Xie, Zhixiang","Cu/Mn Co-oxidized Cyclization for the Synthesis of Highly Substituted Pyrrole Derivatives from Amino Acid Esters: A Strategy for the Biomimetic Syntheses of Lycogarubin C and Chromopyrrolic Acid.","The Journal of organic chemistry","2014","79","13","6061","6068","10.1021/jo500740w","","","0.7107","MoKα","","0.1681","0.0851","","","0.1973","0.295","","","","","","0.947","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029616","19.3293","0.0013","4.6077","0.0003","14.1682","0.0009","90","","110.229","0.003","90","","1184.04","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AS-409","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","","Dürüst, Yaşar; Sağırlı, Akın","Microwave-Assisted Coupling Reaction of N-Aryl Sydnones with 2-Nitromethylenethiazolidine: Unexpected Formation of (Z)-2-(Nitro((E)-p-substitutedphenyldiazenyl)methylene)thiazolidines.","The Journal of organic chemistry","2014","79","13","6380","6384","10.1021/jo5010229","","","0.71073","MoKα","","0.0543","0.0379","","","0.0847","0.0927","","","","","","1.036","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029617","9.1941","0.0014","6.6988","0.001","13.353","0.002","90","","98.298","0.002","90","","813.8","0.2","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Bayir, Ali; Brewer, Matthias","Fragmentation of Bicyclic γ-Silyloxy-β-hydroxy-α-diazolactones as an Approach to Ynolides.","The Journal of organic chemistry","2014","79","13","6037","6046","10.1021/jo500634d","","","0.71073","MoKα","","0.0424","0.0386","","","0.1071","0.1111","","","","","","1.071","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029618","13.084","0.003","11.765","0.002","14.203","0.003","90","","105.26","0.03","90","","2109.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O3 -","- C29 H22 O3 -","- C116 H88 O12 -","4","1","","Zhu, Shifa; Huang, Hua; Zhang, Zhicai; Ma, Tongmei; Jiang, Huanfeng","Mechanistic insight into transition metal-catalyzed reaction of enynal/enynone with alkenes: metal-dependent reaction pathway.","The Journal of organic chemistry","2014","79","13","6113","6122","10.1021/jo500838x","","","0.71073","MoKα","","0.055","0.0411","","","0.1345","0.1487","","","","","","1.058","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029623","5.6255","0.0017","16.167","0.005","23.905","0.008","90","","93","0.006","90","","2171.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cl4 O8 -","- C48 H38 Cl4 O8 -","- C96 H76 Cl8 O16 -","2","0.5","","Alcaide, Benito; Almendros, Pedro; Quirós, M Teresa; Lázaro, Carlos; Torres, M. Rosario","Three-Step Metal-Promoted Allene-Based Preparation of Bis(heterocyclic) Cyclophanes from Carbonyl Compounds.","The Journal of organic chemistry","2014","79","13","6244","6255","10.1021/jo500993x","","","0.71073","MoKα","","0.2172","0.0605","","","0.1225","0.1501","","","","","","0.997","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029624","8.6543","0.0006","12.7816","0.0009","29.198","0.002","90","","90","","90","","3229.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 N2 O8 -","- C34 H40 N2 O8 -","- C136 H160 N8 O32 -","4","1","","Alcaide, Benito; Almendros, Pedro; Quirós, M Teresa; Lázaro, Carlos; Torres, M. Rosario","Three-Step Metal-Promoted Allene-Based Preparation of Bis(heterocyclic) Cyclophanes from Carbonyl Compounds.","The Journal of organic chemistry","2014","79","13","6244","6255","10.1021/jo500993x","","","0.71073","MoKα","","0.1333","0.0421","","","0.058","0.0685","","","","","","0.998","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029625","9.4436","0.0015","9.3132","0.0016","17.109","0.003","90","","93.774","0.004","90","","1501.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F O3 S -","- C16 H15 F O3 S -","- C64 H60 F4 O12 S4 -","4","1","","Wang, Wengui; Shen, Haiming; Wan, Xiao-Long; Chen, Qing-Yun; Guo, Yong","Enantioselective Pd-Catalyzed Allylation of Acyclic α-Fluorinated Ketones.","The Journal of organic chemistry","2014","79","13","6347","6353","10.1021/jo500923u","","","0.71073","MoKα","","0.0716","0.0463","","","0.1117","0.1266","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029626","8.9439","0.0015","11.99","0.002","14.673","0.002","107.716","0.012","96.599","0.013","100.669","0.013","1448.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O7 S2 -","- C28 H34 N2 O7 S2 -","- C56 H68 N4 O14 S4 -","2","1","","Beiginejad, Hadi; Nematollahi, Davood","Electrochemical synthesis of sulfonamide derivatives based on the oxidation of 2,5-diethoxy-4-morpholinoaniline in the presence of arylsulfinic acids.","The Journal of organic chemistry","2014","79","13","6326","6329","10.1021/jo500812d","","","0.71073","MoKα","","0.0912","0.0851","","","0.1918","0.1992","","","","","","1.573","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029627","6.3618","0.0004","14.8963","0.0013","26.543","0.002","90","","90","","90","","2515.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N5 O7 -","- C23 H29 N5 O7 -","- C92 H116 N20 O28 -","4","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0972","0.0466","","","0.0759","0.0873","","","","","","0.959","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029628","11.3992","0.0007","9.8228","0.0004","19.0001","0.0012","90","","94.297","0.002","90","","2121.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N10 O11 -","- C37 H45 N10 O11 -","- C74 H90 N20 O22 -","2","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0801","0.0534","","","0.1356","0.1504","","","","","","1.018","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029629","8.7493","0.0012","9.6705","0.0014","10.0013","0.0014","81.549","0.002","65.834","0.002","75.133","0.002","745.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Br N4 O -","- C14 H23 Br N4 O -","- C28 H46 Br2 N8 O2 -","2","1","","Semakin, Artem N.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Urotropine isomer (1,4,6,10-tetraazaadamantane): synthesis, structure, and chemistry.","The Journal of organic chemistry","2014","79","13","6079","6086","10.1021/jo5007703","","","0.71073","MoKα","","0.0366","0.0287","","","0.0661","0.0691","","","","","","1.007","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029630","11.10561","0.00017","12.50496","0.00019","14.4266","0.0002","90","","97.9938","0.0014","90","","1984.03","0.05","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N4 S Zn -","- C19 H18 Cl2 N4 S Zn -","- C76 H72 Cl8 N16 S4 Zn4 -","4","1","","Vonlanthen, Mireille; Connelly, Colleen M.; Deiters, Alexander; Linden, Anthony; Finney, Nathaniel S.","Thiourea-based fluorescent chemosensors for aqueous metal ion detection and cellular imaging.","The Journal of organic chemistry","2014","79","13","6054","6060","10.1021/jo500710g","","","0.71073","MoKα","","0.0335","0.026","","","0.0585","0.0627","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029631","5.2823","0.0005","43.495","0.004","9.5276","0.0006","90","","119.975","0.004","90","","1896.2","0.3","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 Br F4 O2 -","- C24 H11 Br F4 O2 -","- C96 H44 Br4 F16 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.1088","0.0894","","","0.179","0.1853","","","","","","1.272","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029632","9.8898","0.0007","26.9161","0.0019","7.5176","0.0005","90","","97.266","0.001","90","","1985.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 Br F3 O2 -","- C25 H14 Br F3 O2 -","- C100 H56 Br4 F12 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0656","0.0476","","","0.1044","0.111","","","","","","1.076","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029633","10.581","0.0015","25.437","0.004","7.4819","0.0011","90","","101.72","0.002","90","","1971.8","0.5","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 F4 I O2 -","- C24 H11 F4 I O2 -","- C96 H44 F16 I4 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0421","0.0312","","","0.0649","0.0689","","","","","","1.066","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029634","7.4366","0.0004","10.2527","0.0005","13.9827","0.0007","102.272","0.001","101.077","0.001","102.529","0.001","984.72","0.09","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H14 Cl F3 O2 -","- C25 H14 Cl F3 O2 -","- C50 H28 Cl2 F6 O4 -","2","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.042","0.0327","","","0.0788","0.0835","","","","","","1.035","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029635","11.1682","0.0011","7.7306","0.0008","21.808","0.002","90","","101.726","0.002","90","","1843.5","0.3","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 Br F4 N -","- C25 H10 Br F4 N -","- C100 H40 Br4 F16 N4 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0316","0.0258","","","0.0654","0.0678","","","","","","1.027","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029636","8.1996","0.0003","11.0966","0.0005","21.8061","0.0009","76.617","0.001","80.379","0.001","88.778","0.001","1902.75","0.14","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H10 F4 I N -","- C25 H10 F4 I N -","- C100 H40 F16 I4 N4 -","4","2","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0217","0.0194","","","0.0443","0.0455","","","","","","1.074","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029637","8.357","0.0005","10.5669","0.0009","10.885","0.0007","90","","90","","90","","961.23","0.12","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Takagi, Koji; Al-Amin, Mohammad; Hoshiya, Naoyuki; Wouters, Johan; Sugimoto, Hiroshi; Shiro, Yoshitsugu; Fukuda, Hayato; Shuto, Satoshi; Arisawa, Mitsuhiro","Palladium-Nanoparticle-Catalyzed 1,7-Palladium Migration Involving C-H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of N1-Arylbenzotriazoles and an Evaluation of Their Inhibitory Activity toward Indoleamine 2,3-Dioxygenase.","The Journal of organic chemistry","2014","79","13","6366","6371","10.1021/jo5009838","","","0.71073","MoKα","","0.0296","0.0286","","","0.0765","0.0772","","","","","","1.069","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029638","8.048","0.002","8.856","0.002","11.42","0.003","83.591","0.005","83.761","0.005","69.162","0.005","753.9","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0816","0.0646","","","0.1765","0.189","","","","","","1.063","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029639","11.8725","0.0016","13.22","0.0017","12.4188","0.0016","90","","102.876","0.003","90","","1900.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0591","0.0428","","","0.1021","0.1101","","","","","","1.035","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029640","11.919","0.003","12.417","0.003","14.246","0.004","65.888","0.005","68.574","0.005","80.752","0.005","1791.3","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","2","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.1056","0.0893","","","0.2455","0.2626","","","","","","1.019","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029641","17.8867","0.0014","13.1372","0.0011","7.7251","0.0006","90","","90.981","0.002","90","","1815","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0751","0.0497","","","0.1263","0.1361","","","","","","1.158","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029642","17.3561","0.0017","7.9958","0.0008","12.4699","0.0013","90","","115.147","0.001","90","","1566.5","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","0.5","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0516","0.0451","","","0.1173","0.1229","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029643","12.5816","0.0005","15.5161","0.0006","18.1947","0.0007","90","","97.332","0.001","90","","3522.9","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","2","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0721","0.0459","","","0.1132","0.1272","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029644","12.3999","0.0005","4.6759","0.0002","22.7022","0.0009","90","","105.674","0.002","90","","1267.34","0.09","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0545","0.0457","","","0.1261","0.132","","","","","","1.104","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029645","7.693","0.0003","11.2962","0.0005","11.8573","0.0005","74.464","0.001","71.929","0.001","83.348","0.001","943.2","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O4 -","- C25 H18 O4 -","- C50 H36 O8 -","2","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0543","0.0408","","","0.0978","0.1045","","","","","","1.051","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029646","31.285","0.005","12.3872","0.0019","9.6298","0.0017","90","","104.768","0.005","90","","3608.6","1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0862","0.0541","","","0.128","0.1423","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029647","9.6418","0.0003","27.8197","0.0007","13.1253","0.0003","90","","109.997","0.001","90","","3308.37","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C136 H152 Br8 O40 -","8","2","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.048","0.0472","","","0.136","0.1369","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029648","8.5989","0.0001","7.9316","0.0001","25.5665","0.0003","90","","91.71","0.001","90","","1742.94","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.0636","0.0381","","","0.0844","0.089","","","","","","0.803","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029649","7.69","0.0003","10.0039","0.0005","11.5864","0.0008","69.737","0.001","83.163","0.001","80.305","0.001","822.46","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.0409","0.04","","","0.1061","0.1068","","","","","","1.079","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029650","17.184","0.003","10.142","0.002","12.177","0.002","90","","106.912","0.002","90","","2030.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0688","0.0516","","","0.1443","0.1569","","","","","","1.004","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029651","9.0763","0.0005","12.2352","0.0005","12.0706","0.0007","90","","107.042","0.006","90","","1281.59","0.12","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0532","0.0395","","","0.0909","0.0987","","","","","","1.046","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029652","7.924","0.0005","10.1644","0.0008","11.0285","0.0008","110.602","0.007","110.187","0.007","95.953","0.006","754.32","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0625","0.0437","","","0.0967","0.1097","","","","","","1.036","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029653","12.3245","0.0005","12.522","0.0006","16.8567","0.0008","99.594","0.0014","110.951","0.0013","104.075","0.0014","2262.27","0.18","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H49 Cl3 N5 Na O6 -","- C43 H49 Cl3 N5 Na O6 -","- C86 H98 Cl6 N10 Na2 O12 -","2","1","","Lee, Jung Ha; Lee, Ji Hyun; Choi, Ye Rin; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Synthetic K+/Cl—Selective Symporter across a Phospholipid Membrane","The Journal of Organic Chemistry","2014","79","14","6403","","10.1021/jo501145z","","","0.71073","MoKα","","0.1505","0.0776","","","0.1901","0.2289","","","","","","1.021","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029656","6.282","0.015","25.09","0.06","6.268","0.015","90","","94.09","0.03","90","","985","4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Liang, Demin; Zou, Yue; Wang, Quanrui; Goeke, Andreas","Sequential Diels-Alder Reaction/Rearrangement Sequence: Synthesis of Functionalized Bicyclo[2.2.1]heptane Derivatives and Revision of Their Relative Configuration.","The Journal of organic chemistry","2014","79","14","6726","6731","10.1021/jo500942a","","","0.71073","MoKα","","0.0689","0.0529","","","0.1495","0.1654","","","","","","1.102","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029657","6.082","0.003","11.612","0.005","12.591","0.005","66.576","0.004","79.752","0.004","88.139","0.004","802.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Liang, Demin; Zou, Yue; Wang, Quanrui; Goeke, Andreas","Sequential Diels-Alder Reaction/Rearrangement Sequence: Synthesis of Functionalized Bicyclo[2.2.1]heptane Derivatives and Revision of Their Relative Configuration.","The Journal of organic chemistry","2014","79","14","6726","6731","10.1021/jo500942a","","","0.71073","MoKα","","0.0586","0.0478","","","0.1386","0.1487","","","","","","1.059","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029658","7.9306","0.0013","15.123","0.002","12.1926","0.0019","90","","105.512","0.002","90","","1409","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[isoquinyl-br]","","","- C19 H12 Br N -","- C19 H12 Br N -","- C76 H48 Br4 N4 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0386","0.0319","","","0.0904","0.0927","","","","","","1.078","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029659","21.461","0.002","7.9205","0.0008","16.9348","0.0016","90","","103.402","0.001","90","","2800.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[salicyl-br]","","","- C18 H12 Br O2 -","- C18 H12 Br O2 -","- C144 H96 Br8 O16 -","8","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0434","0.0354","","","0.1036","0.1062","","","","","","1.062","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029660","12.362","0.003","14.611","0.003","19.273","0.004","90","","90","","90","","3481.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","imine","","","- C41 H31 Cl3 N2 O3 -","- C41 H31 Cl3 N2 O3 -","- C164 H124 Cl12 N8 O12 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0545","0.0401","","","0.084","0.089","","","","","","1.049","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029661","9.3196","0.0008","14.6659","0.0012","15.9831","0.0013","90","","90","","90","","2184.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[anthracene]","","","- C32 H22 O2 -","- C32 H22 O2 -","- C128 H88 O8 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0399","0.0343","","","0.0849","0.0872","","","","","","1.011","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029662","9.841","0.005","10.425","0.005","19.35","0.01","78.097","0.007","89.125","0.007","73.819","0.007","1863.6","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Lu, Xuefeng; Fan, Suhua; Wu, Jinhong; Jia, Xiaowei; Wang, Zhong-Sheng; Zhou, Gang","Controlling the charge transfer in d-a-d chromophores based on pyrazine derivatives.","The Journal of organic chemistry","2014","79","14","6480","6489","10.1021/jo500856k","","","0.71073","MoKα","","0.0879","0.0604","","","0.1717","0.1858","","","","","","1.004","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029663","10.685","0.002","11.672","0.003","15.495","0.003","71.759","0.003","83.525","0.004","79.61","0.004","1802","0.7","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Lu, Xuefeng; Fan, Suhua; Wu, Jinhong; Jia, Xiaowei; Wang, Zhong-Sheng; Zhou, Gang","Controlling the charge transfer in d-a-d chromophores based on pyrazine derivatives.","The Journal of organic chemistry","2014","79","14","6480","6489","10.1021/jo500856k","","","0.71073","MoKα","","0.0875","0.0586","","","0.1794","0.1999","","","","","","1.043","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029664","10.2238","0.0017","16.902","0.003","10.8891","0.0018","90","","94.605","0.003","90","","1875.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis Kumar; Bhattacharyya, Aditya","Syntheses of Imidazo-, Oxa-, and Thiazepine Ring Systems via Ring-Opening of Aziridines/Cu-Catalyzed C-N/C-C Bond Formation.","The Journal of organic chemistry","2014","79","14","6468","6479","10.1021/jo500888j","","","0.71073","MoKα","","0.081","0.0559","","","0.1352","0.2015","","","","","","1.194","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029665","10.604","0.005","10.677","0.005","11.678","0.005","66.35","0.005","80.173","0.005","74.336","0.005","1163.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O2 S -","- C29 H26 N2 O2 S -","- C58 H52 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Sahoo, Ashis Kumar; Bhattacharyya, Aditya","Syntheses of Imidazo-, Oxa-, and Thiazepine Ring Systems via Ring-Opening of Aziridines/Cu-Catalyzed C-N/C-C Bond Formation.","The Journal of organic chemistry","2014","79","14","6468","6479","10.1021/jo500888j","","","0.71069","MoKα","","0.0531","0.0394","","","0.0903","0.0975","","","","","","1.02","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029666","9.5758","0.0006","11.8423","0.0007","13.6132","0.0009","99.878","0.003","91.632","0.003","100.298","0.003","1493.56","0.16","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 N7 Ni -","- C40 H27 N7 Ni -","- C80 H54 N14 Ni2 -","2","1","","Devillers, Charles H.; Hebié, Seydou; Lucas, Dominique; Cattey, Hélène; Clément, Sébastien; Richeter, Sébastien","Aromatic Nucleophilic Substitution (SNAr) of meso-Nitroporphyrin with Azide and Amines as an Alternative Metal Catalyst Free Synthetic Approach To Obtain meso-N-Substituted Porphyrins.","The Journal of organic chemistry","2014","79","14","6424","6434","10.1021/jo5005586","","x-ray","0.71073","MoKα","","0.0459","0.0329","","","0.0765","0.0823","","","","","","1.024","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029667","10.1608","0.0005","13.0894","0.0007","15.4826","0.0008","75.664","0.002","72.801","0.002","86.751","0.002","1905.53","0.17","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H78 N10 Ni2 O2 -","- C101 H78 N10 Ni2 O2 -","- C101 H78 N10 Ni2 O2 -","1","0.5","","Devillers, Charles H.; Hebié, Seydou; Lucas, Dominique; Cattey, Hélène; Clément, Sébastien; Richeter, Sébastien","Aromatic Nucleophilic Substitution (SNAr) of meso-Nitroporphyrin with Azide and Amines as an Alternative Metal Catalyst Free Synthetic Approach To Obtain meso-N-Substituted Porphyrins.","The Journal of organic chemistry","2014","79","14","6424","6434","10.1021/jo5005586","","x-ray","0.71073","MoKα","","0.0454","0.0376","","","0.0976","0.1031","","","","","","1.031","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029668","7.2094","0.0009","16.0529","0.0017","20.751","0.002","72.471","0.003","89.382","0.003","79.536","0.003","2249.5","0.4","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H40 F4 O2 S6 -","- C54 H40 F4 O2 S6 -","- C108 H80 F8 O4 S12 -","2","1","","Ohtake, Toshihiro; Tanaka, Hideki; Matsumoto, Tetsuro; Kimura, Mutsumi; Ohta, Akira","Redox-Driven Molecular Switches Consisting of Bis(benzodithiolyl)bithienyl Scaffold and Mesogenic Moieties: Synthesis and Complexes with Liquid Crystalline Polymer.","The Journal of organic chemistry","2014","79","14","6590","6602","10.1021/jo501072u","","x-ray","0.71073","MoKα","","0.0602","0.0499","","","0.1503","0.1604","","","","","","0.908","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029669","13.782","0.003","19.442","0.004","21.953","0.004","88.24","0.03","76.49","0.03","86.79","0.03","5710","2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H61.26 N0 O6 -","- C67 H61.35 O6 -","- C268 H245.4 O24 -","4","2","","Tominaga, Masahide; Ohara, Kazuaki; Yamaguchi, Kentaro; Azumaya, Isao","Hollow sphere formation from a three-dimensional structure composed of an adamantane-based cage.","The Journal of organic chemistry","2014","79","14","6738","6742","10.1021/jo500989c","","","0.8","Synchrotron","","0.1404","0.0914","","","0.2486","0.2955","","","","","","1.023","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029670","6.801","0.0002","16.1651","0.0005","22.3501","0.0008","90","","90","","90","","2457.14","0.14","123","2","123","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C30 H22 Br2 O4 -","- C30 H22 Br2 O4 -","- C120 H88 Br8 O16 -","4","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0515","0.0389","","","0.0826","0.0867","","","","","","0.996","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029671","11.6253","0.0002","11.6253","0.0002","9.0313","0.0002","90","","90","","120","","1057.03","0.03","123","2","123","2","","","","","","","","3","P 32","P 32","145","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C48 H42 I6 -","3","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0244","0.0238","","","0.0588","0.059","","","","","","1.088","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029672","33.742","0.002","7.9547","0.0003","9.8768","0.0007","90","","97.566","0.002","90","","2627.9","0.3","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0572","0.0382","","","0.0789","0.0842","","","","","","0.937","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029673","17.9928","0.0015","7.7886","0.0007","20.839","0.0019","90","","90","","90","","2920.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","Roy, Rimi; Rakshit, Soumyadipta; Bhowmik, Tanmoy; Khan, Sagar; Ghatak, Avishek; Bhar, Sanjay","Substituted 3-E-Styryl-2H-chromenes and 3-E-Styryl-2H-thiochromenes: Synthesis, Photophysical Studies, Anticancer Activity, and Exploration to Tricyclic Benzopyran Skeleton.","The Journal of organic chemistry","2014","79","14","6603","6614","10.1021/jo5011125","","","0.71073","MoKα","","0.0915","0.0484","","","0.1071","0.1251","","","","","","1.016","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029674","8.8486","0.0002","21.2189","0.0006","19.1113","0.0006","90","","105.009","0.001","90","","3465.88","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 Au N3 O -","- C37 H44 Au N3 O -","- C148 H176 Au4 N12 O4 -","4","1","","Jeong, Yunkyung; Kim, Bom-I; Lee, Jae Kyun; Ryu, Jae-Sang","Direct Synthesis of 4-Fluoroisoxazoles through Gold-Catalyzed Cascade Cyclization-Fluorination of 2-Alkynone O-Methyl Oximes.","The Journal of organic chemistry","2014","79","14","6444","6455","10.1021/jo5008702","","","0.71075","MoKα","","0.0291","0.0201","","","0.046","0.0484","","","","","","1.029","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029675","6.226","0.0003","8.3026","0.0003","28.059","0.0012","90","","90","","90","","1450.43","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.0596","0.0373","","0.0816","0.0738","0.0816","","","","","","0.9506","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029676","10.9504","0.0002","9.5641","0.0002","21.54","0.0004","90","","97.2592","0.0009","90","","2237.82","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O10 -","- C23 H26 N4 O10 -","- C92 H104 N16 O40 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.0742","0.046","","0.1196","0.1067","0.1196","","","","","","0.9585","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029677","12.0338","0.0002","7.972","0.0001","23.2133","0.0004","90","","97.5273","0.001","90","","2207.74","0.06","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br O4 Si -","- C20 H29 Br O4 Si -","- C80 H116 Br4 O16 Si4 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.05","0.0344","","0.087","0.0792","0.087","","","","","","0.9825","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029678","7.4734","0.0012","7.51","0.0012","15.983","0.003","80.701","0.002","89.547","0.002","68.083","0.002","819.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H14 F2 O5 -","- C19 H14 F2 O5 -","- C38 H28 F4 O10 -","2","1","","Belhomme, Marie-Charlotte; Poisson, Thomas; Pannecoucke, Xavier","Copper-Catalyzed Direct C-2 Difluoromethylation of Furans and Benzofurans: Access to C-2 CF2H Derivatives.","The Journal of organic chemistry","2014","79","15","7205","7211","10.1021/jo5010907","","x-ray","0.71073","MoKα","","0.0549","0.0443","","","0.1229","0.1384","","","","","","1.08","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029679","7.3748","0.0008","19.4128","0.0019","13.8717","0.0014","90","","105.111","0.013","90","","1917.3","0.4","294.35","0.1","294.35","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.","The Journal of organic chemistry","2014","79","14","6627","6633","10.1021/jo501125b","","","0.71","MoKα","","0.0683","0.0488","","","0.1217","0.1373","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029680","6.7432","0.0005","7.9837","0.0005","30.723","0.002","90","","90","","90","","1653.99","0.19","294.26","0.1","294.26","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.","The Journal of organic chemistry","2014","79","14","6627","6633","10.1021/jo501125b","","","0.71073","MoKα","","0.1084","0.0631","","","0.131","0.1613","","","","","","1.051","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029682","10.4494","0.0013","6.9551","0.0009","16.365","0.002","90","","98.175","0.004","90","","1177.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O6 -","- C26 H24 N4 O6 -","- C52 H48 N8 O12 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1448","0.0547","","","0.0909","0.1334","","","","","","1.092","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029683","5.9164","0.0009","7.5954","0.0011","20.95","0.003","90","","97.406","0.004","90","","933.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O6 Se -","- C19 H22 O6 Se -","- C38 H44 O12 Se2 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1468","0.0938","","","0.2444","0.2884","","","","","","0.965","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029684","20.83","0.008","5.635","0.002","12.122","0.007","90","","108.75","0.02","90","","1347.3","1.1","123.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miyahara, Yuji; Ito, Yoshio N.","AlCl3-Mediated Aldol Cyclocondensation of 1,6- and 1,7-Diones to Cyclopentene and Cyclohexene Derivatives.","The Journal of organic chemistry","2014","79","15","6801","6807","10.1021/jo5006137","","","0.7107","MoKα","","","0.0353","","","","0.115","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029685","17.112","0.002","9.5392","0.0012","18.084","0.002","90","","108.026","0.001","90","","2807","0.6","296","2","163","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","2","","Miyahara, Yuji; Ito, Yoshio N.","AlCl3-Mediated Aldol Cyclocondensation of 1,6- and 1,7-Diones to Cyclopentene and Cyclohexene Derivatives.","The Journal of organic chemistry","2014","79","15","6801","6807","10.1021/jo5006137","","","0.71073","MoKα","","0.0451","0.0388","","","0.1095","0.1165","","","","","","0.896","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029686","8.958","0.0004","17.1507","0.0009","11.2099","0.0005","90","","107.618","0.001","90","","1641.46","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","AMHX-184","sarpong80","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029687","10.9297","0.0003","7.3691","0.0002","11.4432","0.0004","90","","94.209","0.003","90","","919.17","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","AMHXI-049","sarpong83","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0549","0.041","","","0.0791","0.0848","","","","","","1.034","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029808","7.9422","0.0005","19.0885","0.001","11.2298","0.0005","90","","92.573","0.005","90","","1700.77","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C88 H56 Cl4 N12 -","4","1","","Kumar, Atul; Kumar, Mukesh; Maurya, Shivam; Khanna, Ranjana S.","Regioselective Synthesis of Fused Imidazo[1,2-a]pyrimidines via Intramolecular C-N Bond Formation/6-Endo-Dig Cycloisomerization.","The Journal of organic chemistry","2014","79","15","6905","6912","10.1021/jo5007762","","","0.71073","MoKα","","0.092","0.0538","","","0.1104","0.1296","","","","","","1.033","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029809","14.761","0.003","31.143","0.006","7.2056","0.0014","90","","90","","90","","3312.4","1.1","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C152 H128 N16 O40 -","8","1","","Wan, Jie-Ping; Lin, Yunfang; Huang, Qing; Liu, Yunyun","Diastereoselective Construction of Tetrahydropyridine Fused Bicyclic Structures via Three-Component Domino Reaction.","The Journal of organic chemistry","2014","79","15","7232","7238","10.1021/jo501292q","","","0.71073","MoKα","","0.1149","0.072","","","0.1977","0.249","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029810","6.8792","0.0007","10.2161","0.0011","27.732","0.003","90","","90","","90","","1949","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O2 -","- C24 H23 Br O2 -","- C96 H92 Br4 O8 -","4","1","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.0728","0.0557","","","0.1628","0.181","","","","","","1.19","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029811","10.7032","0.0012","14.9947","0.0017","25.551","0.003","90","","90","","90","","4100.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C192 H160 Br8 N8 O16 -","8","2","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.1277","0.0566","","","0.1075","0.1242","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029812","13.72","0.003","7.2534","0.0018","14.954","0.004","90","","90.634","0.014","90","","1488.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H25 Cl N2 O3 -","- C34 H25 Cl N2 O3 -","- C68 H50 Cl2 N4 O6 -","2","1","","Zhang, Hong-Hao; Wang, Yue-Ming; Xie, Yuan-Wei; Zhu, Zi-Qi; Shi, Feng; Tu, Shu-Jiang","Organocatalytic Chemo-, (E/Z)- and Enantioselective Formal Alkenylation of Indole-Derived Hydroxylactams Using o-Hydroxystyrenes as a Source of Alkenyl Group.","The Journal of organic chemistry","2014","79","15","7141","7151","10.1021/jo501293m","","","0.71073","MoKα","","0.1803","0.0655","","","0.147","0.2103","","","","","","0.939","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029813","6.432","","16.9723","0.0001","17.2995","0.0001","90","","90","","90","","1888.51","0.016","150","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C80 H104 N8 O12 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0246","0.0245","","","0.0642","0.0643","","","","","","1.059","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029814","6.419","0.0001","15.9155","0.0004","19.2921","0.0005","90","","90","","90","","1970.91","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C100 H84 N4 O16 S4 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0488","0.0475","","","0.1458","0.1475","","","","","","1.21","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029815","5.981","0.0012","11.955","0.002","13.864","0.003","111.01","0.03","95.75","0.03","92.04","0.03","918","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 F2 N2 O2 -","- C20 H26 F2 N2 O2 -","- C40 H52 F4 N4 O4 -","2","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","0.7","Synchrotron","","0.0345","0.0338","","","0.0866","0.0871","","","","","","1.039","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029823","6.142","0.004","10.755","0.007","26.16","0.017","90","","90","","90","","1728.1","1.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C84 H92 N12 -","4","1","","Herrera, Antonio; Riaño, Alberto; Moreno, Ramón; Caso, Bárbara; Pardo, Zulay D.; Fernández, Israel; Sáez, Elena; Molero, Dolores; Sánchez-Vázquez, Angel; Martínez-Alvarez, Roberto","One-Pot Synthesis of 1,3,5-Triazine Derivatives via Controlled Cross-Cyclotrimerization of Nitriles: A Mechanism Approach.","The Journal of organic chemistry","2014","79","15","7012","7024","10.1021/jo501144v","","","0.71073","MoKα","","0.1642","0.0812","","","0.1607","0.1886","","","","","","0.91","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029824","7.6193","0.0004","10.9706","0.0007","11.8576","0.0009","90","","90","","90","","991.16","0.11","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Castillo-Contreras, Emmanuel B; Stahl, Alexander M.; Dake, Gregory R.","Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.","The Journal of organic chemistry","2014","79","15","7250","7255","10.1021/jo501376q","","","1.54178","CuKα","","0.0482","0.0463","","","0.1163","0.1191","","","","","","1.074","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029825","7.7657","0.0005","11.9845","0.0008","13.1137","0.0009","90","","94.745","0.003","90","","1216.28","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Castillo-Contreras, Emmanuel B; Stahl, Alexander M.; Dake, Gregory R.","Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.","The Journal of organic chemistry","2014","79","15","7250","7255","10.1021/jo501376q","","","0.71073","MoKα","","0.0465","0.0387","","","0.1025","0.1081","","","","","","1.027","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029826","16.112","0.016","6.706","0.007","18.764","0.019","90","","100.854","0.011","90","","1991","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Mondal, Sayantan; Gold, Brian; Mohamed, Rana K.; Phan, Hoa; Alabugin, Igor V.","Rerouting Radical Cascades: Intercepting the Homoallyl Ring Expansion in Enyne Cyclizations via C-S Scission.","The Journal of organic chemistry","2014","79","16","7491","7501","10.1021/jo5012043","","","0.71073","MoKα","","0.0634","0.0519","","","0.1224","0.1294","","","","","","1.056","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029827","12.6288","0.0006","9.4968","0.0005","13.1535","0.0007","90","","118.149","0.002","90","","1390.96","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 F3 N3 O5 -","- C28 H32 F3 N3 O5 -","- C56 H64 F6 N6 O10 -","2","1","","Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer","N-methylimidazole promotes the reaction of homophthalic anhydride with imines.","The Journal of organic chemistry","2014","79","16","7593","7599","10.1021/jo501316m","","","1.54178","CuKα","","0.0361","0.0343","","","0.0763","0.0773","","","","","","1.005","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029828","10.2269","0.0006","15.884","0.0009","12.1416","0.0007","90","","98.281","0.001","90","","1951.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H19 N O4.5 -","- C24.5 H19 N O4.5 -","- C98 H76 N4 O18 -","4","1","","Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer","N-methylimidazole promotes the reaction of homophthalic anhydride with imines.","The Journal of organic chemistry","2014","79","16","7593","7599","10.1021/jo501316m","","","0.71073","MoKα","","0.104","0.0725","","","0.1644","0.1824","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029829","7.446","0.003","7.6","0.003","29.561","0.011","90","","97.206","0.01","90","","1659.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Gopi, Elumalai; Namboothiri, Irishi N. N.","One-Pot Regioselective Synthesis of meta-Terphenyls via [3 + 3] Annulation of Nitroallylic Acetates with Alkylidenemalononitriles.","The Journal of organic chemistry","2014","79","16","7468","7476","10.1021/jo501193h","","","0.71073","MoKα","","0.0513","0.0403","","","0.0876","0.092","","","","","","0.987","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029831","11.8137","0.0017","7.047","0.001","24.199","0.004","90","","101.033","0.002","90","","1977.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N5 O6 S -","- C18 H21 N5 O6 S -","- C72 H84 N20 O24 S4 -","4","1","","Johnson, Kevin M.; Parsons, Zachary D.; Barnes, Charles L.; Gates, Kent S.","Toward Hypoxia-Selective DNA-Alkylating Agents Built by Grafting Nitrogen Mustards onto the Bioreductively Activated, Hypoxia-Selective DNA-Oxidizing Agent 3-Amino-1,2,4-benzotriazine 1,4-Dioxide (Tirapazamine).","The Journal of organic chemistry","2014","79","16","7520","7531","10.1021/jo501252p","","","0.71073","MoKα","","0.0413","0.0347","","","0.0924","0.0972","","","","","","1.047","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029832","10.7599","0.001","12.9257","0.0012","14.6771","0.0019","101.059","0.009","109.431","0.009","96.31","0.007","1855.7","0.4","180.15","","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 Br I S2 Si2 -","- C35 H38 Br I S2 Si2 -","- C70 H76 Br2 I2 S4 Si4 -","2","1","","Valášek, Michal; Edelmann, Kevin; Gerhard, Lukas; Fuhr, Olaf; Lukas, Maya; Mayor, Marcel","Synthesis of molecular tripods based on a rigid 9,9'-spirobifluorene scaffold.","The Journal of organic chemistry","2014","79","16","7342","7357","10.1021/jo501029t","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0713","0.0734","","","","","","1.049","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029833","17.049","0.002","6.88","0.001","34.497","0.003","90","","93.65","0.05","90","","4038.2","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C5'-C6'[S]epoxide of O2',O3' di-terbutyldimethylsilyl uridine","","- C22 H40 N2 O6 Si2 -","- C22 H40 N2 O6 Si2 -","- C132 H240 N12 O36 Si12 -","6","3","","Fer, Mickaël J; Doan, Pierre; Prangé, Thierry; Calvet-Vitale, Sandrine; Gravier-Pelletier, Christine","A diastereoselective synthesis of 5'-substituted-uridine derivatives.","The Journal of organic chemistry","2014","79","16","7758","7765","10.1021/jo501410m","","","0.964","synchrotron","","0.0946","0.0945","","","0.2385","0.2389","","","","","","2.598","","","","has coordinates,has disorder","204142","2020-10-21","18:00:00",""
"4029834","10.0649","0.0007","17.5489","0.0012","10.2527","0.0007","90","","97.268","0.001","90","","1796.4","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 F3 N2 O S -","- C16 H21 F3 N2 O S -","- C64 H84 F12 N8 O4 S4 -","4","2","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Friedel-Crafts Reactions of N-tert-Butylsulfinyl-3,3,3-trifluoroacetaldimines: General Access to Enantiomerically Pure Indoles Containing a 1-Amino-2,2,2-trifluoroethyl Group.","The Journal of organic chemistry","2014","79","16","7677","7681","10.1021/jo5012009","","","0.71073","MoKα","","0.0451","0.0364","","","0.0885","0.0939","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029835","12.2469","0.0006","9.3854","0.0005","14.4662","0.0007","90","","103.089","0.002","90","","1619.57","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N6 O6 S2 -","- C26 H30 N6 O6.01 S2 -","- C52 H60 N12 O12.02 S4 -","2","1","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0824","0.0761","","","0.2118","0.2232","","","","","","0.885","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029836","11.7533","0.0002","9.4038","0.0002","14.313","0.0003","90","","96.434","0.001","90","","1571.99","0.05","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl F3 N2 O2 S -","- C13 H14 Cl F3 N2 O2 S -","- C52 H56 Cl4 F12 N8 O8 S4 -","4","2","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0381","0.0325","","","0.0673","0.0695","","","","","","1.062","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029837","22.249","0.003","9.242","0.0014","9.1181","0.0012","90","","90","","90","","1874.9","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.0653","0.0471","","","0.0988","0.1078","","","","","","1.031","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029838","9.5546","0.0012","10.2791","0.0013","12.0432","0.0015","98.98","0.002","98.018","0.002","92.406","0.002","1154.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.0904","0.0497","","","0.1187","0.1327","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029839","10.638","0.014","11.784","0.014","13.566","0.015","67.11","0.03","84.68","0.03","63.93","0.03","1401","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C66 H66 N6 -","3","1.5","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.2096","0.062","","","0.0799","0.0935","","","","","","1","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029840","9.0828","0.0013","8.2753","0.0012","28.513","0.004","90","","97.494","0.003","90","","2124.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1024","0.0537","","","0.1343","0.1583","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029841","22.6533","0.0016","22.6533","0.0016","7.243","0.0014","90","","90","","90","","3716.9","0.8","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C152 H104 N40 O16 -","8","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1175","0.0645","","","0.1608","0.1793","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029842","7.943","0.002","10.527","0.003","11.702","0.004","84.179","0.004","86.21","0.004","79.569","0.004","956.2","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1043","0.0522","","","0.117","0.1373","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029843","8.24","0.003","9.613","0.003","22.45","0.007","90","","90","","90","","1778.3","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C80 H76 N4 O16 S4 -","4","1","","Kamimura, Akio; Yamane, Yu; Yo, Ryuichiro; Tanaka, Toshiyuki; Uno, Hidemitsu","Gold(I)-Catalyzed Synthesis of Optically Active 1,4-Oxazepan-7-ones.","The Journal of organic chemistry","2014","79","16","7696","7702","10.1021/jo501254x","","","0.71075","MoKα","","","0.0273","","","","0.0682","","","","","","1.091","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029848","7.7122","0.0004","22.1072","0.0011","11.0668","0.0006","90","","90.56","0.002","90","","1886.75","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 O1.5 Si -","- C6 H17 O1.5 Si -","- C48 H136 O12 Si8 -","8","2","","Patschinski, Pascal; Zhang, Cong; Zipse, Hendrik","The lewis base-catalyzed silylation of alcohols-a mechanistic analysis.","The Journal of organic chemistry","2014","79","17","8348","8357","10.1021/jo5016568","","","0.71073","MoKα","","0.0498","0.0439","","","0.1108","0.1146","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029849","14.8863","0.0002","25.4284","0.0004","6.6202","0.0001","90","","90","","90","","2505.98","0.06","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H44 O3 Si -","- C24 H44 O3 Si -","- C96 H176 O12 Si4 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","0.71073","MoKα","","0.048","0.0444","","","0.1221","0.1261","","","","","","1.066","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029850","10.1431","0.001","10.1431","0.001","17.8259","0.0019","90","","90","","120","","1588.3","0.3","173","1","173","1","","","","","","","","3","P 32","P 32","145","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C75 H96 O12 -","3","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0738","0.0779","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029851","15.457","0.003","9.311","0.002","15.892","0.003","90","","110.108","0.013","90","","2147.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","1.54176","CuKα","","0.0954","0.0756","","","0.1855","0.2075","","","","","","1.004","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029852","13.6957","0.0017","7.3312","0.0009","16.043","0.002","90","","94.634","0.002","90","","1605.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N6 O4 -","- C18 H14 N6 O4 -","- C72 H56 N24 O16 -","4","1","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","0.71073","MoKα","","0.0858","0.0494","","","0.116","0.1335","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029853","12.395","0.0005","12.8325","0.0005","7.9578","0.0003","90","","101.99","0.004","90","","1238.14","0.09","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Compound 16","","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","0.5","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","1.54178","CuKα","","0.0492","0.0416","","","0.1006","0.1033","","","","","","1.041","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029854","8.9582","0.0004","9.2839","0.0003","14.5505","0.0006","90","","92.973","0.003","90","","1208.49","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 7","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","1.54178","CuKα","","0.0399","0.0353","","","0.0923","0.096","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029855","10.052","0.004","14.694","0.006","12.103","0.005","90","","95.947","0.006","90","","1778","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Wang, Xianbo; Yu, Xingxin","Silver(I) and copper(i) cocatalyzed tandem reaction of 2-alkynylbenzaldoximes with aldehydes or alcohols: approach to 4-carboxylated isoquinolines.","The Journal of organic chemistry","2014","79","17","7854","7860","10.1021/jo500864b","","","0.71073","MoKα","","0.0985","0.0611","","","0.1495","0.1725","","","","","","0.923","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029856","42.4851","0.0007","7.7388","0.0001","14.2913","0.0002","90","","103.844","0.002","90","","4562.25","0.12","290","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C208 H216 N24 O24 -","8","2","","Peng, Jixing; Gao, Huquan; Li, Jing; Ai, Jing; Geng, Meiyu; Zhang, Guojian; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Prenylated Indole Diketopiperazines from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2014","79","17","7895","7904","10.1021/jo5010179","","","1.54184","CuKα","","0.0399","0.0361","","","0.0918","0.0957","","","","","","1.025","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029857","28.51","0.06","12.34","0.02","17.98","0.04","90","","121.13","0.02","90","","5415","19","270","2","270","2","","","","","","","","3","C 1 c 1","C -2yc","9","C16MolGyro","","","- C54 H100 Si2 -","- C54 H100 Si2 -","- C216 H400 Si8 -","4","1","","Setaka, Wataru; Inoue, Kazuyuki; Higa, Sayaka; Yoshigai, Seiki; Kono, Hirohiko; Yamaguchi, Kentaro","Synthesis of Crystalline Molecular Gyrotops and Phenylene Rotation inside the Cage.","The Journal of organic chemistry","2014","79","17","8288","8295","10.1021/jo501539h","","","0.71073","MoKα","","0.3938","0.1216","","","0.3025","0.4879","","","","","","0.928","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029858","11.8372","0.0005","8.0993","0.0004","33.8951","0.0015","90","","92.243","0.001","90","","3247.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N S -","- C23 H15 N S -","- C184 H120 N8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0531","0.0435","","","0.1068","0.1141","","","","","","1.037","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029859","13.7704","0.0007","12.1242","0.0006","23.1112","0.0012","90","","104.926","0.001","90","","3728.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H22 B F15 N S -","- C44 H22 B F15 N S -","- C176 H88 B4 F60 N4 S4 -","4","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0567","0.0443","","","0.1039","0.1111","","","","","","1.023","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029860","10.024","0.002","11.023","0.003","17.842","0.004","90.44","0.005","106.169","0.004","106.009","0.005","1812.4","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","C42 H17 B F15 N O S, 0.5(C Cl2)","","- C42.5 H17 B Cl F15 N O S -","- C42.5 H17 B Cl F15 N O S -","- C85 H34 B2 Cl2 F30 N2 O2 S2 -","2","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0523","0.0423","","","0.108","0.1148","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029861","16.8297","0.0008","15.8736","0.0008","15.8336","0.0008","90","","116.245","0.001","90","","3793.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl N O S -","- C23 H17 Cl N O S -","- C184 H136 Cl8 N8 O8 S8 -","8","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0464","0.041","","","0.1055","0.1098","","","","","","1.022","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029862","12.2538","0.0005","8.5039","0.0003","32.5823","0.0014","90","","93.139","0.001","90","","3390.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C184 H120 N8 O8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0575","0.0486","","","0.1197","0.1257","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029863","22.3346","0.0009","19.506","0.0007","15.8717","0.0006","90","","98.327","0.001","90","","6841.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H15 B F15 N O S -","- C41 H15 B F15 N O S -","- C328 H120 B8 F120 N8 O8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0833","0.0531","","","0.1183","0.1359","","","","","","0.994","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029864","9.5219","0.0005","9.7304","0.0008","11.5747","0.0009","105.945","0.007","109.988","0.006","99.912","0.006","926.09","0.14","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Mai, Wen-Peng; Sun, Gang-Chun; Wang, Ji-Tao; Song, Ge; Mao, Pu; Yang, Liang-Ru; Yuan, Jin-Wei; Xiao, Yong-Mei; Qu, Ling-Bo","Silver-Catalyzed Radical Tandem Cyclization: An Approach to Direct Synthesis of 3-Acyl-4-arylquinolin-2(1H)-ones.","The Journal of organic chemistry","2014","79","17","8094","8102","10.1021/jo501301t","","","1.5418","CuKα","","0.0463","0.0385","","","0.1066","0.1142","","","","","","1.052","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029865","10.3678","0.0004","9.9254","0.0003","18.351","0.0006","90","","104.086","0.004","90","","1831.62","0.11","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br N O2 -","- C23 H16 Br N O2 -","- C92 H64 Br4 N4 O8 -","4","1","","Mai, Wen-Peng; Sun, Gang-Chun; Wang, Ji-Tao; Song, Ge; Mao, Pu; Yang, Liang-Ru; Yuan, Jin-Wei; Xiao, Yong-Mei; Qu, Ling-Bo","Silver-Catalyzed Radical Tandem Cyclization: An Approach to Direct Synthesis of 3-Acyl-4-arylquinolin-2(1H)-ones.","The Journal of organic chemistry","2014","79","17","8094","8102","10.1021/jo501301t","","","1.5418","CuKα","","0.0447","0.0362","","","0.0872","0.0938","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029866","8.5954","0.0006","21.9171","0.0016","10.9128","0.0008","90","","105.471","0.002","90","","1981.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C96 H80 Br4 N4 O12 -","4","1","","Jiang, Liqin; Xu, Renqi; Kang, Zhenghui; Feng, Yixiao; Sun, Fengxia; Hu, Wenhao","Rh(II)/Brønsted Acid Cocatalyzed Intramolecular Trapping of Ammonium Ylides with Enones: Diastereoselective Synthesis of 2,2,3-Trisubstituted Indolines.","The Journal of organic chemistry","2014","79","17","8440","8446","10.1021/jo501282h","","","0.71073","MoKα","","0.0418","0.0314","","","0.0724","0.0774","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029867","13.849","0.002","11.2933","0.0015","14.1543","0.0018","90","","100.572","0.015","90","","2176.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Br N2 O3 -","- C24 H21 Br N2 O3 -","- C96 H84 Br4 N8 O12 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","","0.71073","MoKα","","0.2027","0.0747","","","0.1354","0.1978","","","","","","0.963","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029868","13.1439","0.0012","9.9913","0.0005","14.1098","0.0009","90","","91.472","0.007","90","","1852.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","","0.71073","MoKα","","0.1046","0.0621","","","0.1463","0.1758","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029869","10.1675","0.0003","12.4426","0.0003","12.6642","0.0003","90","","100.875","0.002","90","","1573.38","0.07","105","0.1","105","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl F N2 O -","- C19 H10 Cl F N2 O -","- C76 H40 Cl4 F4 N8 O4 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","x-ray","0.71073","MoKα","","0.045","0.039","","","0.09","0.0954","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029870","10.5931","0.0005","12.4309","0.0006","10.6076","0.0005","90","","105.109","0.002","90","","1348.54","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Cao, Ming-Ming; Zhang, Yu; Li, Xiao-Hui; Peng, Zong-Gen; Jiang, Jian-Dong; Gu, Yu-Cheng; Di, Ying-Tong; Li, Xiao-Nian; Chen, Duo-Zhi; Xia, Cheng-Feng; He, Hong-Ping; Li, Shun-Lin; Hao, Xiao-Jiang","Cyclohexane-Fused Octahydroquinolizine Alkaloids from Myrioneuron faberi with Activity against Hepatitis C Virus.","The Journal of organic chemistry","2014","79","17","7945","7950","10.1021/jo501076x","","","1.54178","CuKα","","0.0579","0.0568","","","0.1525","0.1535","","","","","","1.091","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029871","8.6049","0.0016","9.2797","0.0017","11.975","0.002","86.715","0.003","76.606","0.002","87.794","0.003","928.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C40 H72 N4 O4 -","2","1","","Cao, Ming-Ming; Zhang, Yu; Li, Xiao-Hui; Peng, Zong-Gen; Jiang, Jian-Dong; Gu, Yu-Cheng; Di, Ying-Tong; Li, Xiao-Nian; Chen, Duo-Zhi; Xia, Cheng-Feng; He, Hong-Ping; Li, Shun-Lin; Hao, Xiao-Jiang","Cyclohexane-Fused Octahydroquinolizine Alkaloids from Myrioneuron faberi with Activity against Hepatitis C Virus.","The Journal of organic chemistry","2014","79","17","7945","7950","10.1021/jo501076x","","","0.71073","MoKα","","0.0637","0.0476","","","0.122","0.1338","","","","","","1.071","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029872","8.5758","0.0008","24.74","0.002","16.4424","0.0016","90","","90.94","0.001","90","","3488","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Si2 -","- C16 H24 Si2 -","- C128 H192 Si16 -","8","2","","Kinoshita, Hidenori; Hirai, Nobuyoshi; Miura, Katsukiyo","Diisobutylaluminum Hydride Promoted Cyclization of o-(Trimethylsilylethynyl)styrenes to Indenes.","The Journal of organic chemistry","2014","79","17","8171","8181","10.1021/jo501383v","","","0.71073","MoKα","","0.0692","0.0572","","","0.1536","0.1634","","","","","","0.924","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029873","10.3693","0.0011","10.5849","0.0012","13.5584","0.0015","87.922","0.002","89.05","0.002","62.078","0.001","1314","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O5 -","- C29 H22 N2 O5 -","- C58 H44 N4 O10 -","2","1","","Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing","Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions.","The Journal of organic chemistry","2014","79","17","7935","7944","10.1021/jo501049m","","","0.71073","MoKα","","0.3902","0.1194","","","0.1797","0.225","","","","","","1.025","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029874","10.2812","0.0009","10.2989","0.0008","13.2551","0.0011","89.772","0.002","87.99","0.002","62.141","0.001","1239.96","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C60 H48 N4 O10 -","2","1","","Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing","Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions.","The Journal of organic chemistry","2014","79","17","7935","7944","10.1021/jo501049m","","","0.71073","MoKα","","0.1698","0.0737","","","0.1672","0.2352","","","","","","1.042","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029875","12.819","0.0006","10.5217","0.0005","18.1283","0.0008","90","","106.949","0.0012","90","","2338.9","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cl N2 O2 -","- C27 H25 Cl N2 O2 -","- C108 H100 Cl4 N8 O8 -","4","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0872","0.0641","","","0.1554","0.1698","","","","","","1.059","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029876","25.069","0.003","10.0489","0.0012","20.245","0.002","90","","110.317","0.002","90","","4782.7","0.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cl N2 O2 -","- C27 H25 Cl N2 O2 -","- C216 H200 Cl8 N16 O16 -","8","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0775","0.0571","","","0.1328","0.1426","","","","","","1.138","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029877","10.7819","0.0015","11.2776","0.0018","12.123","0.003","114.81","0.004","97.625","0.004","108.463","0.003","1207.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F3 N2 O2 -","- C28 H25 F3 N2 O2 -","- C56 H50 F6 N4 O4 -","2","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0609","0.0428","","","0.096","0.1085","","","","","","1.05","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029878","8.784","0.003","16.217","0.005","14.313","0.004","90","","123.483","0.014","90","","1700.5","1","293","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 O4 S -","- C18 H12 Cl N3 O4 S -","- C72 H48 Cl4 N12 O16 S4 -","4","1","","Yang, Bingchuan; Tan, Xiaochen; Guo, Ruiying; Chen, Shunwei; Zhang, Zeyuan; Chu, Xianglong; Xie, Caixia; Zhang, Dongju; Ma, Chen","Transition Metal-Free One-Pot Synthesis of Fused 1,4-Thiazepin-5(4H)-ones and Theoretical Study of the S-N Type Smiles Rearrangement Process.","The Journal of organic chemistry","2014","79","17","8040","8048","10.1021/jo5011729","","","0.71","MoKα","","0.0779","0.0467","","","0.1352","0.1765","","","","","","1.111","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029879","10.1979","0.0003","15.8821","0.0004","21.6227","0.0008","90","","90","","90","","3502.1","0.19","291","2","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Li, Pengfei; Cheng, Guolin; Zhang, Hong; Xu, Xianxiang; Gao, Jingyuan; Cui, Xiuling","Copper-Catalyzed One-Pot Synthesis of Unsymmetrical Arylurea Derivatives via Tandem Reaction of Diaryliodonium Salts with N-Arylcyanamide.","The Journal of organic chemistry","2014","79","17","8156","8162","10.1021/jo501334u","","","1.54184","CuKα","","0.0626","0.045","","","0.1145","0.1256","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029880","29.4","0.0016","5.6484","0.0003","23.9962","0.0015","90","","97.043","0.002","90","","3954.8","0.4","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 B N O -","- C27 H22 B N O -","- C216 H176 B8 N8 O8 -","8","1","","Molander, Gary A.; Wisniewski, Steven R.","Accessing 2,1-Borazaronaphthols: Self-Arylation of 1-Alkyl-2-aryl-3-bromo-2,1-borazaronaphthalenes.","The Journal of organic chemistry","2014","79","17","8339","8347","10.1021/jo501638q","","","0.71073","MoKα","","0.0426","0.036","","","0.0925","0.0981","","","","","","1.04","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029881","9.7741","0.0003","21.4114","0.0006","16.2306","0.0004","90","","107.616","0.001","90","","3237.41","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 B2 N2 O -","- C42 H34 B2 N2 O -","- C168 H136 B8 N8 O4 -","4","1","","Molander, Gary A.; Wisniewski, Steven R.","Accessing 2,1-Borazaronaphthols: Self-Arylation of 1-Alkyl-2-aryl-3-bromo-2,1-borazaronaphthalenes.","The Journal of organic chemistry","2014","79","17","8339","8347","10.1021/jo501638q","","","0.71073","MoKα","","0.0548","0.0414","","","0.1007","0.109","","","","","","1.018","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029882","12.372","0.003","5.7322","0.0013","14.47","0.004","90","","90","","90","","1026.2","0.4","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H13 F3 -","- C12 H13 F3 -","- C48 H52 F12 -","4","1","","Durie, Alastair J.; Fujiwara, Tomoya; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Stepwise Preparation of All-cis 1,3,4-Trifluoro-2-phenylcyclohexane, Avoiding a Phenonium Intermediate.","The Journal of organic chemistry","2014","79","17","8228","8233","10.1021/jo501432x","","","0.71075","MoKα","","","0.0394","","","","0.0874","","","","","","1.067","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029883","4.8383","0.0008","16.347","0.003","23.195","0.004","90","","90","","90","","1834.5","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Br O -","- C10 H9 Br O -","- C80 H72 Br8 O8 -","8","2","","Tada, Atsuo; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi","Palladium/ClickFerrophos-Catalyzed Asymmetric Domino Allylstannylation-Heck Reaction of o-Formylaryl Triflate.","The Journal of organic chemistry","2014","79","17","7905","7909","10.1021/jo5010247","","","0.71075","MoKα","","0.0803","0.0495","","","0.1059","0.1226","","","","","","0.919","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029884","12.594","0.003","15.145","0.002","19.256","0.005","78.32","0.03","76.694","0.019","73.73","0.03","3393.5","1.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 N3 O9 -","- C33 H42 N3 O9 -","- C132 H168 N12 O36 -","4","2","","Valera, Silvia; Taylor, James E.; Daniels, David S. B.; Dawson, Daniel M.; Athukorala Arachchige, Kasun S.; Ashbrook, Sharon E.; Slawin, Alexandra M. Z.; Bode, Bela E.","A modular approach for the synthesis of nanometer-sized polynitroxide multi-spin systems.","The Journal of organic chemistry","2014","79","17","8313","8323","10.1021/jo5015678","","","0.71075","MoKα","","","0.1029","","","","0.3423","","","","","","1.016","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029885","18.337","0.01","5.919","0.003","22.367","0.011","90","","106.085","0.015","90","","2333","2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C96 H120 N8 O24 -","4","1","","Valera, Silvia; Taylor, James E.; Daniels, David S. B.; Dawson, Daniel M.; Athukorala Arachchige, Kasun S.; Ashbrook, Sharon E.; Slawin, Alexandra M. Z.; Bode, Bela E.","A modular approach for the synthesis of nanometer-sized polynitroxide multi-spin systems.","The Journal of organic chemistry","2014","79","17","8313","8323","10.1021/jo5015678","","","1.54187","CuKα","","","0.1094","","","","0.3611","","","","","","1.368","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029886","9.8295","0.0004","18.695","0.0006","11.8467","0.0006","90","","102.151","0.004","90","","2128.21","0.16","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,6,6,10,10,14,14‒Octabromotetraspiro[2.1.25.1.29.1.213.13]hexadecane","","- C16 H16 Br8 -","- C16 H16 Br8 -","- C64 H64 Br32 -","4","1","","Averina, Elena B.; Sedenkova, Kseniya N.; Bakhtin, Stanislav G.; Grishin, Yuri K.; Kutateladze, Andrei G.; Roznyatovsky, Vitaly A.; Rybakov, Victor B.; Butov, Gennady M.; Kuznetsova, Tamara S.; Zefirov, Nikolay S.","symm-Tetramethylenecyclooctane: En Route to Polyspirocycles.","The Journal of organic chemistry","2014","79","17","8163","8170","10.1021/jo501380y","","","0.71073","MoKα","","0.1341","0.0465","","","0.0387","0.0525","","","","","","0.577","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029887","7.8402","0.0003","15.7396","0.0007","12.4837","0.0004","90","","103.122","0.003","90","","1500.28","0.1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,2"",2""-Tetrachloro-1'-methyldispiro[cyclopropane-1,3'- bicyclo[3.3.1]nonane-7',1""-cyclopropane]","","- C14 H18 Cl4 -","- C14 H18 Cl4 -","- C56 H72 Cl16 -","4","1","","Averina, Elena B.; Sedenkova, Kseniya N.; Bakhtin, Stanislav G.; Grishin, Yuri K.; Kutateladze, Andrei G.; Roznyatovsky, Vitaly A.; Rybakov, Victor B.; Butov, Gennady M.; Kuznetsova, Tamara S.; Zefirov, Nikolay S.","symm-Tetramethylenecyclooctane: En Route to Polyspirocycles.","The Journal of organic chemistry","2014","79","17","8163","8170","10.1021/jo501380y","","","1.54186","CuKα","","0.0545","0.0443","","","0.0988","0.1032","","","","","","0.919","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029888","14.0105","0.0008","14.0105","0.0008","33.006","0.002","90","","90","","90","","6478.9","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","3a","","","- C34 H30 Br N3 Ni O3 -","- C34 H30 Br N3 Ni O3 -","- C272 H240 Br8 N24 Ni8 O24 -","8","1","","Chen, Hui; Wang, Jiang; Zhou, Shengbin; Liu, Hong","Asymmetric Synthesis of Chiral Heterocyclic Amino Acids via the Alkylation of the Ni(II) Complex of Glycine and Alkyl Halides.","The Journal of organic chemistry","2014","79","17","7872","7879","10.1021/jo501571j","","","0.71073","MoKα","","0.0838","0.0477","","","0.0987","0.1095","","","","","","0.925","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029889","6.1759","0.0011","11.8443","0.001","15.9609","0.0016","85.25","0.008","86.847","0.011","88.964","0.01","1161.6","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Br N O S -","- C11 H10 Br N O S -","- C44 H40 Br4 N4 O4 S4 -","4","2","","Chen, Xiao-Lan; Li, Xu; Qu, Ling-Bo; Tang, Yu-Chun; Mai, Wen-Peng; Wei, Dong-Hui; Bi, Wen-Zhu; Duan, Li-Kun; Sun, Kai; Chen, Jian-Yu; Ke, Dian-Dian; Zhao, Yu-Fen","Peroxides as ""Switches"" of Dialkyl H-Phosphonate: Two Mild and Metal-Free Methods for Preparation of 2-Acylbenzothiazoles and Dialkyl Benzothiazol-2-ylphosphonates.","The Journal of organic chemistry","2014","79","17","8407","8416","10.1021/jo501791n","","","1.54184","CuKα","","0.057","0.0455","","","0.1181","0.1297","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029890","8.3733","0.0017","10.464","0.002","10.507","0.002","109.43","0.03","91.99","0.03","102.81","0.03","840.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 N O P S -","- C19 H14 N O P S -","- C38 H28 N2 O2 P2 S2 -","2","1","","Chen, Xiao-Lan; Li, Xu; Qu, Ling-Bo; Tang, Yu-Chun; Mai, Wen-Peng; Wei, Dong-Hui; Bi, Wen-Zhu; Duan, Li-Kun; Sun, Kai; Chen, Jian-Yu; Ke, Dian-Dian; Zhao, Yu-Fen","Peroxides as ""Switches"" of Dialkyl H-Phosphonate: Two Mild and Metal-Free Methods for Preparation of 2-Acylbenzothiazoles and Dialkyl Benzothiazol-2-ylphosphonates.","The Journal of organic chemistry","2014","79","17","8407","8416","10.1021/jo501791n","","","0.71073","MoKα","","0.1029","0.0715","","","0.1286","0.1439","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029891","9.5648","0.0019","16.747","0.003","19.911","0.004","90","","90","","90","","3189.4","1.1","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O6 Si -","- C36 H36 O6 Si -","- C144 H144 O24 Si4 -","4","1","","Tan, Yun Xuan; Santhanakrishnan, Sridhar; Yang, Hai Yan; Chai, Christina L. L.; Tam, Eric Kwok Wai","Synthesis of Neplanocin A and Its 3'-Epimer via an Intramolecular Baylis-Hillman Reaction.","The Journal of organic chemistry","2014","79","17","8059","8066","10.1021/jo501248e","","","0.71073","MoKα","","0.1056","0.0968","","","0.2477","0.2606","","","","","","1.131","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029892","7.2551","0.0016","9.233","0.002","21.918","0.005","90","","90","","90","","1468.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(phenanthren-9-yl)cyclohexanone","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.0399","0.0322","","","0.0765","0.0809","","","","","","1.057","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029893","12.539","0.004","7.252","0.002","14.199","0.005","90","","110.964","0.005","90","","1205.7","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)cyclohexanone","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.1345","0.0995","","","0.3157","0.3365","","","","","","1.076","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029894","7.1924","0.0011","8.3504","0.0013","11.6752","0.0018","71.605","0.005","77.199","0.005","82.165","0.006","647.17","0.17","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(1,2-dihydroacenaphthylen-5-yl)cyclohexanone","","- C18 H18 O -","- C18 H18 O -","- C36 H36 O2 -","2","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.1137","0.0923","","","0.2389","0.251","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029895","19.2843","0.0009","19.2843","0.0009","7.3129","0.0002","90","","90","","90","","2719.55","0.19","293","2","293","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C17 H13 Cl O -","- C17 H13 Cl O -","- C136 H104 Cl8 O8 -","8","","","Liu, Qiang; Meng, Jiang; Liu, Yang; Yang, Chao; Xia, Wujiong","Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins.","The Journal of organic chemistry","2014","79","17","8143","8155","10.1021/jo5013465","","","1.5418","CuKα","","0.0446","0.0397","","","0.1024","0.1063","","","","","","1.049","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029896","6.4492","0.0005","7.6732","0.0007","15.1467","0.0011","101.507","0.007","94.517","0.006","90.802","0.007","731.86","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl2 N6 O2 -","- C13 H8 Cl2 N6 O2 -","- C26 H16 Cl4 N12 O4 -","2","1","","Sadhu, Pradeep; Alla, Santhosh Kumar; Punniyamurthy, Tharmalingam","Room-Temperature Cu(II)-Catalyzed Chemo- and Regioselective Ortho-Nitration of Arenes via C-H Functionalization.","The Journal of organic chemistry","2014","79","18","8541","8549","10.1021/jo501617g","","","0.71073","MoKα","","0.0784","0.045","","","0.0604","0.0722","","","","","","1.228","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029897","6.6745","0.0005","9.0337","0.0005","9.4283","0.0006","90","","90","","90","","568.48","0.06","150","1","150","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C4 N6 -","- C4 N6 -","- C16 N24 -","4","","","Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S.","Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors.","The Journal of organic chemistry","2014","79","17","8189","8201","10.1021/jo5014004","","","0.71073","MoKα","","0.0378","0.0326","","","0.0801","0.0828","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029898","9.1187","0.0003","5.06264","0.00019","6.6952","0.0003","90","","91.508","0.003","90","","308.97","0.02","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrazine-3,6dicarboxamide","","","- C4 H4 N6 O2 -","- C4 H4 N6 O2 -","- C8 H8 N12 O4 -","2","0.5","","Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S.","Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors.","The Journal of organic chemistry","2014","79","17","8189","8201","10.1021/jo5014004","powder diffraction","","0.69998","","","","","","","","","","0.048","2.223","","","","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029899","5.31813","0.00016","12.3831","0.0004","12.7743","0.0004","108.423","0.003","94.901","0.002","95.386","0.002","788.69","0.05","293","","170","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(Pentafluorosulfanyl)but-2-enedioic acid","","- C4 H3 F5 O4 S -","- C4 H3 F5 O4 S -","- C16 H12 F20 O16 S4 -","4","2","","Vida, Norbert; Pastýříková, Tereza; Klepetářová, Blanka; Beier, Petr","Synthesis of Aliphatic Sulfur Pentafluorides by Oxidation of SF5-Containing Anisole, Phenols, and Anilines.","The Journal of organic chemistry","2014","79","18","8906","8911","10.1021/jo501562z","","x-ray","1.5418","CuKα","","0.0457","0.0448","","0.0538","0.0535","0.0535","","","","","","1.0993","","","","has coordinates,has disorder","134301","2020-10-21","18:00:00",""
"4029900","9.731","0.003","9.869","0.002","12.3","0.002","71.031","0.002","73.507","0.002","78.962","0.003","1064.7","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 N2 O7 -","- C48 H56 N2 O7 -","- C48 H56 N2 O7 -","1","0.5","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.1035","0.0943","","","0.1947","0.1997","","","","","","1.239","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029901","12.479","0.001","13.945","0.001","14.645","0.001","90","","113.72","0.001","90","","2333.2","0.3","295","1","295","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 O4.5 -","- C50 H64 O4.5 -","- C100 H128 O9 -","2","0.5","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.0973","0.0775","","","0.1954","0.2089","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029902","9.9505","0.0006","15.3979","0.0009","15.463","0.009","82.51","0.001","75.843","0.001","77.234","0.001","2233.1","1.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C48.5 H60 O7 -","- C48.5 H60 O7 -","- C97 H120 O14 -","2","1","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.1021","0.0968","","","0.2431","0.2472","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029903","9.6551","0.0006","18.218","0.001","12.0682","0.0006","90","","105.377","0.003","90","","2046.8","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42.5 H43 Cl N2 O4 S2 -","- C42.5 H43 Cl N2 O4 S2 -","- C85 H86 Cl2 N4 O8 S4 -","2","1","","Chen, Chun-Chih; Gopula, Balraj; Syu, Jin-Fong; Pan, Jhih-Han; Kuo, Ting-Shen; Wu, Ping-Yu; Henschke, Julian P.; Wu, Hsyueh-Liang","Enantioselective and rapid rh-catalyzed arylation of N-tosyl- and N-nosylaldimines in methanol.","The Journal of organic chemistry","2014","79","17","8077","8085","10.1021/jo5012653","","","0.71073","MoKα","","0.1719","0.0919","","","0.2472","0.3111","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029904","7.8655","0.0003","17.0671","0.0004","17.918","0.0006","90","","90","","90","","2405.34","0.13","143.2","0.5","143.2","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Lian, Xiangjin; Guo, Songsong; Wang, Gang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of Spiro[isoxazolin-3,3'-oxindoles] via the Catalytic 1,3-Dipolar Cycloaddition Reaction of Nitrile Oxides.","The Journal of organic chemistry","2014","79","16","7703","7710","10.1021/jo5012625","","","0.7107","MoKα","","0.0544","0.0411","","","0.0735","0.0797","","","","","","0.99","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029905","10.7167","0.0007","11.36","0.0007","11.7847","0.0008","92.87","0.005","116.657","0.007","94.955","0.006","1271.03","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O4 -","- C29 H18 N4 O4 -","- C58 H36 N8 O8 -","2","1","","Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun","Chemoselective Synthesis of Polycyclic Spiroindolines and Polysubstituted Pyrroles via the Domino Reaction of 2-Isocyanoethylindoles.","The Journal of organic chemistry","2014","79","18","8577","8583","10.1021/jo501143m","","","0.71073","MoKα","","0.1278","0.0828","","","0.2248","0.2654","","","","","","1.028","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029906","9.3617","0.0005","10.2507","0.0006","15.3883","0.0008","93.759","0.005","95.647","0.005","102.436","0.005","1429.35","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","2","","Mahendar, Lodi; Gopi Krishna Reddy, Alavala; Krishna, Jonnada; Satyanarayana, Gedu","[Cu]-Catalyzed Domino Sonogashira Coupling Followed by Intramolecular 5-exo-dig Cyclization: Synthesis of 1,3-Dihydro-2-benzofurans.","The Journal of organic chemistry","2014","79","18","8566","8576","10.1021/jo501137q","","","1.54184","CuKα","","0.0523","0.0412","","","0.1072","0.116","","","","","","1.041","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029907","14.686","0.003","14.693","0.003","19.515","0.005","80.48","0.015","78.54","0.014","61.55","0.012","3616.4","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H61 N5 O -","- C90 H60.99 N5 O0.99 -","- C180 H121.98 N10 O1.98 -","2","1","","Li, Yanbang; Gan, Liangbing","Selective Addition of Secondary Amines to C60: Formation of Penta- and Hexaamino[60]fullerenes.","The Journal of organic chemistry","2014","79","18","8912","8916","10.1021/jo5015867","","","0.71073","MoKα","","0.1627","0.1172","","","0.2798","0.3003","","","","","","1.415","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029908","14.0793","0.0008","14.234","0.0009","16.9088","0.001","67.063","0.006","88.451","0.005","61.28","0.006","2682.4","0.4","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H41 N5 O S4 -","- C82 H40 N5 O S4 -","- C164 H80 N10 O2 S8 -","2","1","","Li, Yanbang; Gan, Liangbing","Selective Addition of Secondary Amines to C60: Formation of Penta- and Hexaamino[60]fullerenes.","The Journal of organic chemistry","2014","79","18","8912","8916","10.1021/jo5015867","","","0.7107","MoKα","","0.1234","0.0712","","","0.1543","0.1914","","","","","","1.029","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029909","10.5531","0.0005","12.5597","0.0005","12.6208","0.0011","96.964","0.005","103.03","0.006","90.128","0.004","1616.96","0.18","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 S -","- C22 H18 S -","- C88 H72 S4 -","4","2","","Hossain, Mohammad Lokman; Ye, Fei; Liu, Zhenxing; Xia, Ying; Shi, Yi; Zhou, Lei; Zhang, Yan; Wang, Jianbo","Synthesis of Phenanthrenes through Copper-Catalyzed Cross-Coupling of N-Tosylhydrazones with Terminal Alkynes.","The Journal of organic chemistry","2014","79","18","8689","8699","10.1021/jo501489c","","","0.7107","MoKα","","0.0638","0.044","","","0.1042","0.1167","","","","","","1.017","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029910","12.4927","0.0004","6.17535","0.00017","16.8213","0.0005","90","","104.242","0.003","90","","1257.82","0.07","99.97","0.13","99.97","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","2","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0446","0.0401","","","0.1005","0.1042","","","","","","0.832","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029911","6.9853","0.0005","7.1516","0.0005","12.7164","0.0007","79.339","0.005","80.647","0.005","88.762","0.005","615.97","0.07","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0408","0.038","","","0.1056","0.1088","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029912","7.0387","0.0005","8.9608","0.0008","9.3606","0.0009","111.215","0.009","102.239","0.008","107.014","0.007","491.7","0.1","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0342","0.0331","","","0.084","0.0849","","","","","","1.001","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029913","12.2312","0.0003","10.0207","0.0003","10.3349","0.0002","90","","91.72","0.002","90","","1266.13","0.05","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0362","0.0324","","","0.0812","0.0836","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029914","18.9743","0.0011","5.115","0.0003","10.7934","0.0006","90","","99.83","0.006","90","","1032.16","0.1","99.95","0.13","99.95","0.13","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0464","0.0458","","","0.1199","0.1207","","","","","","1.002","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029915","7.73155","0.00006","24.5151","0.0002","13.61877","0.0001","90","","91.9617","0.0007","90","","2579.79","0.03","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","2","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0357","0.0335","","","0.0812","0.083","","","","","","1.003","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029916","10.4727","0.0006","9.8328","0.0006","11.28","0.001","90","","109.31","0.008","90","","1096.22","0.14","99.98","0.14","99.98","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0368","0.0325","","","0.086","0.0895","","","","","","1.003","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029917","13.2824","0.0003","9.79556","0.00019","9.33453","0.00016","90","","94.5724","0.0016","90","","1210.64","0.04","99.96","0.17","99.96","0.17","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0418","0.0317","","","0.0758","0.0793","","","","","","1.002","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029918","15.7368","0.0009","16.751","0.001","21.3729","0.0014","96.646","0.003","100.085","0.003","111.312","0.002","5067.9","0.5","100","1","100","1","","","","","","","","5","P -1","-P 1","2","Pt-5,15-(3,5-dibutoxycarbonylphenyl)-syn-dibenzoporphyrin","","","- C60 H56 N4 O8 Pt -","- C60 H56 N4 O8 Pt -","- C240 H224 N16 O32 Pt4 -","4","2","","Esipova, Tatiana V.; Vinogradov, Sergei A.","Synthesis of Phosphorescent Asymmetrically π-Extended Porphyrins for Two-Photon Applications.","The Journal of organic chemistry","2014","79","18","8812","8825","10.1021/jo501521x","","","0.71073","MoKα","","0.1209","0.0602","","","0.1449","0.1864","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029919","6.3309","0.0007","21.2857","0.0017","10.2101","0.0008","90","","94.018","0.008","90","","1372.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.0828","0.0571","","","0.1264","0.1432","","","","","","1.029","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029920","12.71","0.02","5.3452","0.0015","30.525","0.018","90","","95.94","0.02","90","","2063","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","2","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.2047","0.0806","","","0.1396","0.1863","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029921","9.594","0.006","11.315","0.007","13.443","0.007","90","","94.37","0.05","90","","1455.1","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.1413","0.0771","","","0.1904","0.2395","","","","","","0.941","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029922","8.2291","0.0008","9.9232","0.001","13.4701","0.0013","88.964","0.001","76.241","0.001","66.242","0.001","974.11","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C46 H42 N6 O4 -","2","1","","He, Xinwei; Shang, Yongjia; Yu, Zhiyu; Fang, Mei; Zhou, Yao; Han, Guang; Wu, Fuli","FeCl3-Catalyzed Four-Component Nucleophilic Addition/Intermolecular Cyclization Yielding Polysubstituted Pyridine Derivatives.","The Journal of organic chemistry","2014","79","18","8882","8888","10.1021/jo5014383","","","0.71073","MoKα","","0.0666","0.0494","","","0.1339","0.154","","","","","","1.037","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029923","8.0882","0.0007","18.5212","0.0015","14.2817","0.0012","90","","104.474","0.001","90","","2071.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","1","","He, Xinwei; Shang, Yongjia; Yu, Zhiyu; Fang, Mei; Zhou, Yao; Han, Guang; Wu, Fuli","FeCl3-Catalyzed Four-Component Nucleophilic Addition/Intermolecular Cyclization Yielding Polysubstituted Pyridine Derivatives.","The Journal of organic chemistry","2014","79","18","8882","8888","10.1021/jo5014383","","","0.71073","MoKα","","0.0796","0.0552","","","0.1485","0.167","","","","","","1.054","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029924","10.823","0.003","18.18","0.004","13.015","0.003","90","","95.063","0.007","90","","2550.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.152","0.0753","","","0.138","0.1676","","","","","","1.017","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029925","6.3207","0.0002","15.0052","0.0005","22.6397","0.0007","93.288","0.003","93.164","0.003","90.947","0.003","2140.01","0.12","140","2","140","1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H21 N3 -","- C30 H21 N3 -","- C120 H84 N12 -","4","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71073","Mo-Kα","","0.0787","0.0476","","","0.0799","0.0886","","","","","","1.021","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029926","6.2684","0.0002","15.0958","0.0005","25.284","0.0017","92.532","0.007","91.034","0.006","91.031","0.006","2389.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N3 O2 -","- C32 H25 N3 O2 -","- C128 H100 N12 O8 -","4","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.1043","0.056","","","0.108","0.1242","","","","","","1.03","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029927","9.8801","0.0008","10.3199","0.0009","14.6283","0.0013","80.05","0.006","71.94","0.005","63.397","0.005","1266.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 B F2 N3 O2 -","- C32 H24 B F2 N3 O2 -","- C64 H48 B2 F4 N6 O4 -","2","1","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.1315","0.0613","","","0.1276","0.1578","","","","","","0.96","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029928","9.6515","0.0003","14.4863","0.0014","20.1681","0.0014","90","","98.122","0.005","90","","2791.5","0.3","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31.5 H28 B Cl Fe N P -","- C31.5 H28 B Cl Fe N P -","- C126 H112 B4 Cl4 Fe4 N4 P4 -","4","2","","Utepova, Irina A.; Chupakhin, Oleg N.; Serebrennikova, Polina O.; Musikhina, Alexandra A.; Charushin, Valery N.","Two approaches in the synthesis of planar chiral azinylferrocenes.","The Journal of organic chemistry","2014","79","18","8659","8667","10.1021/jo5014299","","","0.71073","MoKα","","0.0945","0.0435","","","0.099","0.1057","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029929","16.043","0.002","5.0891","0.0007","24.389","0.003","90","","101.335","0.009","90","","1952.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Gogoi, Paramartha; Das, Vijay K.; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Tetrahydrofurans via Prins Cyclization of Enol Ethers.","The Journal of organic chemistry","2014","79","18","8592","8598","10.1021/jo501197y","","","0.71073","MoKα","","0.2206","0.0791","","","0.1835","0.2315","","","","","","1.28","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029930","11.0213","0.0003","17.4606","0.0004","8.8968","0.0004","90","","99.669","0.001","90","","1687.77","0.1","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","1","","Lago-Santomé, Hugo; Martínez-Bescos, Patricia; Fernández-González, Marta; Ozores-Viturro, Lidia; Cagide-Fagín, Fernando; Alonso, Ricardo","β-Aryl-α-nitro-α,β-enals as Heterodienes and Dienophiles.","The Journal of organic chemistry","2014","79","18","8645","8651","10.1021/jo501418u","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0824","0.0851","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029931","10.1068","0.0003","11.4613","0.0003","20.4388","0.0007","77.611","0.003","83.791","0.003","79.541","0.002","2268.11","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H57 Br3 N6 O3 -","- C39 H57 Br3 N6 O3 -","- C78 H114 Br6 N12 O6 -","2","2","","Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio","Chiral imidazolium receptors for citrate and malate: the importance of the preorganization.","The Journal of organic chemistry","2014","79","19","9141","9149","10.1021/jo5014977","","","1.54184","CuKα","","0.1178","0.0999","","","0.3166","0.3346","","","","","","1.347","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029932","23.4217","0.0018","7.2389","0.0004","8.3178","0.0006","90","","110.206","0.006","90","","1323.47","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Br2 N4 O2 -","- C26 H36 Br2 N4 O2 -","- C52 H72 Br4 N8 O4 -","2","0.5","","Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio","Chiral imidazolium receptors for citrate and malate: the importance of the preorganization.","The Journal of organic chemistry","2014","79","19","9141","9149","10.1021/jo5014977","","","0.71073","MoKα","","0.0406","0.0392","","","0.1053","0.1063","","","","","","1.063","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029933","19.096","0.002","8.8874","0.001","24.908","0.003","90","","90","","90","","4227.2","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C176 H176 N48 O16 -","16","2","","Rajam, Sridhar; Jadhav, Abhijit V.; Li, Qian; Sarkar, Sujan K.; Singh, Pradeep N. D.; Rohr, Ahleah; Pace, Tamara C. S.; Li, Rui; Krause, Jeanette A.; Bohne, Cornelia; Ault, Bruce S.; Gudmundsdottir, Anna D.","Triplet sensitized photolysis of a vinyl azide: direct detection of a triplet vinyl azide and nitrene.","The Journal of organic chemistry","2014","79","19","9325","9334","10.1021/jo501898p","","","0.7749","synchrotron","","0.0503","0.0395","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029934","16.6232","0.0002","8.487","0.0001","24.2138","0.0002","90","","109.581","0.001","90","","3218.55","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","2","","Danilkina, N. A.; Kulyashova, A. E.; Khlebnikov, A. F.; Bräse, S; Balova, I. A.","Electrophilic cyclization of aryldiacetylenes in the synthesis of functionalized enediynes fused to a heterocyclic core.","The Journal of organic chemistry","2014","79","19","9018","9045","10.1021/jo501396s","","","1.5418","CuKα","","0.0479","0.047","","","0.1295","0.1303","","","","","","1.064","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029935","13.361","0.002","16.306","0.003","20.844","0.003","74.337","0.003","75.436","0.003","81.902","0.003","4219","1.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Leu-Leu-Ac5N3)2-OMe","","- C42 H70 N18 O9 -","- C42 H70 N18 O9 -","- C126 H210 N54 O27 -","3","3","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.1013","0.0864","","","0.2284","0.2459","","","","","","1.023","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029936","12.2673","0.001","18.0264","0.0014","54.885","0.004","90","","90","","90","","12137","1.6","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Ac5N3)6-OMe","","- C42 H54 N42 O9 -","- C42 H54 N42 O9 -","- C336 H432 N336 O72 -","8","2","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0945","0.0879","","","0.2505","0.2593","","","","","","1.085","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029937","23.275","0.002","38.487","0.003","11.2451","0.001","90","","90","","90","","10073.2","1.5","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Leu-Ac5N3)4-OMe","","- C78 H128 N36 O15 -","- C78 H128 N36 O15 -","- C312 H512 N144 O60 -","4","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0893","0.0765","","","0.2187","0.2343","","","","","","1.033","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029938","10.867","0.0007","23.2902","0.0018","15.3789","0.0011","90","","93.761","0.002","90","","3883.9","0.5","143","2","143","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-(R,R)Ac5(N3))3-OMe.MeOH","","- C61 H103 N27 O13 -","- C61 H103 N27 O13 -","- C122 H206 N54 O26 -","2","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.7107","MoKα","","0.1254","0.089","","","0.2152","0.2434","","","","","","1.03","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029939","7.0598","0.0004","8.494","0.0005","10.5944","0.0006","97.816","0.003","93.664","0.002","113.447","0.003","572.54","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","6H-quinazolino[4,3-b]quinazoline-6,8(5H)-dione","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C30 H18 N6 O4 -","2","1","","Bergman, Jan; Arewång, Carl-Johan; Svensson, Per H.","Oxidative ring expansion of spirocyclic oxindole derivatives.","The Journal of organic chemistry","2014","79","19","9065","9073","10.1021/jo501269f","","","0.71073","MoKα","","0.0739","0.0415","","","0.1014","0.1117","","","","","","1.056","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4029940","8.1501","0.0004","17.73","0.0008","17.8702","0.0009","111.23","0.001","90.19","0.001","98.07","0.002","2379.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","13-Hydroxyimino-6H-quinoazolino[3,4-a]quinazoline-6 (7H)-one","","- C15 H10 N4 O2 -","- C15 H10 N4 O2 -","- C120 H80 N32 O16 -","8","4","","Bergman, Jan; Arewång, Carl-Johan; Svensson, Per H.","Oxidative ring expansion of spirocyclic oxindole derivatives.","The Journal of organic chemistry","2014","79","19","9065","9073","10.1021/jo501269f","","","0.7","synchrotron","","0.0706","0.0687","","","0.2169","0.2181","","","","","","1.002","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4029941","40.0502","0.001","23.755","0.0005","28.4445","0.0006","90","","129.97","0.0007","90","","20739.6","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H72 Cl4 Ir2 O2 P2 -","- C50 H72 Cl4 Ir2 O2 P2 -","- C800 H1152 Cl64 Ir32 O32 P32 -","16","2","","Nagata, Tomoya; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Iridium-catalyzed annulative coupling of 2-arylbenzoyl chlorides with alkynes: selective formation of phenanthrene derivatives.","The Journal of organic chemistry","2014","79","19","8960","8967","10.1021/jo501835u","","","0.71073","MoKα","","0.0625","0.0411","","","0.0917","0.1008","","","","","","1.011","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029942","16.672","0.0012","9.9486","0.0007","18.7198","0.0013","90","","90.02","","90","","3104.9","0.4","102","2","102","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 N6 O4 -","- C41 H30 N6 O4 -","- C164 H120 N24 O16 -","4","0.5","","Banerjee, Swagata; Bright, Sandra A.; Smith, Jayden A.; Burgeat, Jeremy; Martinez-Calvo, Miguel; Williams, D. Clive; Kelly, John M.; Gunnlaugsson, Thorfinnur","Supramolecular Approach to Enantioselective DNA Recognition Using Enantiomerically Resolved Cationic 4-Amino-1,8-naphthalimide-Based Tröger's Bases.","The Journal of organic chemistry","2014","79","19","9272","9283","10.1021/jo501711g","","x-ray","0.71073","MoKα","","","0.0391","","","0.0971","0.1055","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029943","8.9801","0.0001","6.8503","0.0001","10.1338","0.0002","90","","102.746","0.002","90","","608.033","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0441","0.0434","","","0.1223","0.1234","","","","","","1.068","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029944","8.1569","0.00007","9.74184","0.00008","8.33981","0.00006","90","","101.428","0.0007","90","","649.569","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0277","0.0267","","","0.07","0.071","","","","","","1.058","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029945","5.7152","0.0009","10.2166","0.0016","11.0264","0.0017","63.897","0.005","84.349","0.006","77.26","0.005","563.93","0.15","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 O6 S2 -","- C22 H30 O6 S2 -","- C22 H30 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0362","","","","0.099","","","","","","1.047","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029946","8.0141","0.0013","25.471","0.005","7.4012","0.0012","90","","99.659","0.007","90","","1489.4","0.5","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 O6 S2 -","- C26 H36 Br2 O6 S2 -","- C52 H72 Br4 O12 S4 -","2","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0673","","","","0.1428","","","","","","1.199","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029947","5.6618","0.0009","9.0551","0.0015","13.657","0.002","102.316","0.007","90.782","0.006","96.64","0.007","678.94","0.19","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H38 O6 S2 -","- C26 H38 O6 S2 -","- C26 H38 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0673","","","","0.1936","","","","","","1.038","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029948","13.1978","0.0016","22.799","0.003","6.8177","0.0008","90","","98.9986","0.0016","90","","2026.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O S2 -","- C25 H19 N O S2 -","- C100 H76 N4 O4 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0669","0.0413","","","0.0952","0.1112","","","","","","1.076","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029949","5.516","0.002","9.667","0.004","11.016","0.004","72.675","0.007","86.768","0.008","88.228","0.008","559.8","0.4","90","2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","1","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0962","0.0805","","","0.1965","0.2042","","","","","","1.184","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029950","17.4801","0.0002","24.8084","0.0003","10.8082","0.0002","90","","105.87","0.0006","90","","4508.36","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H19.5 Cl1.5 N O S2 -","- C25.5 H19.5 Cl1.5 N O S2 -","- C204 H156 Cl12 N8 O8 S16 -","8","2","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.0561","0.0533","","","0.1552","0.159","","","","","","1.044","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029951","17.0701","0.0013","10.6332","0.0009","11.9628","0.0011","90","","106.038","0.006","90","","2086.9","0.3","90","0.1","90","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 S2 -","- C28 H18 N2 S2 -","- C112 H72 N8 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.1234","0.0805","","","0.2046","0.23","","","","","","1.06","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029952","11.6513","0.0002","12.2564","0.0002","15.2898","0.0003","90","","90","","90","","2183.43","0.07","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.0573","0.0489","","","0.1258","0.1408","","","","","","1.245","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029953","6.5738","0.0006","8.9116","0.0008","17.237","0.0015","90","","97.4332","0.0013","90","","1001.31","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 S2 -","- C24 H26 N2 S2 -","- C48 H52 N4 S4 -","2","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0475","0.0388","","","0.0884","0.0922","","","","","","1.045","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029954","20.5364","0.0008","5.4027","0.0002","18.7745","0.0009","90","","90","","90","","2083.07","0.15","90","2","90.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H18 N2 S2 -","- C28 H18 N2 S2 -","- C112 H72 N8 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.036","0.0334","","","0.0861","0.0879","","","","","","1.05","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029955","5.429","0.004","8.743","0.005","16.342","0.011","96.3","0.03","96.6","0.03","92.33","0.03","764.8","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","","Holland, Ryan J.; Klose, John R.; Deschamps, Jeffrey R.; Cao, Zhao; Keefer, Larry K.; Saavedra, Joseph E.","Direct reaction of amides with nitric oxide to form diazeniumdiolates.","The Journal of organic chemistry","2014","79","19","9389","9393","10.1021/jo501670e","","","0.71073","MoKα","","0.2446","0.0772","","","0.1677","0.2435","","","","","","0.703","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029956","18.3109","0.0019","10.8087","0.0009","20.0132","0.0016","90","","109.785","0.004","90","","3727.1","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C160 H144 N32 O24 -","8","1","","Holland, Ryan J.; Klose, John R.; Deschamps, Jeffrey R.; Cao, Zhao; Keefer, Larry K.; Saavedra, Joseph E.","Direct reaction of amides with nitric oxide to form diazeniumdiolates.","The Journal of organic chemistry","2014","79","19","9389","9393","10.1021/jo501670e","","","0.71073","MoKα","","0.0863","0.0454","","","0.1252","0.1423","","","","","","0.839","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029957","6.244","0.0006","14.7133","0.0014","29.145","0.003","90","","90","","90","","2677.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0644","0.0586","","","0.1672","0.1775","","","","","","1.06","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029958","14.7136","0.0015","6.2522","0.0006","29.166","0.003","90","","90","","90","","2683","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0646","0.0596","","","0.1716","0.1792","","","","","","1.049","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029959","7.9222","0.0004","9.853","0.0004","20.0514","0.001","90","","92.404","0.002","90","","1563.78","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O5 S Si -","- C29 H45 N O5 S Si -","- C58 H90 N2 O10 S2 Si2 -","2","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0453","0.0413","","","0.1108","0.1146","","","","","","1.037","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029960","5.1338","0.0001","15.8134","0.0004","20.2951","0.0005","90","","90","","90","","1647.61","0.07","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C64 H88 N8 O16 S4 -","4","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0348","0.0328","","","0.0917","0.0936","","","","","","1.067","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029961","27.15","0.009","15.576","0.005","8.563","0.003","90","","90","","90","","3621","2","243","2","243","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 Cl N Rh -","- C18 H23 Cl N Rh -","- C144 H184 Cl8 N8 Rh8 -","8","2","","Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook","C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.","The Journal of organic chemistry","2014","79","19","9094","9103","10.1021/jo501465q","","","0.71073","MoKα","","0.1282","0.0495","","","0.0639","0.0861","","","","","","0.785","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029962","7.441","0.0004","15.3649","0.0008","16.7791","0.0009","90","","95.969","0.001","90","","1907.96","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N O Rh -","- C18 H26 Cl2 N O Rh -","- C72 H104 Cl8 N4 O4 Rh4 -","4","1","","Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook","C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.","The Journal of organic chemistry","2014","79","19","9094","9103","10.1021/jo501465q","","","0.71073","MoKα","","0.0889","0.0397","","","0.0692","0.088","","","","","","0.963","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029963","11.645","0.002","7.142","0.0014","21.215","0.004","90","","99.78","0.03","90","","1738.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Cl N O4 -","- C22 H12 Cl N O4 -","- C88 H48 Cl4 N4 O16 -","4","1","","Zhang, Zhenming; Ouyang, Lu; Wu, Wanqing; Li, Jianxiao; Zhang, Zhicai; Jiang, Huanfeng","Palladium-catalyzed intermolecular oxyvinylcyclization of alkenes with alkynes: an approach to 3-methylene γ-lactones and tetrahydrofurans.","The Journal of organic chemistry","2014","79","22","10734","10742","10.1021/jo501606c","","","0.71073","MoKα","","0.1797","0.0904","","","0.2727","0.3441","","","","","","0.965","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029964","12.4071","0.0007","12.8438","0.0007","11.3777","0.0006","90","","115.763","0.003","90","","1632.86","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Yang, Yuanfa; Wang, Lina; Zhang, Fang; Zhu, Gangguo","Preparation of (Z)-α,β-Disubstituted Enamides via Palladium-Catalyzed Addition of Boronic Acids to Ynamides.","The Journal of organic chemistry","2014","79","19","9319","9324","10.1021/jo501894j","","","0.71073","MoKα","","","0.0439","","","0.1199","0.1322","","","","","","1.055","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029965","28.0291","0.0006","25.3002","0.0005","13.8427","0.0004","90","","90","","90","","9816.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H66 Br2 O9 Si2 -","- C48 H66 Br2 O9 Si2 -","- C384 H528 Br16 O72 Si16 -","8","2","","Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk","Total synthesis of the proposed structure of trichodermatide a.","The Journal of organic chemistry","2014","79","20","9812","9817","10.1021/jo501206k","","","0.71073","MoKα","","0.0784","0.0405","","","0.0688","0.073","","","","","","0.816","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029966","5.1037","0.0003","12.7494","0.0007","31.1738","0.0017","90","","92.531","0.003","90","","2026.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk","Total synthesis of the proposed structure of trichodermatide a.","The Journal of organic chemistry","2014","79","20","9812","9817","10.1021/jo501206k","","","0.71073","MoKα","","0.1762","0.0625","","","0.106","0.1292","","","","","","0.939","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029971","19.928","0.004","6.3285","0.0013","13.209","0.003","90","","91.27","0.03","90","","1665.4","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","0.5","","Wan, Jie-Ping; Zhou, Youyi; Cao, Shuo","Domino reactions involving the branched C-N and c═c cleavage of enaminones toward pyridines synthesis.","The Journal of organic chemistry","2014","79","20","9872","9877","10.1021/jo5018266","","","0.71073","MoKα","","0.0592","0.0372","","","0.0904","0.108","","","","","","1.134","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029972","20.891","0.0004","16.1795","0.0003","10.0364","0.0003","90","","90","","90","","3392.36","0.14","291","2","291.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H38.25 Cl N2 O2.13 P Pd -","- C38 H28 Cl N2 O2.125 P Pd -","- C152 H112 Cl4 N8 O8.5 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.7107","MoKα","","0.0529","0.0428","","","0.0911","0.0968","","","","","","1.044","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029973","7.9822","0.0002","17.328","0.0005","17.6516","0.0007","90","","90","","90","","2441.49","0.13","291","2","291.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl N O3 P Pd -","- C27 H23 Cl N O3 P Pd -","- C108 H92 Cl4 N4 O12 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.71073","MoKα","","0.0392","0.0318","","","0.0597","0.063","","","","","","1.043","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029974","5.9141","0.0002","11.5887","0.0003","21.4526","0.0006","90","","93.276","0.002","90","","1467.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C76 H48 Br4 N4 O4 -","4","1","","Wang, Fuyao; Shen, Yongmiao; Hu, Huayou; Wang, Xiangshan; Wu, Hui; Liu, Yun","Copper(II)-Catalyzed Indolizines Formation Followed by Dehydrogenative Functionalization Cascade to Synthesize 1-Bromoindolizines.","The Journal of organic chemistry","2014","79","20","9556","9566","10.1021/jo501626b","","","0.71073","MoKα","","0.0429","0.0342","","","0.0861","0.0909","","","","","","1.113","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029975","9.6062","0.0014","18.877","0.003","20.063","0.003","107.633","0.009","98.257","0.01","97.712","0.009","3369.8","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H36 N2 O5 -","- C27 H35.8 N2 O5 -","- C135 H179 N10 O25 -","5","5","","Das, Sayantan; Goswami, Rajib Kumar","Stereoselective total synthesis of marine cyclodepsipeptide calcaripeptides a-C.","The Journal of organic chemistry","2014","79","20","9778","9791","10.1021/jo5019798","","","0.71073","MoKα","","0.1944","0.081","","","0.1786","0.2526","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4029976","11.2752","0.0004","10.1733","0.0004","15.1181","0.0005","90","","94.113","0.002","90","","1729.67","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trp031014","trp031014","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0455","0.0364","","","0.0968","0.1038","","","","","","1.04","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029977","12.0741","0.0008","13.1671","0.0008","22.1093","0.0014","90","","90","","90","","3515","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","trp030514","trp030514","","- C20 H24 N O3 -","- C20 H24 N O3 -","- C160 H192 N8 O24 -","8","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0571","0.0397","","","0.0965","0.1058","","","","","","1.012","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029978","11.094","0.004","12.716","0.004","13.616","0.005","72.135","0.005","74.147","0.006","82.734","0.006","1756.8","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N2 O2 S2 -","- C44 H36 N2 O2 S2 -","- C88 H72 N4 O4 S4 -","2","1","","Ganapathi, Emandi; Lee, Way-Zen; Ravikanth, Mangalampalli","Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis, structure, spectral, electrochemical, and metal ion sensing studies.","The Journal of organic chemistry","2014","79","20","9603","9612","10.1021/jo501724d","","","0.71073","MoKα","","0.1486","0.066","","","0.1546","0.2058","","","","","","1","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029979","9.779","0.005","15.51","0.009","15.774","0.008","115.884","0.01","104.725","0.009","90.077","0.01","2064.4","1.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H33 I N2 O2 S2 -","- C43 H33 I N2 O2 S2 -","- C86 H66 I2 N4 O4 S4 -","2","1","","Ganapathi, Emandi; Lee, Way-Zen; Ravikanth, Mangalampalli","Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis, structure, spectral, electrochemical, and metal ion sensing studies.","The Journal of organic chemistry","2014","79","20","9603","9612","10.1021/jo501724d","","","0.71073","MoKα","","0.2586","0.0986","","","0.2239","0.315","","","","","","1.314","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029980","8.3116","0.0002","7.9434","0.0002","12.1109","0.0003","90","","91.6599","0.0013","90","","799.25","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0383","0.033","","0.0813","0.0763","0.0813","","","","","","0.9267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029981","8.0958","0.0001","15.5197","0.0003","21.6546","0.0003","90","","90","","90","","2720.78","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O6 -","- C28 H39 N O6 -","- C112 H156 N4 O24 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0374","0.0324","","0.0806","0.0784","0.0806","","","","","","0.9869","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029982","6.5462","0.0002","8.6135","0.0003","15.1907","0.0005","90","","90","","90","","856.54","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0236","0.0223","","0.0553","0.0546","0.0553","","","","","","1.0186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029983","5.09924","0.00011","8.14026","0.00019","20.2137","0.0004","90","","91.852","0.002","90","","838.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O8 -","- C14 H21 N O8 -","- C28 H42 N2 O16 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","1.54184","CuKα","","0.0373","0.036","","0.0948","0.0926","0.0948","","","","","","1.0053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029984","8.0389","0.0007","22.5581","0.0018","12.9197","0.0011","90","","91.043","0.006","90","","2342.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 B3 N4 P -","- C25 H36 B N2 P -","- C100 H144 B4 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0794","0.0411","","","0.1081","0.1426","","","","","","0.978","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029985","13.7887","0.0008","11.9484","0.0006","15.2068","0.0008","90","","97.149","0.002","90","","2485.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 B N2 P -","- C25 H42 B N2 P -","- C100 H168 B4 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0428","0.0418","","","0.1473","0.1521","","","","","","1.403","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029986","12.0541","0.0003","16.1202","0.0004","15.0576","0.0003","90","","92.0953","0.0012","90","","2923.95","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 B2 F4 N2 P -","- C25 H49 B2 F4 N2 P -","- C100 H196 B8 F16 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0601","0.0468","","","0.13","0.1374","","","","","","1.381","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029987","11.3394","0.0005","13.9575","0.0007","14.6789","0.0008","93.95","0.003","90.335","0.002","104.56","0.002","2242.63","0.19","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 B N2 P -","- C23 H34 B N2 P -","- C92 H136 B4 N8 P4 -","4","2","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0743","0.0628","","","0.1796","0.1853","","","","","","1.904","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029988","18.637","0.004","7.6745","0.0016","11.725","0.003","90","","101.421","0.016","90","","1643.8","0.7","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Okamoto, Noriko; Sueda, Takuya; Yanada, Reiko","Bi(OTf)3-Catalyzed Tandem Meyer-Schuster Rearrangement and 1,4-Addition to the Resulting Vinyl Ketone.","The Journal of organic chemistry","2014","79","20","9854","9859","10.1021/jo5017663","","","1.54187","CuKα","","","0.0421","","","","0.0717","","","","","","1.034","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029989","3.838","0.0004","7.3609","0.0008","16.283","0.0017","90","","92.324","0.01","90","","459.63","0.08","100.05","0.1","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 N4 S3 -","- C7 H6 N4 S3 -","- C14 H12 N8 S6 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0473","0.0432","","","0.101","0.1051","","","","","","1.062","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029990","7.9239","0.0007","8.1833","0.0006","11.9333","0.0011","86.14","0.007","78.319","0.008","65.964","0.008","691.97","0.11","100","3","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 N5 S2 -","- C11 H17 N5 S2 -","- C22 H34 N10 S4 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.066","0.0503","","","0.1343","0.1466","","","","","","1.076","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029991","3.922","0.0003","16.852","0.0014","13.4334","0.0011","90","","94.338","0.008","90","","885.32","0.12","100.05","0.1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 S2 -","- C7 H6 N4 S2 -","- C28 H24 N16 S8 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0445","0.0392","","","0.0979","0.1006","","","","","","1.052","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029992","9.7319","0.0004","18.6419","0.0009","9.2096","0.0005","90","","94.93","0.004","90","","1664.63","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 S3 -","- C14 H12 N8 S3 -","- C56 H48 N32 S12 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0497","0.0438","","","0.1176","0.1222","","","","","","1.062","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029993","7.8861","0.0006","8.2893","0.001","8.3398","0.0009","113.381","0.011","99.47","0.008","97.678","0.008","481.53","0.1","100.05","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N4 S3 -","- C7 H6 N4 S3 -","- C14 H12 N8 S6 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0602","0.0442","","","0.0965","0.1059","","","","","","1.036","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029996","11.2767","0.0007","5.3947","0.0003","11.4249","0.0008","90","","108.049","0.003","90","","660.83","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br N O5 -","- C12 H12 Br N O5 -","- C24 H24 Br2 N2 O10 -","2","1","","Roy, Suparna; Chen, Kan-Fu; Gurubrahamam, Ramani; Chen, Kwunmin","Organocatalytic kinetic resolution of racemic secondary nitroallylic alcohols combined with simultaneous desymmetrization of prochiral cyclic anhydrides.","The Journal of organic chemistry","2014","79","19","8955","8959","10.1021/jo501882q","","","0.71073","MoKα","","0.0222","0.0196","","","0.0429","0.0435","","","","","","0.935","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029997","8.1739","0.0005","11.6246","0.0007","22.2901","0.0013","90","","90","","90","","2118","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl2 N2 O2 -","- C19 H18 Cl2 N2 O2 -","- C76 H72 Cl8 N8 O8 -","4","1","","Zhu, Ren-Yi; Wang, Cong-Shuai; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Organocatalytic asymmetric inverse-electron-demand 1,3-dipolar cycloaddition of n,n'-cyclic azomethine imines.","The Journal of organic chemistry","2014","79","19","9305","9312","10.1021/jo5018469","","","0.71073","MoKα","","0.0705","0.0543","","","0.1532","0.1622","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029998","10.2176","0.0001","10.2887","0.0002","24.2502","0.0003","90","","90","","90","","2549.32","0.06","175","","175","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N O5 -","- C26 H39 N O5 -","- C104 H156 N4 O20 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0381","0.0376","","","0.0945","0.0953","","","","","","1.07","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029999","25.5016","0.0005","25.5016","0.0005","5.8826","0.0001","90","","90","","120","","3313.1","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 32","P 32","145","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C126 H192 O30 -","6","2","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0512","0.0477","","","0.1379","0.1421","","","","","","1.075","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4030000","8.2272","0.0004","18.3055","0.0008","18.5334","0.0009","90","","90","","90","","2791.2","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Br N O5 S -","- C28 H38 Br N O5 S -","- C112 H152 Br4 N4 O20 S4 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0281","0.0276","","","0.0743","0.0747","","","","","","1.041","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030001","9.636","0.00009","9.3346","0.00009","10.4933","0.0001","90","","100.023","0.0003","90","","929.448","0.015","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","x-ray","1.54178","CuKα","","0.0278","0.0276","","","0.0729","0.0731","","","","","","1.038","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030002","13.884","0.003","14.04","0.003","14.355","0.003","118.32","0.03","92.91","0.03","103.95","0.03","2345.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 N4 O8 S2 -","- C52 H47 N4 O8 S2 -","- C104 H94 N8 O16 S4 -","2","1","","Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi","From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.","The Journal of organic chemistry","2014","79","20","9865","9871","10.1021/jo501785d","","","0.71073","MoKα","","0.2024","0.0782","","","0.1656","0.2142","","","","","","0.953","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030003","10.44","0.002","13.354","0.003","17.733","0.004","89.41","0.03","85.38","0.03","72.64","0.03","2351.7","1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","2","","Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi","From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.","The Journal of organic chemistry","2014","79","20","9865","9871","10.1021/jo501785d","","","0.71073","MoKα","","0.063","0.0505","","","0.1376","0.145","","","","","","1.088","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030004","6.4801","0.0002","7.5911","0.0002","9.3705","0.0003","89.089","0.002","85.416","0.002","66.739","0.003","422.06","0.02","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C18 H16 O8 -","2","1","","Hodgson, David M.; Man, Stanislav; Powell, Kimberley J.; Perko, Ziga; Zeng, Minxiang; Moreno-Clavijo, Elena; Thompson, Amber L.; Moore, Michael D.","Intramolecular oxonium ylide formation-[2,3] sigmatropic rearrangement of diazocarbonyl-substituted cyclic unsaturated acetals: a formal synthesis of hyperolactone C.","The Journal of organic chemistry","2014","79","20","9728","9734","10.1021/jo501893r","","","1.5418","CuKα","","0.0294","0.0288","","0.0726","0.0721","0.0726","","","","","","1.0024","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030005","9.58","0.004","10.49","0.004","20.176","0.007","90","","90","","90","","2027.6","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 O S2 -","- C25 H18 O S2 -","- C100 H72 O4 S8 -","4","1","","Liu, Changhui; Gu, Yanlong","Synthesis of Densely Substituted 1,3-Butadienes through Acid-Catalyzed Alkenylations of α-Oxoketene Dithioacetals with Aldehydes.","The Journal of organic chemistry","2014","79","20","9619","9627","10.1021/jo5017234","","","0.71073","MoKα","","0.0653","0.0476","","","0.1377","0.1555","","","","","","1.004","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030006","12.0216","0.0002","18.9542","0.0003","27.6717","0.0019","90","","90","","90","","6305.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78.2 H64.4 N O8.6 P -","- C73 H54 N O6 P -","- C292 H216 N4 O24 P4 -","4","1","","Isaac, Kévin; Stemper, Jérémy; Servajean, Vincent; Retailleau, Pascal; Pastor, Julien; Frison, Gilles; Kaupmees, Karl; Leito, Ivo; Betzer, Jean-François; Marinetti, Angela","Planar chiral phosphoric acids with biphenylene-tethered paracyclophane scaffolds: synthesis, characterization, and catalytic screening.","The Journal of organic chemistry","2014","79","20","9639","9646","10.1021/jo501769t","","","1.54187","CuKα","","0.1144","0.078","","","0.1923","0.2406","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030007","11.2788","0.0011","12.8154","0.0013","14.632","0.0014","90","","90","","90","","2114.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C72 H92 Cl12 N4 O24 P4 -","4","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.04","0.0387","","","0.0876","0.0883","","","","","","1.093","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030008","6.2184","0.0015","16.744","0.004","10.777","0.003","90","","91.444","0.004","90","","1121.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C36 H46 Cl6 N2 O12 P2 -","2","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.0658","0.0603","","","0.1316","0.1344","","","","","","1.173","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030009","10.1013","0.0002","7.05282","0.00015","10.41517","0.00019","90","","92.2668","0.0013","90","","741.42","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C40 H34 N6 -","2","1","","Takeda, Takashi; Sugihara, Hiroyuki; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic behavior, electrochromism, and two-photon absorption of dicyanomethylenated quinacridone.","The Journal of organic chemistry","2014","79","20","9669","9677","10.1021/jo501800g","","","1.54187","CuKα","","","0.0466","","","","0.1197","","","","","","1.054","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030010","8.90134","0.00016","13.2462","0.0003","17.7316","0.0004","84.1372","0.0007","81.9146","0.0007","68.2867","0.0007","1920.21","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H52 N6 -","- C46 H52 N6 -","- C92 H104 N12 -","2","1","","Takeda, Takashi; Sugihara, Hiroyuki; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic behavior, electrochromism, and two-photon absorption of dicyanomethylenated quinacridone.","The Journal of organic chemistry","2014","79","20","9669","9677","10.1021/jo501800g","","","1.54187","CuKα","","","0.0831","","","","0.2827","","","","","","1.113","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030011","10.5913","0.0007","14.7571","0.001","8.3539","0.0005","90","","99.044","0.003","90","","1289.46","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N O S2 -","- C15 H9 N O S2 -","- C60 H36 N4 O4 S8 -","4","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0692","0.0414","","","0.0976","0.1106","","","","","","1.022","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030012","8.601","0.002","9.794","0.002","13.733","0.003","90","","104.807","0.009","90","","1118.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O S2 -","- C12 H9 N O S2 -","- C48 H36 N4 O4 S8 -","4","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0659","0.0567","","","0.1716","0.1832","","","","","","1.063","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030013","7.6639","0.0012","8.4973","0.0014","11.1966","0.0016","94.77","0.011","102.372","0.009","109.924","0.01","659.83","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C30 H26 N2 O6 S2 -","2","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0581","0.0397","","","0.0923","0.1013","","","","","","1.026","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030014","13.108","0.003","24.71","0.005","13.243","0.003","90","","95.99","0.03","90","","4266","1.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57.49 H43.69 Cl1.04 -","- C57.496 H43.704 Cl1.02 -","- C229.984 H174.816 Cl4.08 -","4","1","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0634","0.0623","","","0.1756","0.1769","","","","","","1.1","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030015","12.289","0.003","15.382","0.003","6.0239","0.0012","90","","99.35","0.03","90","","1123.6","0.4","90","0.2","90","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","[6]cyclo-m-phenylene","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","0.5","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54178","CuKα","","0.041","0.0362","","","0.0942","0.0977","","","","","","1.015","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030016","17.55","0.008","17.55","0.008","5.619","0.003","90","","90","","90","","1730.7","1.4","93","","93","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C48.5 H39 O3 -","- C48.5 H39.5 O3 -","- C97 H79 O6 -","2","0.25","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","","0.051","","","","0.1309","","","","","","1.099","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030017","16.2882","0.0018","5.4529","0.0007","22.623","0.003","90","","107.144","0.003","90","","1920","0.4","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0382","0.0368","","","0.102","0.1042","","","","","","1.026","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030018","16.7629","0.0011","13.5865","0.0008","26.032","0.003","90","","99.125","0.003","90","","5853.7","0.9","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H29.5 N0.5 -","- C43 H29.5 N0.5 -","- C344 H236 N4 -","8","2","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0449","0.043","","","0.1126","0.1155","","","","","","1.059","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030019","14.4871","0.0017","10.6354","0.0012","11.1892","0.0013","90","","96.788","0.002","90","","1711.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0991","0.044","","","0.1004","0.1613","","","","","","0.867","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030020","10.5459","0.0007","11.3676","0.0006","30.188","0.0018","90","","90","0.004","90","","3619","0.4","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C23 H16 Cl N O -","- C23 H16 Cl N O -","- C184 H128 Cl8 N8 O8 -","8","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.1173","0.0673","","","0.1523","0.1906","","","","","","1.079","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030021","14.2581","0.001","11.0348","0.0008","11.2185","0.0008","90","","96.72","0.003","90","","1752.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br N O -","- C23 H16 Br N O -","- C92 H64 Br4 N4 O4 -","4","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0339","0.0287","","","0.0751","0.0821","","","","","","1.066","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030022","6.6749","0.0003","9.4393","0.0005","15.0974","0.0008","79.626","0.002","85.796","0.003","77.639","0.003","913.39","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 I N O -","- C23 H16 I N O -","- C46 H32 I2 N2 O2 -","2","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0603","0.0429","","","0.1324","0.1444","","","","","","1.11","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030023","8.923","0.0011","11.9585","0.0015","13.4158","0.0013","95.421","0.011","101.505","0.008","102.728","0.009","1353.9","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16.5 H10 Cl N O3 -","- C16.5 H10 Cl N O3 -","- C66 H40 Cl4 N4 O12 -","4","2","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.2823","0.0903","","","0.1425","0.199","","","","1.73","1.73","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030024","28.113","0.0005","7.5217","0.0007","7.293","0.002","90","","90","","90","","1542.2","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H13 N3 O S -","- C19 H13 N3 O S -","- C76 H52 N12 O4 S4 -","4","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1132","0.0635","","","0.0945","0.1032","","","","2.05","2.05","1.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030025","3.805","0.0005","19.887","0.002","13.8334","0.0016","90","","93.536","0.014","90","","1044.8","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 N2 O -","- C15 H6 N2 O -","- C60 H24 N8 O4 -","4","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1723","0.1026","","","0.2333","0.2512","","","","3.01","3.01","2.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030026","12.8326","0.0002","5.3196","0.0004","7.7207","0.0006","90","","90.073","0.004","90","","527.05","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H7 N O3 -","- C15 H7 N O3 -","- C30 H14 N2 O6 -","2","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1015","0.0627","","","0.1216","0.1421","","","","1.55","1.55","1.55","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030027","9.7466","0.0007","9.9284","0.0007","18.783","0.0013","90","","90","","90","","1817.6","0.2","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71073","MoKα","","0.0348","0.0289","","","0.0586","0.0601","","","","","","0.988","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030028","6.283","0.011","7.551","0.013","8.088","0.013","93.44","0.018","106.67","0.016","109.007","0.016","342.5","1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","1","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71075","MoKα","","","0.0283","","","","0.0647","","","","","","0.814","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030029","5.87321","0.0001","16.3775","0.0003","19.4994","0.0003","90","","96.9849","0.0016","90","","1861.7","0.06","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N4 O3 -","- C23 H18 N4 O3 -","- C92 H72 N16 O12 -","4","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0468","0.0409","","","0.1077","0.1141","","","","","","1.027","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030030","7.8812","0.0003","9.817","0.0003","11.9498","0.0004","95.127","0.003","105.452","0.003","99.544","0.003","870.08","0.05","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0436","0.0419","","","0.1172","0.1191","","","","","","0.992","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030031","8.2888","0.0004","10.3643","0.0005","10.9122","0.0006","91.612","0.004","100.785","0.004","102.962","0.004","895.01","0.08","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0493","0.0422","","","0.1116","0.1193","","","","","","0.992","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030032","11.588","0.0015","11.373","0.0016","16.839","0.003","90","","110.105","0.006","90","","2084","0.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20.38 B Cl2.63 F2 N2 O4 -","- C19 H20.3748 B Cl2.6252 F2 N2 O4 -","- C76 H81.4992 B4 Cl10.5008 F8 N8 O16 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0505","0.0374","","","0.0903","0.0974","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030033","5.5404","0.0002","15.8951","0.0006","21.7416","0.0009","90","","94.046","0.002","90","","1909.91","0.13","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H21.84 B Cl1.16 F2 N2 O4 -","- C19 H21.838 B Cl1.162 F2 N2 O4 -","- C76 H87.352 B4 Cl4.648 F8 N8 O16 -","4","0.5","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0624","0.0517","","","0.14","0.149","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030034","10.812","0.0008","6.0826","0.0005","43.264","0.003","90","","91.017","0.004","90","","2844.8","0.4","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 B F2 N2 O4 S3 -","- C31 H29 B F2 N2 O4 S3 -","- C124 H116 B4 F8 N8 O16 S12 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.1054","0.1003","","","0.2233","0.2242","","","","","","2.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030035","10.7198","0.0002","12.8475","0.0003","14.5759","0.0004","88.5036","0.0011","76.5121","0.001","74.3733","0.0011","1878.47","0.08","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C34 H47 B F2 N2 O4 Si3 -","- C34 H47 B F2 N2 O4 Si3 -","- C68 H94 B2 F4 N4 O8 Si6 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0657","0.0467","","","0.1203","0.1312","","","","","","1.017","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030036","11.9869","0.0009","9.9485","0.0007","20.9771","0.0015","90","","104.362","0.005","90","","2423.4","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C23 H23 B Cl2 F2 N2 O4 S -","- C23 H23 B Cl2 F2 N2 O4 S -","- C92 H92 B4 Cl8 F8 N8 O16 S4 -","4","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.074","0.064","","","0.1704","0.1804","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030037","10.4141","0.0003","21.2135","0.0005","22.6166","0.0006","90","","97.897","0.001","90","","4949.1","0.2","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 B Cl2 F2 N2 O4 -","- C25 H25 B Cl2 F2 N2 O4 -","- C200 H200 B8 Cl16 F16 N16 O32 -","8","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0612","0.0381","","","0.0863","0.0962","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030038","12.2118","0.0006","11.8622","0.0005","19.9913","0.001","90","","106.216","0.002","90","","2780.7","0.2","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B Cl2 F2 N2 O4 Si -","- C24 H29 B Cl2 F2 N2 O4 Si -","- C96 H116 B4 Cl8 F8 N8 O16 Si4 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0607","0.0433","","","0.1059","0.117","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030039","10.3477","0.0003","11.8529","0.0004","15.2611","0.0004","89.11","0.003","71.03","0.003","81.804","0.002","1751.09","0.1","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C33 H41 B F2 N2 O4 S Si2 -","- C33 H41 B F2 N2 O4 S Si2 -","- C66 H82 B2 F4 N4 O8 S2 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0716","0.0476","","","0.1105","0.1225","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030040","10.81","0.0008","6.092","0.0004","44.021","0.003","90","","90.172","0.004","90","","2899","0.3","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 B F2 N2 O4 S2 -","- C33 H31 B F2 N2 O4 S2 -","- C132 H124 B4 F8 N8 O16 S8 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.0536","0.0479","","","0.1209","0.1284","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030041","10.824","0.002","12.553","0.003","14.516","0.002","106.924","0.013","109.773","0.012","94.332","0.012","1742.2","0.6","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 B F2 N2 O4 Si2 -","- C35 H43 B F2 N2 O4 Si2 -","- C70 H86 B2 F4 N4 O8 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.1181","0.0545","","","0.1048","0.126","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030042","23.8106","0.0019","11.7399","0.0009","11.2597","0.0009","90","","101.193","0.004","90","","3087.6","0.4","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 B F2 N2 O4 S2 Si -","- C32 H35 B F2 N2 O4 S2 Si -","- C128 H140 B4 F8 N8 O16 S8 Si4 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0486","0.0345","","","0.0783","0.0849","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030043","12.1354","0.0005","13.2882","0.0006","21.2741","0.001","76.767","0.003","88.504","0.002","78.66","0.003","3273.7","0.3","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 B F2 N2 O4 Si -","- C36 H39 B F2 N2 O4 Si -","- C144 H156 B4 F8 N8 O16 Si4 -","4","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0741","0.0481","","","0.1143","0.1279","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030044","12.9614","0.0008","11.0262","0.0006","23.1458","0.0014","90","","104.62","0.003","90","","3200.8","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 B Cl F2 N2 O4 Si2 -","- C29 H38 B Cl F2 N2 O4 Si2 -","- C116 H152 B4 Cl4 F8 N8 O16 Si8 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.0616","0.0516","","","0.1379","0.1477","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030045","10.6213","0.0007","13.0001","0.0009","13.2633","0.0011","72.589","0.006","79.89","0.006","84.041","0.006","1717.8","0.2","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C33 H41 B F2 N2 O4 S Si2 -","- C33 H41 B F2 N2 O4 S Si2 -","- C66 H82 B2 F4 N4 O8 S2 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.2045","0.0758","","","0.1522","0.2031","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030046","16.5879","0.0018","9.039","0.001","16.4332","0.0017","90","","117.757","0.005","90","","2180.4","0.4","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","","Chen, Zhiyuan; Jia, Xuegong; Huang, Jiapian; Yuan, Jianjun","Platinum-Catalyzed Tandem Cycloisomerization Reaction of Benzoendiynyl Esters: Regioselective Long-Range 1,5-Acyl Migration.","The Journal of organic chemistry","2014","79","21","10674","","10.1021/jo5020245","","","0.71073","MoKα","","0.0488","0.0412","","","0.124","0.1369","","","","","","1.001","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030047","7.0302","0.0008","13.7455","0.0015","20.332","0.002","90","","99.113","0.005","90","","1940","0.4","165","","165","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","1.54178","CuKα","","0.0483","0.0451","","","0.1236","0.1269","","","","","","1.051","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030048","21.552","0.003","11.0789","0.0017","15.085","0.002","90","","90","","90","","3601.9","0.9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","x-ray","1.54178","CuKα","","0.0426","0.0412","","","0.113","0.1151","","","","","","1.074","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030049","9.5938","0.0004","36.4391","0.0015","15.7075","0.0007","90","","100.232","0.003","90","","5403.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 B S -","- C34 H33 B S -","- C272 H264 B8 S8 -","8","2","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","0.71073","MoKα","","0.1537","0.1137","","","0.226","0.2449","","","","","","1.122","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030050","22.992","0.003","5.808","0.0007","14.7738","0.0019","90","","92.558","0.01","90","","1970.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","0.71073","MoKα","","0.1428","0.081","","","0.1767","0.2066","","","","","","1.044","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030051","37.394","0.002","10.6766","0.0006","18.4173","0.001","90","","101.102","0.0017","90","","7215.3","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ClPhSi(ON[Ph]O)","2,4,8,10-Tetra-tert-butyl-6-chloro-6,12-diphenyl- 1H-dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C40 H50 Cl N O2 Si -","- C40 H50 Cl N O2 Si -","- C320 H400 Cl8 N8 O16 Si8 -","8","1","","Shekar, Sukesh; Brown, Seth N.","Mechanism and selectivity of methyl and phenyl migrations in hypervalent silylated iminoquinones.","The Journal of organic chemistry","2014","79","24","12047","12055","10.1021/jo501888r","","","0.71073","MoKα","","0.0414","0.0342","","","0.0938","0.1041","","","","","","1.051","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030052","7.3074","0.001","11.6936","0.0017","17.175","0.002","90","","99.165","0.005","90","","1448.9","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H46 N2 O Sn -","- C30 H46 N2 O Sn -","- C60 H92 N4 O2 Sn2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0774","0.0616","","","0.1457","0.1541","","","","","","1.088","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030053","8.665","0.003","8.399","0.002","10.277","0.003","90","","93.321","0.015","90","","746.7","0.4","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0465","0.0396","","","0.0921","0.0966","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030054","7.7111","0.0016","10.5325","0.0019","19.852","0.004","90","","90","","90","","1612.3","0.5","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0406","0.0369","","","0.0958","0.0996","","","","","","1.044","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030055","9.1608","0.0011","11.5859","0.0014","34.32","0.004","90","","90","","90","","3642.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 N2 O Si Sn -","- C34 H54.547 N2 O Si Sn -","- C136 H218.188 N8 O4 Si4 Sn4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0661","0.0565","","","0.13","0.1357","","","","","","1.09","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030056","9.6716","0.0003","10.1843","0.0003","10.2753","0.0004","76.912","0.002","74.616","0.002","66.048","0.002","883.67","0.05","296","2","293","2","","","","","","","","4","P -1","-P 1","2","6-methyl-4-phenyl-3-(phenylselanyl)-2H-chrome","","","- C22 H16 O2 Se -","- C22 H16 O2 Se -","- C44 H32 O4 Se2 -","2","1","","Mantovani, Anderson C.; Goulart, Tales A. C.; Back, Davi F.; Menezes, Paulo Henrique; Zeni, Gilson","Iron(III) Chloride and Diorganyl Diselenides-Mediated 6-endo-dig Cyclization of Arylpropiolates and Arylpropiolamides Leading to 3-Organoselenyl-2H-coumarins and 3-Organoselenyl-quinolinones.","The Journal of organic chemistry","2014","79","21","10526","","10.1021/jo502199q","","","0.71073","MoKα","","0.0425","0.0303","","","0.071","0.0761","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030057","9.3651","0.0005","9.5625","0.0005","11.0503","0.0006","71.447","0.002","67.341","0.003","65.481","0.002","815.96","0.08","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H18 -","- C25 H18 -","- C50 H36 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0689","0.0527","","","0.1391","0.1573","","","","","","1.049","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030058","9.3084","0.0004","9.4005","0.0004","10.9628","0.0005","73.841","0.003","65.703","0.003","68.117","0.003","802.42","0.07","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 S -","- C23 H16 S -","- C46 H32 S2 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0745","0.0509","","","0.1247","0.1396","","","","","","1.037","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030059","8.0397","0.0002","17.8239","0.0006","15.1921","0.0005","90","","104.068","0.0013","90","","2111.71","0.11","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.063","0.0477","","","0.125","0.1438","","","","","","1.092","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030060","10.4017","0.0006","9.8934","0.0005","20.6445","0.0012","90","","100.506","0.002","90","","2088.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21.3 F O2.15 -","- C27 H21.3 F O2.15 -","- C108 H85.2 F4 O8.6 -","4","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0683","0.049","","","0.1279","0.1486","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030061","7.7829","0.0004","11.0201","0.0006","13.5855","0.0008","66.136","0.003","76.156","0.003","73.462","0.003","1011.22","0.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C54 H44 O4 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0836","0.0586","","","0.1592","0.1867","","","","","","1.078","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030062","7.576","0.0005","18.9865","0.0012","25.0328","0.0016","90","","90","","90","","3600.8","0.4","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0805","0.0571","","","0.1412","0.1551","","","","","","1.036","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030063","9.296","0.0005","9.5612","0.0006","11.2173","0.0006","74.68","0.003","69.564","0.003","65.582","0.004","842.25","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H17 F -","- C25 H17 F -","- C50 H34 F2 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0677","0.0492","","","0.1293","0.148","","","","","","1.083","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030064","13.192","0.0005","15.3847","0.0006","19.337","0.0008","90","","101.634","0.0014","90","","3843.9","0.3","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 -","- C29 H20 -","- C232 H160 -","8","2","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.1316","0.0621","","","0.1575","0.2071","","","","","","1.041","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030065","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long","Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates.","The Journal of organic chemistry","2014","79","24","12010","12017","10.1021/jo5018712","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030066","9.4517","0.0012","23.239","0.003","9.965","0.0012","90","","116.056","0.003","90","","1966.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C88 H96 Br4 N4 O4 -","4","1","","Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long","Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates.","The Journal of organic chemistry","2014","79","24","12010","12017","10.1021/jo5018712","","","0.71073","MoKα","","0.0855","0.0591","","","0.148","0.1639","","","","","","1.043","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030067","11.469","0.002","17.517","0.004","9.5531","0.0019","90","","107.85","0.03","90","","1826.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C88 H68 Cl4 N8 -","4","1","","Zhang, Xinting; Kang, Jinfeng; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Oxidative C-N Bond Formation for Metal-Free One-Pot Synthesis of Di-, Tri-, and Tetrasubstituted Pyrazoles from α,β-Unsaturated Aldehydes/Ketones and Hydrazines.","The Journal of organic chemistry","2014","79","21","10170","","10.1021/jo501844x","","","0.71073","MoKα","","0.1155","0.0889","","","0.1876","0.2071","","","","","","1.205","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030068","6.9756","0.0014","9.91","0.002","10.42","0.002","113.94","0.03","92.53","0.03","92.22","0.03","656.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C32 H22 N6 -","2","1","","Zhang, Xinting; Kang, Jinfeng; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Oxidative C-N Bond Formation for Metal-Free One-Pot Synthesis of Di-, Tri-, and Tetrasubstituted Pyrazoles from α,β-Unsaturated Aldehydes/Ketones and Hydrazines.","The Journal of organic chemistry","2014","79","21","10170","","10.1021/jo501844x","","","0.71073","MoKα","","0.0745","0.0596","","","0.1584","0.1771","","","","","","1.105","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030069","8.2599","0.0017","15.387","0.003","9.958","0.002","90","","102.35","0.03","90","","1236.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 N O -","- C13 H14 F3 N O -","- C52 H56 F12 N4 O4 -","4","1","","Lin, Qing-Yu; Xu, Xiu-Hua; Qing, Feng-Ling","Chemo-, Regio-, and Stereoselective Trifluoromethylation of Styrenes via Visible Light-Driven Single-Electron Transfer (SET) and Triplet-Triplet Energy Transfer (TTET) Processes.","The Journal of organic chemistry","2014","79","21","10434","","10.1021/jo502040t","","","1.54178","CuKα","","0.057","0.055","","","0.1642","0.1671","","","","","","1.071","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030070","14.0334","0.0009","10.0587","0.0007","23.4532","0.0015","90","","90","","90","","3310.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C152 H152 N8 O16 S8 -","8","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0476","0.0365","","","0.0975","0.1043","","","","","","1.056","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030071","14.094","0.003","7.3935","0.0015","12.576","0.003","90","","90.653","0.004","90","","1310.4","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0987","0.0539","","","0.1076","0.1207","","","","","","1.155","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030072","5.262","0.006","16.416","0.019","13.074","0.015","90","","99.99","0.02","90","","1112","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N O S -","- C12 H13 N O S -","- C48 H52 N4 O4 S4 -","4","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0598","0.0537","","","0.1344","0.1403","","","","","","1.067","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030073","10.9164","0.0005","9.6918","0.0005","24.1102","0.0014","90","","90","","90","","2550.8","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C128 H96 N16 S8 -","8","2","","Omar, Mohamed A.; Frey, Wolfgang; Conrad, Jürgen; Beifuss, Uwe","Transition-Metal-Free Synthesis of Imidazo[2,1-b]thiazoles and Thiazolo[3,2-a]benzimidazoles via an S-Propargylation/5-exo-dig Cyclization/Isomerization Sequence Using Propargyl Tosylates as Substrates.","The Journal of organic chemistry","2014","79","21","10367","","10.1021/jo501980w","","","0.71073","MoKα","","0.052","0.0431","","","0.0939","0.097","","","","","","1.052","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030074","13.9906","0.0007","13.308","0.0006","20.9613","0.001","90","","97.6003","0.0007","90","","3868.4","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C90 H98 N2 Si2 -","- C90 H98 N2 Si2 -","- C180 H196 N4 Si4 -","2","1","","Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.","Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.","The Journal of organic chemistry","2014","79","21","10013","","10.1021/jo5016085","","","0.71073","MoKα","","0.0485","0.0362","","","0.0782","0.0841","","","","","","1.016","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030075","14.476","0.0004","15.868","0.0004","16.718","0.003","77.232","0.002","81.703","0.002","67.463","0.001","3451.7","0.6","173","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78.5 H71 Cl N2 O4 Si2 -","- C78.5 H71 Cl N2 O4 Si2 -","- C157 H142 Cl2 N4 O8 Si4 -","2","1","","Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.","Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.","The Journal of organic chemistry","2014","79","21","10013","","10.1021/jo5016085","","","0.71073","MoKα","","0.1178","0.0851","","","0.2266","0.2569","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030076","13.1252","0.0003","32.368","0.0008","41.4449","0.001","90","","95.42","0.001","90","","17528.6","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C205 H218 B12 Cl2 N12 -","- C205 H218 B12 Cl2 N12 -","- C820 H872 B48 Cl8 N48 -","4","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.154","0.092","","","0.2742","0.3106","","","","","","0.987","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030077","12.9576","0.0008","14.6324","0.0009","14.6459","0.0016","99.246","0.004","102.984","0.004","113.991","0.003","2371","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 N2 -","- C34 H28 N2 -","- C136 H112 N8 -","4","2","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.0731","0.0489","","","0.1201","0.1393","","","","","","1.028","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030078","7.5251","0.0001","12.265","0.0002","14.723","0.0003","81.826","0.001","83.455","0.001","83.827","0.001","1330.52","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H31 I N2 -","- C35 H31 I N2 -","- C70 H62 I2 N4 -","2","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.0375","0.0323","","","0.0804","0.0884","","","","","","1.085","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030079","8.271","0.0005","12.9503","0.0008","24.7661","0.0014","90","","99.143","0.004","90","","2619","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 B F4 N2 -","- C34 H29 B F4 N2 -","- C136 H116 B4 F16 N8 -","4","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.1042","0.057","","","0.1252","0.1649","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030080","6.6294","0.0001","9.4896","0.0001","16.8567","0.0002","93.802","0.001","98.632","0.001","100.149","0.001","1027.35","0.02","293","","293","","","","","","","","synthesized by the authors, see text","6","P -1","-P 1","2","","","","- C16 H30 N2 O3 S Si -","- C16 H30 N2 O3 S Si -","- C32 H60 N4 O6 S2 Si2 -","2","1","","Prévost, Michel; Dostie, Starr; Waltz, Marie-Ève; Guindon, Yvan","Investigation of Diastereoselective Acyclic α-Alkoxydithioacetal Substitutions Involving Thiacarbenium Intermediates.","The Journal of organic chemistry","2014","79","21","10504","","10.1021/jo502181a","","","1.54178","CuKα","","0.0682","0.0643","","0.2033","","0.1991","","","1.088","","","1.126","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030081","5.5811","0.0002","21.9839","0.0006","10.434","0.0003","90","","101.401","0.0014","90","","1254.93","0.07","200","2","200","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Prévost, Michel; Dostie, Starr; Waltz, Marie-Ève; Guindon, Yvan","Investigation of Diastereoselective Acyclic α-Alkoxydithioacetal Substitutions Involving Thiacarbenium Intermediates.","The Journal of organic chemistry","2014","79","21","10504","","10.1021/jo502181a","","","1.54178","CuKα","","0.0621","0.0363","","","0.0825","0.0905","","","","","","1.004","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030082","10.911","0.002","15.095","0.003","11.664","0.002","90","","113.3","0.03","90","","1764.4","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I N O2 S -","- C18 H20 I N O2 S -","- C72 H80 I4 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Li, Yue-Ming","Regioselective (Diacetoxyiodo)benzene-Promoted Halocyclization of Unfunctionalized Olefins.","The Journal of organic chemistry","2014","79","21","10094","","10.1021/jo501739j","","","0.71073","MoKα","","0.0421","0.0307","","","0.0738","0.0809","","","","","","0.973","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030083","9.0374","0.0005","9.8325","0.0007","11.6485","0.0006","65.718","0.006","83.584","0.004","73.059","0.005","902.53","0.11","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 N4 -","- C19 H26 N4 -","- C38 H52 N8 -","2","1","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.0723","0.0536","","","0.135","0.1508","","","","","","1.053","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030084","13.6356","0.0006","13.6874","0.0004","14.4188","0.0004","90.008","0.003","109.937","0.003","92.581","0.003","2526.87","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H71 Li3 N6 O3 -","- C54 H71 Li3 N6 O3 -","- C108 H142 Li6 N12 O6 -","2","1","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.0742","0.047","","","0.1026","0.1165","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030085","26.0414","0.0014","12.2934","0.0006","18.2926","0.0009","90","","128.911","0.005","90","","4556.8","0.5","100.02","0.15","100.02","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 Li2 N8 O2 -","- C46 H66 Li2 N8 O2 -","- C184 H264 Li8 N32 O8 -","4","0.5","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.064","0.0449","","","0.1024","0.1132","","","","","","1.033","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030086","9.57","0.002","14.501","0.003","16.059","0.003","115.824","0.008","92.346","0.01","93.969","0.01","1994.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-(2'-p-bromophenyl-2'-hydroxyiminoethyl)-5,5'-diethyldipyrromethane","","- C42 H43 Br2 N6 O2 -","- C42 H43 Br2 N6 O2 -","- C84 H86 Br4 N12 O4 -","2","1","","Nunes, Sandra C. C.; Lopes, Susana M. M.; Gomes, Clara S. B.; Lemos, Américo; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Reactions of Nitrosoalkenes with Dipyrromethanes and Pyrroles: Insight into the Mechanistic Pathway.","The Journal of organic chemistry","2014","79","21","10456","","10.1021/jo502095k","","x-ray","0.71073","MoKα","","0.1498","0.0562","","","0.0995","0.1297","","","","","","0.946","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030087","7.5819","0.0012","11.1103","0.0017","16.53","0.003","90","","95.621","0.01","90","","1385.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-bromophenyl)-3a,5-dimethyl- -3,3a,6,6a-tetrahydropyrrolo[3,2-b]pyrrole 1-oxide","","- C14 H17 Br N2 O2 -","- C14 H17 Br N2 O2 -","- C56 H68 Br4 N8 O8 -","4","1","","Nunes, Sandra C. C.; Lopes, Susana M. M.; Gomes, Clara S. B.; Lemos, Américo; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Reactions of Nitrosoalkenes with Dipyrromethanes and Pyrroles: Insight into the Mechanistic Pathway.","The Journal of organic chemistry","2014","79","21","10456","","10.1021/jo502095k","","x-ray","0.71073","MoKα","","0.1417","0.0608","","","0.0813","0.0915","","","","","","1.005","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030088","9.09","0.002","10.774","0.003","21.624","0.005","90","","90","","90","","2117.8","0.9","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C92 H108 N12 O8 -","4","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.029","0.0274","","","0.0692","0.0705","","","","","","1.073","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030089","9.8003","0.0005","17.4561","0.0009","10.0164","0.0005","90","","96.368","0.002","90","","1702.98","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N3 O2 -","- C16 H27 N3 O2 -","- C64 H108 N12 O8 -","4","2","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0279","0.0276","","","0.0688","0.069","","","","","","1.03","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030090","6.3049","0.0004","7.6994","0.0005","14.4602","0.0008","102.437","0.003","91.851","0.003","90.341","0.003","685.07","0.07","147","2","147","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","1","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0303","0.0301","","","0.0775","0.0776","","","","","","1.072","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030091","9.0471","0.0013","11.2646","0.0016","14.82","0.002","94.978","0.01","104.479","0.009","90.047","0.01","1456.5","0.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C72 H66 N6 O4 -","2","1","","Zhou, Lu-Jia; Zhang, Yu-Chen; Zhao, Jia-Jia; Shi, Feng; Tu, Shu-Jiang","Organocatalytic Arylation of 3-Indolylmethanols via Chemo- and Regiospecific C6-Functionalization of Indoles.","The Journal of organic chemistry","2014","79","21","10390","","10.1021/jo501989x","","","0.71073","MoKα","","0.1474","0.0826","","","0.2441","0.2873","","","","","","1.0897","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030092","6.232","0.003","10.854","0.005","12.929","0.008","65.452","0.016","88.269","0.01","89.109","0.012","795.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 F N4 -","- C20 H17 F N4 -","- C40 H34 F2 N8 -","2","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.2165","0.1003","","","0.2726","0.3539","","","","","","0.991","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030093","11.6449","0.0013","13.8787","0.0015","11.5724","0.0012","90","","96.172","0.006","90","","1859.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 -","- C20 H26 N4 -","- C80 H104 N16 -","4","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.0966","0.0497","","","0.1012","0.1184","","","","","","1.021","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030094","12.4646","0.0008","13.6468","0.0007","11.9725","0.0006","90","","93.606","0.004","90","","2032.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl N4 -","- C20 H25 Cl N4 -","- C80 H100 Cl4 N16 -","4","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.0541","0.0454","","","0.1236","0.1284","","","","","","1.068","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030095","5.8953","0.0003","23.8378","0.0009","10.0264","0.0004","90","","104.431","0.005","90","","1364.56","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(6R*,7R*)-4-methyl-7-phenyl-1-oxaspiro[5.5]undec-4-ene 30b","","- C17 H22 O -","- C17 H22 O -","- C68 H88 O4 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54184","CuKα","","0.073","0.0604","","","0.1558","0.1784","","","","","","1.111","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030096","7.8492","0.0003","16.3878","0.0006","10.0647","0.0004","90","","108.712","0.005","90","","1226.2","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methoxy-1,9-dimethyl-10-oxatricyclo[7.3.1.0]-trideca-2,4,6-triene","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54178","CuKα","","0.0882","0.0834","","","0.2106","0.2267","","","","","","1.051","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030097","8.5964","0.0017","17.998","0.004","8.9574","0.0018","90","","108.73","0.03","90","","1312.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-methyl-14-oxatetracyclo[11.3.1.0.0]heptadeca-2,4,6-triene","","- C17 H22 O -","- C17 H22 O -","- C68 H88 O4 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54184","CuKα","","0.0361","0.035","","","0.0968","0.0978","","","","","","1.048","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030098","12.0854","0.0005","11.5177","0.0005","24.1477","0.0011","90","","103.661","0.001","90","","3266.2","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H23 O2.5 Se -","- C16 H23 O2.5 Se -","- C128 H184 O20 Se8 -","8","4","","Orlov, Nikolay V.; Chistyakov, Igor V.; Khemchyan, Levon L.; Ananikov, Valentine P.; Beletskaya, Irina P.; Starikova, Zoya A.","Exclusive selectivity in the one-pot formation of C-C and C-se bonds involving ni-catalyzed alkyne hydroselenation: optimization of the synthetic procedure and a mechanistic study.","The Journal of organic chemistry","2014","79","24","12111","12121","10.1021/jo501953f","","","0.71073","MoKα","","0.0508","0.0363","","","0.0746","0.0799","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030099","14.9668","0.0005","10.1098","0.0004","22.2147","0.0009","90","","96.306","0.001","90","","3341","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","JJ-ad","","","- C33 H33 Br Cl N3 O -","- C33 H33 Br Cl N3 O -","- C132 H132 Br4 Cl4 N12 O4 -","4","2","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.11","0.062","","","0.182","0.2145","","","","","","0.995","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030100","15.4637","0.0009","7.0007","0.0004","17.5777","0.0009","90","","112.138","0.002","90","","1762.62","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dienamina HCl_LT","","","- C38 H39 Br Cl F3 N3 O4 -","- C38 H39 Br Cl F3 N3 O4 -","- C76 H78 Br2 Cl2 F6 N6 O8 -","2","1","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.1093","0.0933","","","0.2585","0.2695","","","","","","1.071","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030101","8.36","0.003","11.484","0.005","14.287","0.006","101.26","0.03","95.06","0.02","90.03","0.03","1339.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","DIPOLO HUMEDO","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","2","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.2391","0.1017","","","0.2109","0.2637","","","","","","1","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030102","24.8158","0.0008","8.449","0.0003","14.6172","0.0006","90","","90","","90","","3064.77","0.19","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","1","","Xu, Hongtao; Tang, Huanyu; Feng, Huijin; Li, Yuanchao","Divergent Total Synthesis of Triptolide, Triptonide, Tripdiolide, 16-Hydroxytriptolide, and Their Analogues.","The Journal of organic chemistry","2014","79","21","10110","","10.1021/jo501744j","","","0.71073","MoKα","","0.0545","0.0385","","","0.105","0.1122","","","","","","1.168","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030103","12.0634","0.0007","10.276","0.0006","12.846","0.0008","90","","114.159","0.002","90","","1452.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Xu, Hongtao; Tang, Huanyu; Feng, Huijin; Li, Yuanchao","Divergent Total Synthesis of Triptolide, Triptonide, Tripdiolide, 16-Hydroxytriptolide, and Their Analogues.","The Journal of organic chemistry","2014","79","21","10110","","10.1021/jo501744j","","","0.71073","MoKα","","0.0575","0.0454","","","0.1411","0.1499","","","","","","1.12","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030104","32.422","0.007","10.444","0.002","22.801","0.005","90","","123.04","0.03","90","","6472","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 Cl N2 O3 -","- C38 H27 Cl N2 O3 -","- C304 H216 Cl8 N16 O24 -","8","1","","Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie","Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation.","The Journal of organic chemistry","2014","79","21","10709","","10.1021/jo502106c","","","0.71073","MoKα","","0.1052","0.0776","","","0.1909","0.2083","","","","","","1.104","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030105","8.8451","0.0018","11.663","0.002","13.734","0.003","77.1","0.03","72.29","0.03","86.66","0.03","1315.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O4 -","- C33 H27 N O4 -","- C66 H54 N2 O8 -","2","1","","Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie","Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation.","The Journal of organic chemistry","2014","79","21","10709","","10.1021/jo502106c","","","0.71073","MoKα","","0.0858","0.0464","","","0.0987","0.1109","","","","","","1.022","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030106","8.7618","0.0011","28.36","0.004","8.9322","0.0011","90","","100.258","0.005","90","","2184","0.5","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O9 -","- C20 H32 O9 -","- C80 H128 O36 -","4","2","","Das, Soumendra Nath; Rana, Richa; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha; Mandal, Sukhendu B.","Ring-Closing Metathesis and Glycosylation Reactions: Synthesis and Biophysical Studies of Polyether-Linked Carbohydrate-Based Macrocyclic Nucleosides.","The Journal of organic chemistry","2014","79","21","9958","","10.1021/jo501857k","","","0.71073","MoKα","","0.0458","0.0392","","","0.0932","0.0978","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030107","6.9401","0.0003","11.7725","0.0006","14.9488","0.0006","90","","102.77","0.002","90","","1191.14","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S3 -","- C12 H6 N4 S3 -","- C48 H24 N16 S12 -","4","1","","Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas","Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.","The Journal of organic chemistry","2014","79","21","10179","","10.1021/jo501685t","","","0.71073","MoKα","","0.05","0.0374","","","0.095","0.1051","","","","","","1.063","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030108","8.274","0.002","11.141","0.003","12.659","0.004","90","","97.009","0.006","90","","1158.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S3 -","- C12 H6 N4 S3 -","- C48 H24 N16 S12 -","4","1","","Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas","Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.","The Journal of organic chemistry","2014","79","21","10179","","10.1021/jo501685t","","","0.71073","MoKα","","0.0895","0.0678","","","0.2003","0.2135","","","","","","1.099","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030109","10.1348","0.00019","17.309","0.0003","38.8028","0.0005","90","","90","","90","","6806.91","0.19","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H34 F N O9 S -","- C31 H34 F N O9 S -","- C248 H272 F8 N8 O72 S8 -","8","1","","Bai, Sha; Liao, Yuting; Lin, Lili; Luo, Weiwei; Liu, Xiaohua; Feng, Xiaoming","N,N'-Dioxide-Scandium(III)-Catalyzed Asymmetric Aza-Friedel-Crafts Reaction of Sesamol with Aldimines.","The Journal of organic chemistry","2014","79","21","10662","","10.1021/jo5020036","","x-ray","1.54184","CuKα","","0.0778","0.0714","","","0.1995","0.2123","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030110","18.321","0.01","7.322","0.004","14.433","0.008","90","","109.457","0.017","90","","1825.6","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Das, Uttam Kumar; Mandal, Subhajit; Anoop, Anakuthil; Bhattacharjee, Manish","Structure-Selectivity Relationship in Ruthenium-Catalyzed Regio- and Stereoselective Addition of Alkynes to Pyrazoles: An Experimental and Theoretical Investigation.","The Journal of organic chemistry","2014","79","21","9979","","10.1021/jo502151z","","","0.71073","MoKα","","0.2009","0.076","","","0.1563","0.2237","","","","","","1.043","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030111","10.4536","0.0003","11.9049","0.0003","22.4319","0.0006","90","","90","","90","","2791.63","0.13","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Cl N2 O5 -","- C32 H23 Cl N2 O5 -","- C128 H92 Cl4 N8 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","1.54184","CuKα","","0.0599","0.0476","","","0.1143","0.1233","","","","","","1.017","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030112","8.2432","0.0006","8.647","0.0006","28.4472","0.0016","90","","90","","90","","2027.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl O5 -","- C21 H18 Br Cl O5 -","- C84 H72 Br4 Cl4 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","0.71073","MoKα","","0.1117","0.0641","","","0.1455","0.163","","","","","","1.036","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030113","15.0974","0.0002","19.1605","0.0003","32.7141","0.0004","90","","90","","90","","9463.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N O5 -","- C38 H41 N O5 -","- C456 H492 N12 O60 -","12","3","","Szcześniak, Piotr; Stecko, Sebastian; Maziarz, Elżbieta; Staszewska-Krajewska, Olga; Furman, Bartłomiej","Synthesis of Polyhydroxylated Quinolizidine and Indolizidine Scaffolds from Sugar-Derived Lactams via a One-Pot Reduction/Mannich/Michael Sequence.","The Journal of organic chemistry","2014","79","21","10487","","10.1021/jo502146z","","","1.54184","CuKα","","0.0803","0.0763","","","0.2044","0.2119","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030114","5.1699","0.0001","7.3333","0.0002","11.1791","0.0002","90","","89.7378","0.0017","90","","423.822","0.016","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N O5 -","- C7 H15 N O5 -","- C14 H30 N2 O10 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0328","0.0327","","0.0832","0.0831","0.0832","","","","","","1.0184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030115","18.4924","0.0004","10.2023","0.0003","11.8598","0.0003","90","","100.565","0.002","90","","2199.6","0.1","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.029","0.0282","","0.0738","0.0732","0.0738","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030116","10.6486","0.0004","8.3141","0.0003","11.0574","0.0005","90","","105.074","0.0015","90","","945.26","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C38 H58 N2 O8 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","0.71073","MoKα","","0.0402","0.0325","","0.0746","0.0715","0.0746","","","","","","0.9781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030117","7.7876","0.0002","9.2123","0.0002","9.6509","0.0003","90","","107.017","0.003","90","","662.06","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0302","0.03","","0.0772","0.0771","0.0772","","","","","","1.0157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030118","8.9839","0.0003","9.0223","0.0005","9.7106","0.0003","90","","90","","90","","787.1","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","0.5","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0294","0.0289","","0.0774","0.0768","0.0774","","","","","","1.0192","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030119","25.9883","0.0007","25.9883","0.0007","5.81758","0.00017","90","","90","","120","","3402.74","0.16","150","","150","","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C135 H171 N9 O36 -","9","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.54184","CuKα","","0.0987","0.0899","","0.1243","0.1013","0.097","","","","","","1.1027","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030120","13.0557","0.0004","13.3816","0.0004","13.8875","0.0004","117.991","0.001","107.05","0.001","92.902","0.001","1996.69","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4-Dimethoxy-3-methyl-6,11,16,21-tetraphenyl- 24-thiabenziporphyrin","","- C52 H43 N2 O2 S -","- C49 H36 N2 O2 S -","- C98 H72 N4 O4 S2 -","2","1","","Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.","The Journal of organic chemistry","2014","79","22","11061","11074","10.1021/jo502063w","","","0.71073","MoKα","","0.0471","0.0418","","","","0.1207","","","","","","1.068","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030121","12.952","0.005","23.282","0.009","13.42","0.005","90","","108.926","0.008","90","","3828","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-Methoxy-6,11,16,21-tetraphenyl-24-thiaoxybenziporphyrinato]palladium(II)","","- C48 H31 Cl3 N2 O2 Pd S -","- C48 H31 Cl3 N2 O2 Pd S -","- C192 H124 Cl12 N8 O8 Pd4 S4 -","4","1","","Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.","The Journal of organic chemistry","2014","79","22","11061","11074","10.1021/jo502063w","","","0.71073","MoKα","","0.1765","0.0611","","","","0.1408","","","","","","0.968","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030122","10.5808","0.0005","10.1713","0.0004","19.4113","0.0008","90","","92.635","0.004","90","","2086.84","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br N O5 S -","- C21 H22 Br N O5 S -","- C84 H88 Br4 N4 O20 S4 -","4","1","","Wu, Lijun; Huang, Hui; Liang, Yun; Cheng, Pi","Regio- and stereoselective synthesis of 2-amino-dienes via decarboxylative amination of 4-(ethoxycarbonyl)-2,3-allenols by TsNCO.","The Journal of organic chemistry","2014","79","22","11264","11269","10.1021/jo502098b","","","0.71073","MoKα","","0.0594","0.0387","","","0.0775","0.0867","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030123","9.0976","0.0018","9.3489","0.0019","18.199","0.004","90","","90","","90","","1547.9","0.6","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.0369","0.0316","","","0.0803","0.084","","","","","","1.053","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030124","9.3395","0.0019","9.881","0.002","11.877","0.002","90","","101.85","0.03","90","","1072.7","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O5 -","- C22 H28 N2 O5 -","- C44 H56 N4 O10 -","2","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.1065","0.0754","","","0.1916","0.216","","","","","","1.025","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030125","11.0691","0.0016","11.0691","0.0016","54.673","0.011","90","","90","","90","","6698.8","1.9","297","","297","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","2","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","1.54178","CuKα","","0.1554","0.0828","","","0.1904","0.2797","","","","","","1.121","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030126","6.9323","0.0002","15.4032","0.0005","14.774","0.0005","90","","93.929","0.001","90","","1573.85","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Sarraf, Daad; Richy, Nicolas; Vidal, Joëlle","Synthesis of lactams by isomerization of oxindoles substituted at C-3 by an ω-amino chain.","The Journal of organic chemistry","2014","79","22","10945","10955","10.1021/jo501978j","","x-ray","0.71073","MoKα","","0.051","0.0415","","","0.1064","0.1139","","","","","","1.036","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030127","9.554","0.01","11.029","0.012","12.179","0.013","91.515","0.012","100.99","0.011","115.566","0.012","1128","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N2 O6 -","- C24 H21 Cl N2 O6 -","- C48 H42 Cl2 N4 O12 -","2","1","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0576","0.044","","","0.1211","0.1358","","","","","","1.129","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030128","12.287","0.009","14.357","0.011","14.46","0.011","70.247","0.009","68.697","0.008","71.843","0.008","2184","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl2 N O4 -","- C23 H21 Cl2 N O4 -","- C92 H84 Cl8 N4 O16 -","4","2","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0919","0.0701","","","0.1842","0.2048","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030129","9.411","0.004","11.214","0.005","15.479","0.007","90","","98.632","0.005","90","","1615.1","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N O4 -","- C17 H16 Cl N O4 -","- C68 H64 Cl4 N4 O16 -","4","1","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0462","0.0389","","","0.0975","0.1036","","","","","","1.044","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030130","7.986","0.005","19.283","0.013","10.936","0.009","90","","96.99","0.03","90","","1672","2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Zhang, Yan-Jing; Hou, Qi-Lan; Wang, Hai-Jing; Liao, Wei-Wei","Lewis base-promoted rearrangement of allylic cyanohydrins: construction of functionalized nitriles bearing 1,3-diketone moieties.","The Journal of organic chemistry","2014","79","22","10890","10898","10.1021/jo501909w","","","0.71073","MoKα","","0.0362","0.0333","","","0.0803","0.0816","","","","","","1.033","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030131","10.252","0.0008","10.6251","0.0009","13.0929","0.0011","90.313","0.001","111.307","0.002","107.904","0.002","1253.27","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 Cl N4 -","- C32 H27 Cl N4 -","- C64 H54 Cl2 N8 -","2","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.1371","0.0767","","","0.1634","0.1803","","","","","","1.082","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030132","8.0316","0.0008","9.266","0.0009","9.7678","0.0007","110.117","0.001","113.018","0.002","94.668","0.001","608.32","0.1","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","1","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.0764","0.0563","","","0.1329","0.1443","","","","","","1.013","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030133","10.1833","0.0008","11.2946","0.0009","12.4239","0.0011","102.068","0.002","91.225","0.001","91.272","0.001","1396.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N6 O2 -","- C34 H28 N6 O2 -","- C68 H56 N12 O4 -","2","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.1819","0.0637","","","0.0936","0.1105","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030135","13.7987","0.0016","11.0811","0.0013","10.9368","0.0012","90","","98.595","0.005","90","","1653.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.0435","0.0407","","","0.107","0.11","","","","","","1.038","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030136","7.4392","0.0002","21.5625","0.0006","10.4467","0.0003","90","","101.744","0.001","90","","1640.65","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.0412","0.0403","","","0.1096","0.1106","","","","","","1.005","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030137","8.0631","0.0002","6.911","0.0002","12.3303","0.0003","90","","92.691","0.001","90","","686.34","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N O2 -","- C17 H18 N O2 -","- C34 H36 N2 O4 -","2","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.044","0.0424","","","0.1187","0.1212","","","","","","1.05","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030138","11.6609","0.0012","12.215","0.0013","12.4769","0.0013","94.292","0.004","111.107","0.003","104.547","0.004","1577.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H86 N28 O26 -","- C50 H70 N28 O26 -","- C50 H70 N28 O26 -","1","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0917","0.0679","","","0.2144","0.2481","","","","","","1.039","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030139","12.297","0.0016","12.3805","0.0009","12.5907","0.0009","118.978","0.003","95.084","0.004","104.624","0.004","1571.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H82 N28 O28 -","- C46 H54 N28 O28 -","- C46 H54 N28 O28 -","1","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.1023","0.0828","","","0.2471","0.2764","","","","","","1.032","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030140","21.163","0.004","14.201","0.002","20.285","0.003","90","","107.442","0.005","90","","5816.1","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H74 N28 O26 -","- C44 H58 N28 O26 -","- C176 H232 N112 O104 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.1152","0.0899","","","0.2742","0.314","","","","","","1.034","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030141","12.3509","0.0018","12.4048","0.0019","21.735","0.003","104.345","0.005","97.559","0.005","93.494","0.005","3183","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H86 N28 O28 -","- C48 H66 N28 O28 -","- C96 H132 N56 O56 -","2","1","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0972","0.062","","","0.1802","0.2163","","","","","","1.022","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030142","22.652","0.006","11.965","0.003","23.937","0.007","90","","90","","90","","6488","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H78 N28 O30 -","- C42 H54 N26 O24 -","- C168 H216 N104 O96 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0831","0.0582","","","0.1795","0.1968","","","","","","1.018","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030143","15.775","0.005","22.923","0.005","12.27","0.005","99.919","0.005","111.026","0.005","81.18","0.005","4059","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H120 O16 -","- C84 H120 O16 -","- C168 H240 O32 -","2","1","","Ghirga, Francesca; Quaglio, Deborah; Iovine, Valentina; Botta, Bruno; Pierini, Marco; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; D'Acquarica, Ilaria","Synthesis of a double-spanned resorc[4]arene via ring-closing metathesis and calculation of aggregation propensity.","The Journal of organic chemistry","2014","79","22","11051","11060","10.1021/jo502056v","","","1.54178","CuKα","","0.1983","0.0685","","","0.1854","0.1927","","","","","","0.799","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030145","10.8941","0.0013","19.949","0.002","11.7899","0.0014","90","","94.385","0.002","90","","2554.8","0.5","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","compound 6","","","- C31 H20 F3 N3 O -","- C31 H20 F3 N3 O -","- C124 H80 F12 N12 O4 -","4","2","","Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea","Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.","The Journal of organic chemistry","2014","79","22","11039","11050","10.1021/jo502047n","","","0.71073","MoKα","","0.0741","0.0471","","","0.0884","0.0996","","","","","","1.065","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030146","8.659","0.003","10.157","0.004","14.308","0.005","97.338","0.004","94.911","0.004","107.3","0.004","1181.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","compound 3","","","- C29 H22 F3 N3 O -","- C29 H22 F3 N3 O -","- C58 H44 F6 N6 O2 -","2","1","","Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea","Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.","The Journal of organic chemistry","2014","79","22","11039","11050","10.1021/jo502047n","","","0.71073","MoKα","","0.1012","0.0513","","","0.1233","0.1527","","","","","","0.982","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030147","8.467","0.001","14.563","0.001","20.469","0.004","90","","91.636","0.001","90","","2522.9","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl F N O2 P -","- C30 H24 Cl F N O2 P -","- C120 H96 Cl4 F4 N4 O8 P4 -","4","2","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1609","0.0617","","","0.0923","0.1151","","","","","","1.002","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030148","11.54","0.002","14.08","0.007","16.285","0.003","90","","90","","90","","2646","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 N O2 P -","- C30 H24 Cl2 N O2 P -","- C120 H96 Cl8 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1162","0.0642","","","0.1489","0.1778","","","","","","1.016","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030149","11.5133","0.0006","14.2627","0.0016","16.305","0.003","90","","90","","90","","2677.5","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br Cl N O2 P -","- C30 H24 Br Cl N O2 P -","- C120 H96 Br4 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1727","0.0677","","","0.1072","0.1425","","","","","","1.01","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030150","12.5547","0.0017","9.004","0.003","22.0651","0.0014","90","","90","","90","","2494.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl N O2 P -","- C30 H25 Cl N O2 P -","- C120 H100 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1249","0.0543","","","0.115","0.1497","","","","","","1.057","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030151","8.2377","0.0002","12.7351","0.0004","38.5075","0.001","90","","90","","90","","4039.74","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0849","0.0455","","","0.113","0.1238","","","","","","0.913","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030152","12.6491","0.0002","7.4042","0.0001","16.8171","0.0003","90","","101.056","0.001","90","","1545.8","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C35 H40 O7 -","- C35 H40 O7 -","- C70 H80 O14 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0271","0.0263","","","0.0665","0.0673","","","","","","1.069","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030155","5.8502","0.0007","11.47","0.0014","26.509","0.003","90","","90","","90","","1778.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C84 H72 Br4 N4 O4 -","4","1","","Ren, Yuan-Yuan; Wang, You-Qing; Liu, Shuang","Asymmetric alkynylation of seven-membered cyclic imines by combining chiral phosphoric acids and Ag(I) catalysts: synthesis of 11-substituted-10,11-dihydrodibenzo[b,f][1,4]oxazepine derivatives.","The Journal of organic chemistry","2014","79","23","11759","11767","10.1021/jo5022037","","","0.71073","MoKα","","0.0639","0.0397","","","0.0828","0.0908","","","","","","0.993","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030156","7.966","0.01","17.26","0.03","12.842","0.02","90","","94.67","0.03","90","","1760","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0956","0.0516","","","0.118","0.1326","","","","","","1.158","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030157","7.942","0.008","17.973","0.016","10.869","0.01","90","","106.5","0.03","90","","1488","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0509","0.039","","","0.0985","0.105","","","","","","1.039","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030158","16.2047","0.0018","9.6713","0.0015","11.584","0.0013","90","","108.758","0.009","90","","1719","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H16 N O5 -","- C76 H64 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.1405","0.0812","","","0.1643","0.1885","","","","","","1.566","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030159","23.22","0.007","6.4634","0.0018","14.462","0.004","90","","94.873","0.009","90","","2162.6","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0715","0.0634","","","0.1398","0.1429","","","","","","1.722","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030160","9.9202","0.0005","11.6625","0.0006","15.0194","0.0008","111.87","0.003","97.172","0.003","103.982","0.003","1519.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20.65 N O5.32 -","- C15 H15 N O5.332 -","- C60 H60 N4 O21.328 -","4","2","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0869","0.0666","","","0.1942","0.2084","","","","","","1.157","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030161","17.2369","0.0013","7.8216","0.0007","14.1194","0.0012","90","","104.169","0.004","90","","1845.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C64 H88 Cl8 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0631","0.0495","","","0.1337","0.1405","","","","","","1.082","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030162","8.7313","0.0004","10.5992","0.0005","10.6362","0.0005","60.424","0.002","74.354","0.003","71.334","0.003","803.55","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N3 O5 -","- C15 H21 N3 O5 -","- C30 H42 N6 O10 -","2","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0533","0.0464","","","0.1194","0.1253","","","","","","1.036","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030163","14.035","0.003","9.2967","0.0016","12.787","0.002","90","","93.461","0.011","90","","1665.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0543","0.0413","","","0.0827","0.0846","","","","","","1.994","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030164","13.287","0.008","10.538","0.007","14.009","0.01","90","","101.32","0.017","90","","1923","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0524","0.0398","","","0.0867","0.0897","","","","","","1.646","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030165","7.5487","0.0013","13.271","0.003","16.861","0.005","90","","90","","90","","1689.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0701","0.049","","","0.104","0.113","","","","","","0.998","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030166","19.694","0.01","13.615","0.006","5.587","0.003","90","","90","","90","","1498.1","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C60 H84 N12 O16 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.1153","0.0845","","","0.1866","0.1958","","","","","","1.6","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030167","7.425","0.002","29.523","0.007","8.348","0.002","90","","107.871","0.004","90","","1741.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Xu, Changming; Zhang, Long; Luo, Sanzhong","Asymmetric enamine catalysis with β-ketoesters by chiral primary amine: divergent stereocontrol modes.","The Journal of organic chemistry","2014","79","23","11517","11526","10.1021/jo502152w","","","0.71073","MoKα","","0.0422","0.0392","","","0.0802","0.0831","","","","","","1.075","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030168","11.2411","0.0007","7.7513","0.0005","19.5834","0.0012","90","","103.11","0.0017","90","","1661.89","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-chlorophenyl)-3-(3-nitrophenyl)-1<i>H</i>-pyrrole-2- carboxylate","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","","Imbri, Dennis; Netz, Natalie; Kucukdisli, Murat; Kammer, Lisa Marie; Jung, Philipp; Kretzschmann, Annika; Opatz, Till","One-pot synthesis of pyrrole-2-carboxylates and -carboxamides via an electrocyclization/oxidation sequence.","The Journal of organic chemistry","2014","79","23","11750","11758","10.1021/jo5021823","","","0.71073","MoKα","","0.0431","0.0337","","","0.0844","0.0906","","","","","","1.021","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030169","11.7244","0.0009","13.1147","0.001","13.1273","0.0011","80.454","0.007","84.455","0.006","76.543","0.006","1932.3","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-<i>N</i>-(2-methylpropyl)- 1<i>H</i>-pyrrole-2-carboxamide","","- C22 H23 F N2 O2 -","- C22 H23 F N2 O2 -","- C88 H92 F4 N8 O8 -","4","2","","Imbri, Dennis; Netz, Natalie; Kucukdisli, Murat; Kammer, Lisa Marie; Jung, Philipp; Kretzschmann, Annika; Opatz, Till","One-pot synthesis of pyrrole-2-carboxylates and -carboxamides via an electrocyclization/oxidation sequence.","The Journal of organic chemistry","2014","79","23","11750","11758","10.1021/jo5021823","","","0.71073","MoKα","","0.084","0.0492","","","0.1236","0.1394","","","","","","1.027","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030170","32.745","0.007","6.2347","0.0012","17.488","0.004","90","","96.92","0.03","90","","3544.3","1.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C176 H128 Cl8 N8 O16 -","8","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.0547","0.0479","","","0.1391","0.1475","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030171","9.953","0.002","12.581","0.003","15.107","0.003","90.32","0.03","97.35","0.03","99.51","0.03","1849.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","2","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.1286","0.0587","","","0.1308","0.1589","","","","","","1.014","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030172","8.4145","0.0017","8.9482","0.0018","17.838","0.004","90","","102.12","0.03","90","","1313.2","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.0635","0.0494","","","0.127","0.1388","","","","","","1.01","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030173","11.395","0.002","8.4405","0.0017","16.714","0.003","90","","91.37","0.03","90","","1607.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.069","0.0511","","","0.1316","0.1426","","","","","","1.082","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030174","11.536","0.002","13.186","0.002","18.136","0.003","96.984","0.005","100.355","0.005","99.64","0.005","2642.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl2 Cu N15 O16 -","- C46 H50 Cl2 Cu N15 O16 -","- C92 H100 Cl4 Cu2 N30 O32 -","2","1","","Saha, Subrata; Santra, Saikat; Akhuli, Bidyut; Ghosh, Pradyut","[2]Rotaxane with multiple functional groups.","The Journal of organic chemistry","2014","79","22","11170","11178","10.1021/jo502235z","","","0.71073","MoKα","","0.0664","0.0563","","","0.1594","0.1693","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030175","23.049","0.005","7.2946","0.0015","20.98","0.004","90","","99.77","0.03","90","","3476.3","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 F3 N2 O S -","- C19 H15 F3 N2 O S -","- C152 H120 F24 N16 O8 S8 -","8","1","","Wang, Yang; Zhao, Fei; Chi, Yue; Zhang, Wen-Xiong; Xi, Zhenfeng","Substituent-controlled selective synthesis of N-acyl 2-aminothiazoles by intramolecular Zwitterion-mediated C-N bond cleavage.","The Journal of organic chemistry","2014","79","22","11146","11154","10.1021/jo502123k","","","0.71073","MoKα","","0.0957","0.0439","","","0.0583","0.0613","","","","","","0.928","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030200","24.266","0.017","5.72","0.004","13.017","0.01","90","","120.428","0.01","90","","1558","2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.1849","0.0749","","","0.1801","0.2653","","","","","","1.007","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030201","3.8405","0.0002","16.0573","0.0009","25.5787","0.0012","90","","90","","90","","1577.39","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.0473","0.0407","","","0.1086","0.1118","","","","","","1.005","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030202","19.728","0.005","12.427","0.006","17.19","0.005","90","","124.311","0.018","90","","3481","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl N4 -","- C21 H13 Cl N4 -","- C168 H104 Cl8 N32 -","8","1","","Zhang, Lei; Zheng, Liyao; Guo, Biao; Hua, Ruimao","One-pot synthesis of multisubstituted 2-aminoquinolines from annulation of 1-aryl tetrazoles with internal alkynes via double C-H activation and denitrogenation.","The Journal of organic chemistry","2014","79","23","11541","11548","10.1021/jo502192b","","","0.71073","MoKα","","0.0779","0.0463","","","0.082","0.0956","","","","","","1.07","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030203","9.362","0.003","9.812","0.003","14.178","0.005","90","","97.93","0.04","90","","1289.9","0.7","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Zhang, Lei; Zheng, Liyao; Guo, Biao; Hua, Ruimao","One-pot synthesis of multisubstituted 2-aminoquinolines from annulation of 1-aryl tetrazoles with internal alkynes via double C-H activation and denitrogenation.","The Journal of organic chemistry","2014","79","23","11541","11548","10.1021/jo502192b","","","0.71073","MoKα","","0.071","0.043","","","0.0866","0.0974","","","","","","1.048","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030204","9.5249","0.001","10.3261","0.0011","16.1226","0.0017","77.226","0.002","82.154","0.002","69.713","0.002","1447.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","1a in manuscript","","","- C40 H30 -","- C40 H30 -","- C80 H60 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0768","0.0511","","","0.1129","0.1319","","","","","","1.041","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030205","14.6419","0.0006","15.164","0.0006","17.0369","0.0007","90","","111.209","0.001","90","","3526.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2a in manuscript","","","- C46 H42 -","- C46 H42 -","- C184 H168 -","4","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0838","0.0497","","","0.112","0.129","","","","","","1.016","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030206","13.3327","0.0013","14.1261","0.0013","22.859","0.002","80.065","0.003","79.996","0.003","65.861","0.003","3844.3","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3a in manuscript","","","- C46.25 H42 Cl0.28 O6.12 -","- C46.258 H42 Cl0.2705 O6.1225 -","- C185.032 H168 Cl1.082 O24.49 -","4","2","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.1721","0.0899","","","0.1538","0.175","","","","","","1.044","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030207","10.1649","0.0006","14.5991","0.0009","19.9342","0.0012","98.273","0.002","104.589","0.002","97.525","0.002","2789.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","1b in manuscript","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","2","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0754","0.0481","","","0.0992","0.1173","","","","","","1.062","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030208","9.8747","0.0009","11.2191","0.001","17.2403","0.0015","103.764","0.002","97.167","0.003","109.021","0.002","1710.7","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","2b in manuscript","","","- C46 H42 -","- C46 H42 -","- C92 H84 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.1195","0.063","","","0.1382","0.1633","","","","","","1.047","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030209","9.6352","0.0005","11.5649","0.0007","18.7317","0.0011","97.6701","0.0014","103.632","0.0013","111.834","0.0013","1825.52","0.18","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3b in manuscript","","","- C46 H42 O6 -","- C46 H42 O6 -","- C92 H84 O12 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0744","0.0482","","","0.1061","0.1196","","","","","","1.02","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030210","5.5979","0.0009","16.633","0.0016","8.6913","0.0007","90","","101.74","0.011","90","","792.32","0.16","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C38 H32 Br2 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","1.54184","CuKα","","0.0327","0.0313","","","0.0798","0.0823","","","","","","1.044","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030211","7.9007","0.0016","10.334","0.002","8.6158","0.0017","90","","111.72","0.03","90","","653.5","0.3","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","0.71073","MoKα","","0.0465","0.0422","","","0.0991","0.1025","","","","","","1.087","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030212","9.5719","0.0007","8.5121","0.0007","17.2444","0.0013","90","","97.11","0.006","90","","1394.22","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0788","0.0459","","","0.0956","0.108","","","","","","1.004","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030213","10.091","0.0006","14.27","0.0008","16.4485","0.0009","64.623","0.003","72.52","0.004","80.615","0.003","2039.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C104 H104 O12 -","4","2","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0857","0.0456","","","0.1012","0.1193","","","","","","1.014","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030214","12.1767","0.0004","7.0864","0.0002","18.9922","0.0009","90","","105.033","0.003","90","","1582.73","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O2 -","- C19 H24 O2 -","- C76 H96 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0576","0.052","","","0.1473","0.1551","","","","","","0.938","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030215","14.5496","0.0007","7.1138","0.0003","17.4167","0.0009","90","","99.946","0.003","90","","1775.59","0.15","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0752","0.0583","","","0.1625","0.1855","","","","","","1.102","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030216","11.1013","0.0003","8.4844","0.0002","15.9687","0.0005","90","","95.724","0.002","90","","1496.56","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.045","0.0381","","","0.092","0.0972","","","","","","1.042","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030217","5.9783","0.0011","7.2121","0.0011","13.006","0.003","77.36","0.007","79.561","0.007","89.748","0.008","537.76","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 Cl O2 -","- C11 H17 Cl O2 -","- C22 H34 Cl2 O4 -","2","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0403","0.0362","","","0.0993","0.1079","","","","","","1.123","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030218","7.3582","0.0002","10.2308","0.0003","10.3868","0.0004","95.5","0.002","97.251","0.002","101.113","0.001","755.3","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0936","0.0647","","","0.1919","0.2211","","","","","","1.036","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030219","8.836","0.002","6.0632","0.0019","16.037","0.005","90","","100.167","0.007","90","","845.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C30 H56 N4 O10 -","2","1","","Sánchez-Fernández, Elena M; Álvarez, Eleuterio; Ortiz Mellet, Carmen; García Fernández, José M","Synthesis of multibranched australine derivatives from reducing castanospermine analogues through the Amadori rearrangement of gem-diamine intermediates: selective inhibitors of β-glucosidase.","The Journal of organic chemistry","2014","79","23","11722","11728","10.1021/jo5025283","","","0.71073","MoKα","","0.0689","0.0513","","","0.1319","0.1718","","","","","","1.096","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030220","18.6028","0.0008","19.681","0.0009","19.8332","0.0008","114.23","0.002","101.248","0.002","94.91","0.002","6382.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","compound 13","","- C74.5 H65 O8.25 -","- C74.5 H65 O8.25 -","- C298 H260 O33 -","4","2","","Schwenger, Alexander; Gerlach, Claudia; Griesser, Helmut; Richert, Clemens","Synthesis of eight-arm, branched oligonucleotide hybrids and studies on the limits of DNA-driven assembly.","The Journal of organic chemistry","2014","79","23","11558","11566","10.1021/jo5022053","","","1.54178","CuKα","","0.1014","0.0828","","","0.2096","0.2204","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030221","15.83","0.002","5.1326","0.0007","17.275","0.002","90","","107.501","0.002","90","","1338.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 N O3 -","- C15 H11 F2 N O3 -","- C60 H44 F8 N4 O12 -","4","1","","Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.","Synthesis of gem-difluorinated nitroso compounds.","The Journal of organic chemistry","2014","79","23","11819","11823","10.1021/jo5023537","","","0.71073","MoKα","","0.0769","0.0459","","","0.1071","0.1212","","","","","","1.054","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030222","8.5372","0.0006","10.4431","0.0007","12.236","0.0008","81.804","0.001","69.686","0.001","82.905","0.001","1009.37","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 F2 N O4 -","- C24 H19 F2 N O4 -","- C48 H38 F4 N2 O8 -","2","1","","Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.","Synthesis of gem-difluorinated nitroso compounds.","The Journal of organic chemistry","2014","79","23","11819","11823","10.1021/jo5023537","","","0.71073","MoKα","","0.0649","0.045","","","0.0969","0.1073","","","","","","1.017","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030223","22.0688","0.0004","6.4813","0.0001","25.2718","0.0005","90","","104.499","0.0008","90","","3499.62","0.11","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C160 H176 N16 O32 -","8","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.045","0.0377","","0.1","0.0952","0.1","","","","","","0.9978","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030224","5.2895","0.0003","25.359","0.002","15.0712","0.0011","90","","98.909","0.005","90","","1997.2","0.2","200","","200","","","","","","","","local","3","C 1 c 1","C -2yc","9","","","","- C22 H24 O8 -","- C22 H24 O8 -","- C88 H96 O32 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0657","0.0465","","0.1134","0.1014","0.1134","","","","","","0.9787","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030225","4.4393","0.0001","7.7069","0.0002","19.5385","0.0005","90","","94.3771","0.0017","90","","666.53","0.03","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","0.5","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.046","0.0382","","0.0965","0.0925","0.0965","","","","","","0.9746","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030226","13.1801","0.0006","11.6477","0.0005","13.9929","0.0005","90","","90.152","0.003","90","","2148.15","0.15","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0927","0.0534","","0.1366","0.1167","0.1366","","","","","","0.9606","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030227","13.4959","0.0002","7.435","0.0001","24.6097","0.0003","90","","93.1287","0.0008","90","","2465.71","0.06","200","","200","","","","","","","","local","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 -","- C34 H28 -","- C136 H112 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.081","0.0583","","0.1532","0.1392","0.1532","","","","","","0.9678","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030228","7.4676","0.0002","6.9456","0.0001","17.1815","0.0004","90","","102.013","0.0011","90","","871.64","0.03","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0324","0.0304","","0.0816","0.0802","0.0816","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030229","10.3961","0.0002","15.5192","0.0005","16.774","0.0004","90","","91.4837","0.0016","90","","2705.4","0.12","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 O12 -","- C28 H30 O12 -","- C112 H120 O48 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0839","0.0523","","0.1324","0.1174","0.1324","","","","","","0.9748","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030230","18.4241","0.0007","12.7737","0.0005","20.9954","0.0005","90","","113.385","0.002","90","","4535.3","0.3","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C22 H44 Si4 -","- C22 H44 Si4 -","- C132 H264 Si24 -","6","3","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.1332","0.0914","","0.2986","0.239","0.2986","","","","","","0.9832","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030233","7.699","0.005","28.969","0.013","8.335","0.005","90","","110.23","0.02","90","","1744.3","1.7","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C88 H64 N8 O4 S4 -","4","1","","Iwasaki, Masayuki; Kaneshika, Wataru; Tsuchiya, Yuta; Nakajima, Kiyohiko; Nishihara, Yasushi","Palladium-catalyzed peri-selective chalcogenation of naphthylamines with diaryl disulfides and diselenides via C-H bond cleavage.","The Journal of organic chemistry","2014","79","23","11330","11338","10.1021/jo502274t","","","0.71075","MoKa","","0.0922","0.0589","","","0.149","0.1712","","","","","","1.042","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030234","12.037","0.0009","12.9351","0.0009","23.784","0.0018","90","","103.709","0.003","90","","3597.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 Cl N O10 -","- C38 H45 Cl N O10 -","- C152 H180 Cl4 N4 O40 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1604","0.0704","","","0.1029","0.1212","","","","","","0.973","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030235","11.431","0.0011","11.6678","0.0011","14.7274","0.0014","104.737","0.002","95.77","0.002","114.086","0.002","1687.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H46 Br2 N2 O9 -","- C31 H46 Br2 N2 O9 -","- C62 H92 Br4 N4 O18 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.0947","0.0593","","","0.1646","0.1786","","","","","","1.038","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030236","11.425","0.003","11.981","0.003","12.65","0.003","101.734","0.011","99.896","0.012","109.094","0.011","1548","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Cl2 N2 O14 -","- C29 H38 Cl2 N2 O14 -","- C58 H76 Cl4 N4 O28 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.2691","0.1233","","","0.2798","0.3272","","","","","","0.925","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030237","35.487","0.002","9.7899","0.0006","18.4307","0.0012","90","","112.139","0.002","90","","5931","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 Br2 N2 O9 -","- C25 H42 Br2 N2 O9 -","- C200 H336 Br16 N16 O72 -","8","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1183","0.0555","","","0.1303","0.1474","","","","","","0.993","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030238","35.2762","0.0012","9.8049","0.0003","18.5204","0.0008","90","","112.254","0.002","90","","5928.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 Br4 N4 O18 -","- C50 H76 Br4 N4 O18 -","- C200 H304 Br16 N16 O72 -","4","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1511","0.0846","","","0.2391","0.2657","","","","","","0.996","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030239","10.316","0.002","15.932","0.003","18.45","0.003","90","","101.066","0.007","90","","2976","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl2 N2 O14 -","- C25 H36 Cl2 N2 O14 -","- C100 H144 Cl8 N8 O56 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1856","0.0743","","","0.1736","0.2055","","","","","","0.945","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030240","10.8853","0.0003","16.0031","0.0004","17.3331","0.0005","90","","101.216","0.001","90","","2961.73","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Cl4 N4 O28 -","- C50 H72 Cl4 N4 O28 -","- C100 H144 Cl8 N8 O56 -","2","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1016","0.0643","","","0.157","0.1733","","","","","","1.007","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030241","11.1348","0.0005","9.607","0.0004","16.2013","0.0007","90","","109.239","0.0017","90","","1636.29","0.12","230","2","230","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","lk96624","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Kersten, Laura; Harms, Klaus; Hilt, Gerhard","Synthesis of tri-, tetra-, and pentacarbonyl derivatives via ozonolysis of 1,4-dienes and cyclization to polyaromatic systems.","The Journal of organic chemistry","2014","79","23","11661","11673","10.1021/jo502308d","","","0.71073","MoKα","","0.072","0.0463","","","0.1098","0.1236","","","","","","1.029","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030242","18.1968","0.0012","18.4667","0.0011","17.8241","0.0012","90","","107.936","0.002","90","","5698.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 O6 -","- C38 H34 O6 -","- C304 H272 O48 -","8","1","","Kersten, Laura; Harms, Klaus; Hilt, Gerhard","Synthesis of tri-, tetra-, and pentacarbonyl derivatives via ozonolysis of 1,4-dienes and cyclization to polyaromatic systems.","The Journal of organic chemistry","2014","79","23","11661","11673","10.1021/jo502308d","","","0.71073","MoKα","","0.1078","0.0665","","","0.1404","0.1619","","","","","","1.057","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030624","40.0502","0.001","23.755","0.0005","28.4445","0.0006","90","","129.97","0.0007","90","","20739.6","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H72 Cl4 Ir2 O2 P2 -","- C50 H72 Cl4 Ir2 O2 P2 -","- C800 H1152 Cl64 Ir32 O32 P32 -","16","2","","Nagata, Tomoya; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Correction to iridium-catalyzed annulative coupling of 2-arylbenzoyl chlorides with alkynes: selective formation of phenanthrene derivatives.","The Journal of organic chemistry","2014","79","24","12205","","10.1021/jo5022986","","","0.71073","MoKα","","0.0625","0.0411","","","0.0917","0.1008","","","","","","1.011","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030625","18.879","0.003","13.056","0.002","9.5076","0.0016","90","","93.811","0.011","90","","2338.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 Br2 N O3 -","- C28 H17 Br2 N O3 -","- C112 H68 Br8 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1706","0.0676","","","0.1589","0.224","","","","","","1.002","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030626","9.4896","0.001","14.785","0.0016","17.2235","0.0018","90","","93.408","0.003","90","","2412.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br N O4 -","- C29 H20 Br N O4 -","- C116 H80 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0859","0.0387","","","0.0959","0.1342","","","","","","1.027","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030627","15.7067","0.0019","16.039","0.002","17.011","0.002","90","","90","","90","","4285.4","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0788","0.0408","","","0.0812","0.0945","","","","","","1.001","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030628","16.2285","0.001","15.8298","0.0009","16.6687","0.0012","90","","90","","90","","4282.1","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1089","0.0466","","","0.0749","0.0894","","","","","","0.999","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030629","15.467","0.003","16.39","0.004","17.407","0.004","90","","90","","90","","4412.7","1.7","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0921","0.046","","","0.0847","0.1016","","","","","","1.041","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030630","16.2118","0.0008","16.0178","0.0007","16.699","0.0008","90","","90","","90","","4336.4","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0841","0.0425","","","0.0866","0.1007","","","","","","1.02","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030631","8.4535","0.0007","9.2384","0.0006","14.6945","0.0009","76.924","0.004","81.781","0.004","75.721","0.004","1078.68","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O5 -","- C27 H19 N O5 -","- C54 H38 N2 O10 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0611","0.0448","","","0.1034","0.1138","","","","","","1.035","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030632","8.4303","0.0011","9.4086","0.0013","14.632","0.002","80.941","0.005","85.672","0.005","76.665","0.004","1114.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O4 S -","- C27 H19 N O4 S -","- C54 H38 N2 O8 S2 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.062","0.0471","","","0.1139","0.1241","","","","","","1.051","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030633","15.4319","0.0006","17.3202","0.0007","7.7726","0.0003","90","","102.562","0.002","90","","2027.76","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Br F3 N O3 -","- C23 H13 Br F3 N O3 -","- C92 H52 Br4 F12 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0537","0.0318","","","0.0805","0.1084","","","","","","1.122","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030634","10.1637","0.0018","15.39","0.003","15.061","0.003","90","","107.319","0.002","90","","2249","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Br N O3 -","- C28 H18 Br N O3 -","- C112 H72 Br4 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0483","0.0322","","","0.0804","0.0972","","","","","","1.104","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030635","8.438","0.0013","18.194","0.002","14.098","0.002","90","","91.025","0.006","90","","2164","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C104 H64 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1406","0.0597","","","0.1028","0.1247","","","","","","1.002","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030636","7.3736","0.0003","11.2042","0.0005","13.9298","0.0005","92.092","0.003","104.25","0.003","100.314","0.003","1093.46","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C52 H44 Br2 N2 O6 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1355","0.0574","","","0.1407","0.2032","","","","","","0.99","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030637","8.5974","0.0009","19.016","0.0017","13.0707","0.0013","90","","90.944","0.007","90","","2136.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N O3 -","- C26 H22 Cl N O3 -","- C104 H88 Cl4 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1617","0.1496","","","0.4385","0.4433","","","","","","1.16","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030638","10.5165","0.0006","11.0302","0.0006","11.792","0.0006","83.822","0.003","67.724","0.003","72.66","0.003","1208.23","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C54 H48 Br2 N2 O8 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1175","0.0506","","","0.1336","0.1721","","","","","","1.005","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030639","15.167","0.006","7.776","0.003","20.869","0.008","90","","97.136","0.007","90","","2442.2","1.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C108 H96 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1615","0.0605","","","0.1293","0.1639","","","","","","1.009","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030640","9.6599","0.0004","11.2115","0.0005","11.2494","0.0005","82.924","0.002","82.893","0.002","67.717","0.002","1114.82","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C48 H40 Br2 N2 O6 S2 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0623","0.0513","","","0.1389","0.1449","","","","","","1.17","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030641","9.3495","0.0005","10.1654","0.0006","16.1135","0.0009","99.921","0.002","105.683","0.002","96.551","0.002","1431.4","0.14","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","2","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.1353","0.0605","","","0.114","0.1389","","","","","","1.02","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030642","10.8173","0.0005","10.915","0.0006","14.5641","0.0007","73.997","0.002","72.905","0.002","74.292","0.002","1545.89","0.14","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.0761","0.0514","","","0.1207","0.1432","","","","","","1.063","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030643","7.3806","0.0008","16.057","0.002","9.1541","0.001","90","","109.663","0.004","90","","1021.6","0.2","122","2","122","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.0925","0.0475","","","0.0944","0.1118","","","","","","1.029","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4037605","4.3177","0.0002","16.1033","0.0009","15.9891","0.001","90","","94.126","0.005","90","","1108.83","0.11","296","","296","","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C44 H44 N4 O24 -","4","1","","Kaur, Divneet; Luk, Hoi L.; Coldren, William; Srinivas, Pavan M.; Sridhar, Lakshetti; Prabhakar, Sripadi; Raghunathan, Partha; Guru Row, T. N.; Hadad, Christopher M.; Platz, Matthew S.; Eswaran, Sambasivan V.","Concomitant nitrene and carbene insertion accompanying ring expansion: spectroscopic, X-ray, and computational studies.","The Journal of organic chemistry","2014","79","3","1199","1205","10.1021/jo402621w","","x-ray","0.71073","MoKα","","0.065","0.05","","","0.1076","0.1231","","","","","","1.069","","","","has coordinates","243444","2020-10-21","18:00:00",""
"4037606","7.064","0.003","12.199","0.005","13.628","0.005","71.951","0.016","77.552","0.019","80.597","0.018","1084.4","0.8","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","Keto Indolo quinoxaline (common name)","1. [1,3]dioxolo[4',5':5,6]indolo[1,2-a]quinoxalin-6-yl (4-(tert-butyl)phenyl)methanone (IUPAC name)","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C54 H44 N4 O6 -","2","1","","Samala, Srinivas; Arigela, Rajesh K.; Kant, Ruchir; Kundu, Bijoy","Diversity-oriented synthesis of ketoindoloquinoxalines and indolotriazoloquinoxalines from 1-(2-nitroaryl)-2-alkynylindoles.","The Journal of organic chemistry","2014","79","6","2491","2500","10.1021/jo402783p","","","0.71075","MoKα","","0.0904","0.065","","","0.1892","0.2097","","","","","","1.015","","","","has coordinates","243445","2020-10-21","18:00:00",""
"4037607","22.2452","0.0012","8.0381","0.0005","12.3549","0.0006","90","","98.746","0.005","90","","2183.5","0.2","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 N2 O2 -","- C26 H16 Cl2 N2 O2 -","- C104 H64 Cl8 N8 O8 -","4","0.5","","Song, Hongyu; Chen, Dong; Pi, Chao; Cui, Xiuling; Wu, Yangjie","Palladium(II)-catalyzed direct regioselectively oxidative acylation of azobenzenes with toluene derivatives.","The Journal of organic chemistry","2014","79","7","2955","2962","10.1021/jo5000219","","","1.5418","CuKα","","0.0644","0.0505","","","0.1383","0.1515","","","","","","1.051","","","","has coordinates","243446","2020-10-21","18:00:00",""
"4037608","24.4859","0.0005","11.3635","0.0003","14.26","0.001","90","","125.123","0.009","90","","3245.3","0.4","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H76 N16 O12 -","- C60 H76 N16 O12 -","- C120 H152 N32 O24 -","2","0.5","","Katayama, Katsushi; Okamura, Takuya; Sunadome, Takuya; Nakagawa, Koji; Takeda, Hiroshi; Shiro, Motoo; Matsuda, Akira; Ichikawa, Satoshi","Synthesis and biological evaluation of quinaldopeptin.","The Journal of organic chemistry","2014","79","6","2580","2590","10.1021/jo500039d","","","1.54187","CuKα","","","0.0628","","","","0.1826","","","","","","1.003","","","","has coordinates","243447","2020-10-21","18:00:00",""
"4037609","11.096","0.003","11.096","0.003","31.919","0.008","90","","90","","90","","3929.9","1.8","293","2","293","2","","","","","","","see text","4","P 41 21 2","P 4abw 2nw","92","","","","- C24 H22 N2 S -","- C24 H22 N2 S -","- C192 H176 N16 S8 -","8","1","","Goel, Atul; Sharma, Ashutosh; Rawat, Madhu; Anand, R. S.; Kant, Ruchir","Synthesis of fluorescent C2-bridged teraryls and quateraryls for blue, sky-blue, and green color light-emitting devices.","The Journal of organic chemistry","2014","79","22","10873","10880","10.1021/jo501891w","","","0.71075","MoKα","","0.0398","0.0356","","","0.0807","0.0833","","","","","","1.049","","","","has coordinates","243448","2020-10-21","18:00:00",""
"4037610","20.428","0.003","40.293","0.005","9.1395","0.0011","90","","90","","90","","7522.8","1.7","100","0.5","100","0.5","","","","","","","","4","F d d 2","F 2 -2d","43","frosj01","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C368 H400 N16 O32 -","16","1","","Jacob, Steven D.; Brooks, Joshua L.; Frontier, Alison J.","No acid required: 4π and 6π electrocyclization reactions of dienyl diketones for the synthesis of cyclopentenones and 2H-Pyrans.","The Journal of organic chemistry","2014","79","21","10296","10302","10.1021/jo501914w","","","0.71073","MoKα","","0.1072","0.0544","","","0.0904","0.1041","","","","","","0.838","","","","has coordinates","243449","2020-10-21","18:00:00",""