# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T01:38:22+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 = 84 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
"4033583","38.945","0.002","4.5998","0.0003","26.6918","0.0016","90","","133.009","0.002","90","","3496.5","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N5 O6 -","- C20 H17 N5 O6 -","- C160 H136 N40 O48 -","8","1","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","1.54178","CuKα","","0.0425","0.0358","","","0.1158","0.1251","","","","","","0.989","","","","has coordinates","223217","2020-10-21","18:00:00",""
"4033584","15.0392","0.0017","4.6544","0.0005","23.336","0.002","90","","93.506","0.007","90","","1630.4","0.3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H30 N6 O8 -","- C36 H30 N6 O8 -","- C72 H60 N12 O16 -","2","0.5","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","0.71073","MoKα","","0.1449","0.0589","","","0.1195","0.1527","","","","","","0.954","","","","has coordinates","223217","2020-10-21","18:00:00",""
"4033585","6.6482","0.0002","12.1779","0.0003","12.733","0.0003","62.607","0.001","75.839","0.002","88.593","0.002","882.82","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O8 -","- C20 H17 N O8 -","- C40 H34 N2 O16 -","2","1","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","0.71073","MoKα","","0.0577","0.0433","","","0.1175","0.1268","","","","","","1.074","","","","has coordinates,has disorder","223217","2020-10-21","18:00:00",""
"4033586","6.8925","0.0001","8.5995","0.0002","33.9536","0.0007","90","","90","","90","","2012.5","0.07","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F3 N3 O7 S -","- C17 H20 F3 N3 O7 S -","- C68 H80 F12 N12 O28 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0203","0.0202","","","0.0526","0.0528","","","","","","1.077","","","","has coordinates","223218","2020-10-21","18:00:00",""
"4033587","10.9239","0.0002","22.6975","0.0004","8.8845","0.0002","90","","106.788","0.002","90","","2108.98","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F6 N3 O -","- C9 H5 F6 N3 O -","- C72 H40 F48 N24 O8 -","8","2","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0443","0.0372","","","0.096","0.1005","","","","","","1.034","","","","has coordinates","223219","2020-10-21","18:00:00",""
"4033588","11.5247","0.0003","8.3841","0.0001","21.245","0.0004","90","","104.969","0.002","90","","1983.12","0.07","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N3 -","- C13 H9 N3 -","- C104 H72 N24 -","8","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0357","0.0322","","","0.09","0.0929","","","","","","1.061","","","","has coordinates","223219","2020-10-21","18:00:00",""
"4033589","14.1669","0.0014","6.075","0.0006","15.6269","0.0017","90","","90","","90","","1344.9","0.2","155","","155","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","0.5","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0656","0.048","","","0.115","0.1302","","","","","","1.043","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033590","11.096","0.003","11.577","0.004","12.028","0.003","62.158","0.01","89.182","0.009","72.717","0.014","1290.3","0.7","296","2","295.82","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl N2 O6 S -","- C28 H25 Cl N2 O6 S -","- C56 H50 Cl2 N4 O12 S2 -","2","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0746","0.0529","","","0.1489","0.1659","","","","","","1.042","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033591","11.796","0.002","7.326","0.0015","31.816","0.006","90","","90","","90","","2749.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C128 H88 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.7","synchrotron","","0.0623","0.0462","","","0.1282","0.136","","","","","","1.048","","","","has coordinates","223235","2020-10-21","18:00:00",""
"4033592","11.035","0.003","12.177","0.003","17.248","0.004","90.577","0.004","98.878","0.004","99.787","0.005","2255","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","2","","Kattamuri, Padmanabha V.; Bhakta, Urmibhusan; Siriwongsup, Surached; Kwon, Doo-Hyun; Alemany, Lawrence B.; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Synthesis of Structurally Diverse 3-, 4-, 5-, and 6-Membered Heterocycles from Diisopropyl Iminomalonates and Soft C-Nucleophiles.","The Journal of organic chemistry","2019","84","11","7066","7099","10.1021/acs.joc.9b00681","","","0.71073","MoKα","","0.2125","0.0873","","","0.205","0.2837","","","","","","1.077","","","","has coordinates","223233","2020-10-21","18:00:00",""
"4033593","10.8576","0.0003","13.0152","0.0004","17.4505","0.0005","104.015","0.002","97.067","0.002","96.925","0.002","2345.28","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","2","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.2121","0.1297","","","0.3583","0.4175","","","","","","1.287","","","","has coordinates","223238","2020-10-21","18:00:00",""
"4033594","7.4944","0.0003","11.0027","0.0004","14.0513","0.0005","91.9","0.003","90.732","0.003","101.377","0.003","1135.04","0.07","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","2","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0468","0.041","","","0.1126","0.1177","","","","","","1.065","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033595","14.4932","0.0003","10.3321","0.0002","19.1214","0.0004","90","","108.602","0.002","90","","2713.75","0.1","123","0.2","123","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 -","- C18 H12 N4 -","- C144 H96 N32 -","8","2","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0416","0.0374","","","0.103","0.1076","","","","","","1.051","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033596","13.1456","0.0004","5.1912","0.0002","16.5884","0.0005","90","","90.411","0.002","90","","1131.99","0.07","123","1","123","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0454","0.0353","","","0.0917","0.0995","","","","","","1.057","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033597","13.7408","0.0002","10.8233","0.0002","16.535","0.0002","90","","90","","90","","2459.1","0.07","123.01","0.1","123.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C112 H80 Br8 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0283","0.0261","","","0.0708","0.0726","","","","","","1.083","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033598","7.8775","0.0001","8.9322","0.0001","17.6085","0.0003","90","","99.102","0.001","90","","1223.39","0.03","123","0.11","123","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0346","0.0334","","","0.083","0.084","","","","","","1.04","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033599","9.5514","0.0003","9.5468","0.0002","17.8087","0.0005","90","","105.517","0.003","90","","1564.7","0.08","296.95","0.1","296.95","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N3 -","- C10 H7 N3 -","- C80 H56 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0486","0.0473","","","0.1086","0.1093","","","","","","1.201","","","","has coordinates,has disorder","223234","2020-10-21","18:00:00",""
"4033600","8.3761","0.0004","9.1695","0.0005","12.8814","0.0007","76.433","0.005","81.845","0.004","76.422","0.005","930.91","0.09","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C38 H38 Br2 N4 O4 S2 -","2","1","","Zhou, Yuxuan; Li, Zhenmin; Ma, Fanghui; Zhao, Chang; Lu, Ping; Wang, Yanguang","Palladium-Catalyzed Synthesis of 3-Haloindol-2-amines from 3-Diazoindolin-2-imines and Alkyl Halides.","The Journal of organic chemistry","2019","84","11","6655","6668","10.1021/acs.joc.9b00191","","","0.71073","MoKα","","0.0538","0.0374","","","0.0864","0.0954","","","","","","1.051","","","","has coordinates","223236","2020-10-21","18:00:00",""
"4033601","11.302","0.002","7.7678","0.001","13.039","0.003","90","","108.99","0.02","90","","1082.4","0.4","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C46 H38 Br2 N4 O6 S2 -","2","1","","Zhou, Yuxuan; Li, Zhenmin; Ma, Fanghui; Zhao, Chang; Lu, Ping; Wang, Yanguang","Palladium-Catalyzed Synthesis of 3-Haloindol-2-amines from 3-Diazoindolin-2-imines and Alkyl Halides.","The Journal of organic chemistry","2019","84","11","6655","6668","10.1021/acs.joc.9b00191","","","0.71073","MoKα","","0.0641","0.0479","","","0.1034","0.1199","","","","","","1.096","","","","has coordinates","223236","2020-10-21","18:00:00",""
"4033602","6.0161","0.0013","7.0221","0.0017","7.62","0.002","90","","90","","90","","321.91","0.13","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C8 H16 Cl2 F4 N2 -","2","0.5","","Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O.","Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks.","The Journal of organic chemistry","2019","84","13","8487","8496","10.1021/acs.joc.9b00719","","","0.71073","MoKα","","0.0255","0.0244","","","0.0598","0.0605","","","","","","1.023","","","","has coordinates","223221","2020-10-21","18:00:00",""
"4033603","9.1839","0.0004","9.046","0.0004","14.9911","0.0007","90","","91.1716","0.0013","90","","1245.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C32 H64 Cl8 F16 N8 -","8","2","","Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O.","Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks.","The Journal of organic chemistry","2019","84","13","8487","8496","10.1021/acs.joc.9b00719","","","1.54178","CuKα","","0.0239","0.0231","","","0.0591","0.0596","","","","","","1.061","","","","has coordinates","223221","2020-10-21","18:00:00",""
"4033604","14.3388","0.0005","10.8672","0.0004","10.7633","0.0003","90","","93.505","0.003","90","","1674.03","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br F3 N O3 -","- C15 H15 Br F3 N O3 -","- C60 H60 Br4 F12 N4 O12 -","4","1","","Das, Prasanta; Hasan, Mohammad H.; Mitra, Dipanwita; Bollavarapu, Ratna; Valente, Edward J.; Tandon, Ritesh; Raucher, Drazen; Hamme, 2nd, Ashton T","Design, Synthesis, and Preliminary Studies of Spiro-isoxazoline-peroxides against Human Cytomegalovirus and Glioblastoma ∥.","The Journal of organic chemistry","2019","84","11","6992","7006","10.1021/acs.joc.9b00746","","x-ray","0.71073","MoKα","","0.1202","0.0522","","","0.1433","0.1823","","","","","","1.003","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4033611","9.1662","0.0002","11.1972","0.0002","13.268","0.0002","109.332","0.002","95.505","0.001","113.013","0.002","1142.22","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Wang, Chun-Ying; Han, Jia-Bin; Wang, Long; Tang, Xiang-Ying","Lewis Acid Catalyzed [4 + 2] Cycloaddition of <i>N</i>-Tosylhydrazones with <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","14258","14269","10.1021/acs.joc.9b02040","","x-ray","1.54184","CuKα","","0.0356","0.0352","","","0.0897","0.09","","","","","","1.044","","","","has coordinates","223222","2020-10-21","18:00:00",""
"4033612","12.88","0.003","16.51","0.003","6.395","0.0013","90","","99.63","0.03","90","","1340.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C60 H68 N12 O4 -","4","1","","Witkowska, Agnieszka; Brzezinska, Jolanta; Pedzinski, Tomasz; Chmielewski, Marcin K.","Fluorescent 2-(Pyridin-2-yl)vinyl Pyridine Dyes and Their Thermocontrolled Release.","The Journal of organic chemistry","2019","84","21","13447","13456","10.1021/acs.joc.9b01620","","","0.89429","synchrotron","","0.0459","0.0413","","","0.1053","0.1317","","","","","","1.166","","","","has coordinates","223223","2020-10-21","18:00:00",""
"4033613","7.582","0.0001","12.2125","0.0001","29.8274","0.0003","90","","90","","90","","2761.87","0.05","223","","223","","","","101.3","","","","","4","P b c a","-P 2ac 2ab","61","4-methoxy-6-nitro-2-phenylchromane","4-methoxy-6-nitro-2-phenylchromane","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0499","0.0472","","","0.1237","0.1265","","","","","","1.111","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033614","9.1504","0.0002","9.164","0.0002","11.3246","0.0002","112.025","0.002","102.585","0.001","98.478","0.002","831.15","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C34 H32 N4 O14 -","2","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0493","0.047","","","0.1238","0.1259","","","","","","1.077","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033615","7.6119","0.0002","8.7039","0.0004","13.041","0.0006","86.965","0.004","79.616","0.003","78.971","0.003","834.01","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C34 H32 N4 O14 -","2","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0599","0.055","","","0.1608","0.1698","","","","","","1.082","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033616","19.835","0.003","5.8838","0.0007","17.3407","0.0019","90","","113.033","0.004","90","","1862.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenyl phenylselanyl benzo imidazo thiazine","4-phenyl-3-(phenylselanyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C22 H16 N2 S Se -","- C22 H16 N2 S Se -","- C88 H64 N8 S4 Se4 -","4","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0577","0.0346","","","0.0842","0.0991","","","","","","1.12","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033617","5.8575","0.0003","21.3888","0.0012","15.7642","0.0008","90","","92.419","0.002","90","","1973.26","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenylselanyl p-tolyl benzo imidazo thiazine","3-(phenylselanyl)-4-(p-tolyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C23 H18 N2 S Se -","- C23 H18 N2 S Se -","- C92 H72 N8 S4 Se4 -","4","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0717","0.0385","","","0.0757","0.0857","","","","","","1.005","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033618","5.999","0.003","7.392","0.003","21.647","0.012","90","","96.023","0.017","90","","954.6","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorophenyl phenylselanyl benzo imidazo thiazine","4-(4-chlorophenyl)-3-(phenylselanyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C22 H15 Cl N2 S Se -","- C22 H15 Cl N2 S Se -","- C44 H30 Cl2 N4 S2 Se2 -","2","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0272","0.0243","","","0.0564","0.0572","","","","","","1.039","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033619","29.4767","0.0008","7.5456","0.0002","21.702","0.0006","90","","90","","90","","4826.9","0.2","123","","123","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H16 Cl3 I2 In N O2 -","- C23 H16 Cl1.5 I2 In N O2 -","- C184 H128 Cl12 I16 In8 N8 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.115","0.124","","","","","","0.892","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033620","14.25","0.0002","14.314","0.0002","28.2402","0.0004","90","","90","","90","","5760.28","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 I6 In2 O2 -","- C18 H14 I6 In2 O2 -","- C144 H112 I48 In16 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","1.54184","CuKα","","0.0525","0.0496","","","0.1314","0.1343","","","","","","1.067","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033621","10.2861","0.0004","12.2992","0.0004","18.0217","0.0007","85.011","0.003","79.264","0.003","71.536","0.003","2123.76","0.14","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","2","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0902","0.0501","","","0.1391","0.1651","","","","","","0.943","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033622","8.4349","0.0005","10.8431","0.0005","20.7594","0.0011","90","","96.089","0.005","90","","1887.95","0.17","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","","0.71073","MoKα","","","0.0537","","","","0.1004","","","","","","0.981","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033623","10.4592","0.0008","8.1844","0.0006","13.6348","0.001","90","","100.54","0.007","90","","1147.48","0.15","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C62 H44 O6 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0556","0.043","","","0.0967","0.1042","","","","","","1.052","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033624","10.0337","0.0005","5.7858","0.0003","19.3039","0.001","90","","100.44","0.005","90","","1102.1","0.1","123","","123","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C31 H20 O2 -","- C31 H20 O2 -","- C62 H40 O4 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0462","0.0375","","","0.0855","0.0894","","","","","","1.056","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033628","9.372","0.0009","10.1969","0.001","11.3176","0.0011","90","","96.536","0.003","90","","1074.54","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C48 H40 N12 O4 -","2","1","","Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu","Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable <i>n</i>-Type Organic Field-Effect Transistors: Critical Role of <i>N</i>-Alkyl Substituent on Device Performance.","The Journal of organic chemistry","2019","84","21","14061","14068","10.1021/acs.joc.9b02207","","","0.71073","MoKα","","0.0493","0.0402","","","0.0965","0.1031","","","","","","1.055","","","","has coordinates","223227","2020-10-21","18:00:00",""
"4033629","8.6764","0.0007","11.0515","0.0009","31.064","0.002","90","","94.38","0.003","90","","2969.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N6 O2 -","- C32 H36 N6 O2 -","- C128 H144 N24 O8 -","4","1","","Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu","Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable <i>n</i>-Type Organic Field-Effect Transistors: Critical Role of <i>N</i>-Alkyl Substituent on Device Performance.","The Journal of organic chemistry","2019","84","21","14061","14068","10.1021/acs.joc.9b02207","","","0.71073","MoKα","","0.0514","0.0368","","","0.0964","0.111","","","","","","1.081","","","","has coordinates","223227","2020-10-21","18:00:00",""
"4033630","4.962","0.0002","13.1568","0.0006","10.7648","0.0005","90","","96.674","0.001","90","","698.01","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 I N5 O4 -","- C10 H12 I N5 O4 -","- C20 H24 I2 N10 O8 -","2","1","","Leonard, Peter; Kondhare, Dasharath; Jentgens, Xenia; Daniliuc, Constantin; Seela, Frank","Nucleobase-Functionalized 5-Aza-7-deazaguanine Ribo- and 2'-Deoxyribonucleosides: Glycosylation, Pd-Assisted Cross-Coupling, and Photophysical Properties.","The Journal of organic chemistry","2019","84","21","13313","13328","10.1021/acs.joc.9b01347","","","1.54178","CuKα","","0.0202","0.0199","","","0.0476","0.0478","","","","","","1.054","","","","has coordinates","223228","2020-10-21","18:00:00",""
"4033631","15.9706","0.0005","25.3689","0.0007","19.9594","0.0006","90","","98.497","0.001","90","","7997.9","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H68 Cl6 N8 O16 -","- C90 H68 Cl6 N8 O16 -","- C360 H272 Cl24 N32 O64 -","4","1","","Furuyama, Taniyuki; Maeda, Kazuya; Maeda, Hajime; Segi, Masahito","Chemoselective Synthesis of Aryloxy-Substituted Phthalocyanines.","The Journal of organic chemistry","2019","84","21","14306","14312","10.1021/acs.joc.9b02126","","","1.54178","CuKα","","0.0808","0.0716","","","0.1947","0.207","","","","","","1.03","","","","has coordinates","223229","2020-10-21","18:00:00",""
"4033632","8.8184","0.0006","12.864","0.0008","14.676","0.001","104.981","0.003","90.846","0.003","101.054","0.004","1574.78","0.18","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C80 H48 N8 O8 -","4","2","","Furuyama, Taniyuki; Maeda, Kazuya; Maeda, Hajime; Segi, Masahito","Chemoselective Synthesis of Aryloxy-Substituted Phthalocyanines.","The Journal of organic chemistry","2019","84","21","14306","14312","10.1021/acs.joc.9b02126","","","1.54178","CuKα","","0.0499","0.0438","","","0.1211","0.1255","","","","","","1.101","","","","has coordinates","223229","2020-10-21","18:00:00",""
"4033633","16.1154","0.0005","12.2973","0.0003","21.8677","0.0006","90","","113.366","0.004","90","","3978.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 B2 Cl2 O6 -","- C42 H52 B2 Cl2 O6 -","- C168 H208 B8 Cl8 O24 -","4","0.5","","Kamei, Toshiyuki; Nishino, Soshi; Yagi, Akiko; Segawa, Yasutomo; Shimada, Toyoshi","Ni-Catalyzed α-Selective C-H Borylations of Naphthalene-Based Aromatic Compounds.","The Journal of organic chemistry","2019","84","21","14354","14359","10.1021/acs.joc.9b02333","","","0.71073","MoKα","","0.057","0.0512","","","0.1383","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223230","2020-10-21","18:00:00",""
"4033635","11.527","0.005","8.015","0.003","17.6","0.007","90","","103.109","0.009","90","","1583.7","1.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Li, Huihui; Wu, Chenglin; Liu, Hong; Wang, Jiang","Ruthenium(II)-Catalyzed C-H Acylmethylation between (Hetero)arenes and α-Cl Ketones/Sulfoxonium Ylides.","The Journal of organic chemistry","2019","84","21","13262","13275","10.1021/acs.joc.9b01013","","","0.71073","MoKα","","0.1625","0.0549","","","0.1066","0.1441","","","","","","0.913","","","","has coordinates","223231","2020-10-21","18:00:00",""
"4033636","8.912","0.002","9.739","0.003","13.835","0.004","90","","107.019","0.01","90","","1148.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0391","0.0381","","","0.1077","0.1088","","","","","","1.046","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033637","31.933","0.004","7.2952","0.001","32.306","0.004","90","","169.263","0.003","90","","1402.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","0.71073","MoKα","","0.0689","0.0635","","","0.1804","0.1863","","","","","","1.063","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033638","8.6675","0.0002","13.7568","0.0003","21.7507","0.0005","90","","90","","90","","2593.49","0.1","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C104 H128 N32 O16 -","8","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0433","0.0368","","","0.0887","0.094","","","","","","1.0456","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033671","9.1408","0.0012","14.6605","0.0019","21.357","0.003","90","","90.094","0.002","90","","2862","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O8 -","- C30 H31 N3 O8 -","- C120 H124 N12 O32 -","4","1","","Cerveri, Alessandro; Faza, Olalla Nieto; López, Carlos Silva; Grilli, Stefano; Monari, Magda; Bandini, Marco","Phosphine-Catalyzed Stereoselective Dearomatization of 3-NO<sub>2</sub>-Indoles with Allenoates.","The Journal of organic chemistry","2019","84","10","6347","6355","10.1021/acs.joc.9b00559","","","0.71073","MoKα","","0.0949","0.0684","","","0.1704","0.1851","","","","","","0.965","","","","has coordinates,has disorder","222247","2020-10-21","18:00:00",""
"4033672","9.1093","0.0011","16.8358","0.0016","9.1043","0.0009","90","","96.442","0.01","90","","1387.4","0.3","293","0.1","293","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Bellotti, Peter; Brocus, Julien; El Orf, Fatima; Selkti, Mohamed; König, Burkhard; Belmont, Philippe; Brachet, Etienne","Visible Light-Induced Regioselective Cycloaddition of Benzoyl Azides and Alkenes To Yield Oxazolines.","The Journal of organic chemistry","2019","84","10","6278","6285","10.1021/acs.joc.9b00568","","x-ray","0.71073","MoKα","","0.0936","0.0616","","","0.1341","0.1505","","","","","","1.08","","","","has coordinates","222248","2020-10-21","18:00:00",""
"4033673","10.2751","0.0019","11.8804","0.0018","15.351","0.003","71.794","0.005","70.703","0.006","84.139","0.005","1680.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 N3 O3 S Se -","- C17 H15 N3 O3 S Se -","- C68 H60 N12 O12 S4 Se4 -","4","2","","Shieh, Yi-Chen; Du, Kai; Basha, R. Sidick; Xue, Yung-Jing; Shih, Bo-Hao; Li, Liang; Lee, Chin-Fa","Syntheses of Thioethers and Selenide Ethers from Anilines.","The Journal of organic chemistry","2019","84","10","6223","6231","10.1021/acs.joc.9b00322","","x-ray","0.71073","MoKα","","0.1151","0.0959","","","0.2745","0.2868","","","","","","1.055","","","","has coordinates","222249","2020-10-21","18:00:00",""
"4033674","7.9889","0.0002","13.9286","0.0003","15.6096","0.0004","90","","90","","90","","1736.95","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 S -","- C15 H21 N3 O6 S -","- C60 H84 N12 O24 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0212","0.0211","","","0.055","0.0551","","","","","","1.047","","","","has coordinates","222250","2020-10-21","18:00:00",""
"4033675","34.9784","0.0003","5.04961","0.00005","9.52947","0.00011","90","","90","","90","","1683.16","0.03","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C84 H56 N16 O8 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0248","0.024","","","0.059","0.0595","","","","","","1.067","","","","has coordinates","222251","2020-10-21","18:00:00",""
"4033676","4.3901","0.0001","13.329","0.0003","12.9278","0.0003","90","","99.754","0.002","90","","745.54","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 I N3 -","- C7 H4 I N3 -","- C28 H16 I4 N12 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0321","0.0307","","","0.0793","0.0805","","","","","","1.052","","","","has coordinates","222252","2020-10-21","18:00:00",""
"4033677","4.7661","0.0001","15.9025","0.0004","10.47","0.0003","90","","96.973","0.002","90","","787.68","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F3 N3 -","- C8 H4 F3 N3 -","- C32 H16 F12 N12 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0364","0.0325","","","0.0922","0.0949","","","","","","1.05","","","","has coordinates,has disorder","222253","2020-10-21","18:00:00",""
"4033678","3.9963","0.0002","11.3522","0.0006","22.1872","0.0012","90","","93.619","0.004","90","","1004.55","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0508","0.0411","","","0.113","0.1188","","","","","","1.044","","","","has coordinates","222254","2020-10-21","18:00:00",""
"4033679","6.111","0.0003","16.2539","0.0009","26.4398","0.0013","90","","94.775","0.002","90","","2617.1","0.2","296","2","295.7","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl3 F N2 O4 S -","- C26 H20 Cl3 F N2 O4 S -","- C104 H80 Cl12 F4 N8 O16 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0843","0.0688","","","0.2022","0.2163","","","","","","1.069","","","","has coordinates","222255","2020-10-21","18:00:00",""
"4033680","11.1661","0.0008","8.1386","0.0006","23.507","0.0015","90","","90.591","0.006","90","","2136.1","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N3 O2 -","- C26 H18 Cl N3 O2 -","- C104 H72 Cl4 N12 O8 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0784","0.0492","","","0.1153","0.1354","","","","","","1.029","","","","has coordinates","222256","2020-10-21","18:00:00",""
"4033681","15.3464","0.0015","10.3631","0.0011","14.3374","0.0015","90","","99.042","0.01","90","","2251.8","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O5 S -","- C26 H22 N2 O5 S -","- C104 H88 N8 O20 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0721","0.0498","","","0.1214","0.1387","","","","","","1.034","","","","has coordinates","222257","2020-10-21","18:00:00",""
"4033682","6.911","0.0004","14.8847","0.0009","21.0989","0.0012","90","","90.882","0.005","90","","2170.1","0.2","149.6","","149.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 S -","- C26 H22 N2 O4 S -","- C104 H88 N8 O16 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0619","0.0443","","","0.1005","0.1132","","","","","","1.05","","","","has coordinates","222258","2020-10-21","18:00:00",""
"4033683","8.7165","0.0015","14.056","0.003","14.557","0.003","72.555","0.007","74.384","0.005","75.547","0.004","1610.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,8-Diallyl-deuteroporphyrin IX dimethyl ester","","- C38 H42 N4 O4 -","- C38 H42 N4 O4 -","- C76 H84 N8 O8 -","2","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.1305","0.0838","","","0.2295","0.2582","","","","","","1.046","","","","has coordinates,has disorder","222259","2020-10-21","18:00:00",""
"4033684","25.8161","0.001","8.5863","0.0003","32.5051","0.0012","90","","90","","90","","7205.2","0.5","100","","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,8-Diphenyl-deuteroporphyrin IX dimethyl ester","","- C44 H41.99 N4 O4 Pd0.01 -","- C44 H41.99 N4 O4 Pd0.01 -","- C352 H335.92 N32 O32 Pd0.08 -","8","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.0873","0.0555","","","0.1211","0.1362","","","","","","1.046","","","","has coordinates,has disorder","222260","2020-10-21","18:00:00",""
"4033685","12.1006","0.0015","11.2249","0.0014","20.34","0.003","90","","99.526","0.004","90","","2724.6","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 B N7 O3 P W -","- C23 H35 B N7 O3 P W -","- C92 H140 B4 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0168","0.0138","","","0.0317","0.0328","","","","","","1.06","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033686","10.5223","0.0008","22.0818","0.0017","12.526","0.0009","90","","94.715","0.001","90","","2900.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 B N7 O3 P W -","- C24 H39 B N7 O3 P W -","- C96 H156 B4 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0425","0.0274","","","0.0458","0.0493","","","","","","1.009","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033687","8.9012","0.0006","11.0642","0.0007","15.1042","0.001","103.849","0.001","104.746","0.001","99.213","0.002","1357.47","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H35 B N7 O3 P W -","- C23 H35 B N7 O3 P W -","- C46 H70 B2 N14 O6 P2 W2 -","2","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0151","0.0131","","","0.0298","0.0303","","","","","","1.05","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033688","9.1339","0.0009","10.4866","0.0011","11.61","0.0012","76.105","0.009","72.394","0.009","82.857","0.008","1027.33","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 F3 O5 -","- C23 H21 F3 O5 -","- C46 H42 F6 O10 -","2","1","","Shen, Yao-Bin; Li, Shuai-Shuai; Sun, Yun-Ming; Yu, Liping; Hao, Zhi-Hui; Liu, Qing; Xiao, Jian","Organocatalytic C(sp<sup>3</sup>)-H Functionalization of 5-Methyl-2,3-dihydrofuran Derivatives with Trifluoropyruvates via a Sequential exo-Tautomerization/Carbonyl-Ene Process.","The Journal of organic chemistry","2019","84","5","2779","2785","10.1021/acs.joc.8b03170","","","1.54184","CuKα","","0.0796","0.0476","","","0.0951","0.1128","","","","","","0.981","","","","has coordinates","222262","2020-10-21","18:00:00",""
"4033689","18.0117","0.0009","5.5154","0.0003","18.9813","0.0008","90","","117.213","0.002","90","","1676.92","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butylthio phenylthyoazolo indole","3-(butylthio)-2-phenylthyoazolo[3,2-a]indole","","- C20 H19 N S2 -","- C20 H19 N S2 -","- C80 H76 N4 S8 -","4","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi Fernando; Zeni, Gilson","Synthesis of 3-(Organochalcogen) Chalcogenazolo Indoles via Cascade Cyclization of N-Alkynylindoles.","The Journal of organic chemistry","2019","84","5","2891","2900","10.1021/acs.joc.9b00052","","","0.56086","AgKα","","0.0695","0.0499","","","0.1233","0.139","","","","","","1.097","","","","has coordinates","222263","2020-10-21","18:00:00",""
"4033690","10.3911","0.0005","11.0643","0.0009","14.6903","0.0012","79.994","0.006","81.269","0.006","78.371","0.005","1617.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","bis phenyl selenazole indole diselene","1,2-bis(2-phenyl-[1,3]selenazole[3,2-a]indole-3-il)diselene","","- C33 H24 Cl2 N2 O Se4 -","- C33 H24 Cl2 N2 O Se4 -","- C66 H48 Cl4 N4 O2 Se8 -","2","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi Fernando; Zeni, Gilson","Synthesis of 3-(Organochalcogen) Chalcogenazolo Indoles via Cascade Cyclization of N-Alkynylindoles.","The Journal of organic chemistry","2019","84","5","2891","2900","10.1021/acs.joc.9b00052","","","1.54178","CuKα","","0.045","0.0437","","","0.128","0.1291","","","","","","1.108","","","","has coordinates","222264","2020-10-21","18:00:00",""
"4033691","13.6561","0.0014","7.5404","0.001","20.07","0.002","90","","106.046","0.005","90","","1986.1","0.4","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C104 H76 N4 O16 -","4","1","","Wang, Lei G.; Munhenzva, Ian; Sibrian-Vazquez, Martha; Escobedo, Jorge O.; Kitts, Catherine H.; Fronczek, Frank R.; Strongin, Robert M.","Altering Fundamental Trends in the Emission of Xanthene Dyes.","The Journal of organic chemistry","2019","84","5","2585","2595","10.1021/acs.joc.8b03030","","","1.54178","CuKα","","0.057","0.039","","","0.093","0.102","","","","","","1.018","","","","has coordinates","222265","2020-10-21","18:00:00",""
"4033692","8.58","0.002","6.697","0.002","14.995","0.003","90","","94.59","0.03","90","","858.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C42 H38 N2 O6 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.0542","0.0425","","","0.0937","0.0993","","","","","","1.052","","","","has coordinates","222266","2020-10-21","18:00:00",""
"4033693","8.616","0.006","9.784","0.007","10.822","0.007","84.06","0.02","86.84","0.02","86.69","0.02","904.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N6 O6 S6 -","- C21 H19 N O3 S -","- C42 H38 N2 O6 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.3391","0.2206","","","0.4689","0.5284","","","","","","1.19","","","","has coordinates","222267","2020-10-21","18:00:00",""
"4033694","6.459","0.002","14.027","0.003","20.557","0.004","90","","93.01","0.03","90","","1859.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.1136","0.0608","","","0.1397","0.1683","","","","","","0.982","","","","has coordinates","222268","2020-10-21","18:00:00",""
"4033695","8.5519","0.0016","13.646","0.003","15.984","0.003","90","","100.924","0.003","90","","1831.5","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Zhu, Wenju; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Intramolecular Arylation of Tertiary Enamides through Pd(OAc)<sub>2</sub>-Catalyzed Dehydrogenative Cross-Coupling Reaction: Construction of Fused N-Heterocyclic Scaffolds and Synthesis of Isoindolobenzazepine Alkaloids.","The Journal of organic chemistry","2019","84","5","2870","2878","10.1021/acs.joc.9b00010","","","0.71073","MoKα","","0.0521","0.0502","","","0.119","0.1203","","","","","","1.162","","","","has coordinates","222269","2020-10-21","18:00:00",""
"4033696","15.012","0.005","7.022","0.002","15.989","0.005","90","","108.633","0.003","90","","1597.1","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Zhu, Wenju; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Intramolecular Arylation of Tertiary Enamides through Pd(OAc)<sub>2</sub>-Catalyzed Dehydrogenative Cross-Coupling Reaction: Construction of Fused N-Heterocyclic Scaffolds and Synthesis of Isoindolobenzazepine Alkaloids.","The Journal of organic chemistry","2019","84","5","2870","2878","10.1021/acs.joc.9b00010","","","0.71073","MoKα","","0.0587","0.0546","","","0.12","0.1225","","","","","","1.191","","","","has coordinates","222270","2020-10-21","18:00:00",""
"4033697","8.6589","0.0004","10.155","0.0006","9.1765","0.0005","90","","95.413","0.002","90","","803.3","0.07","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cl O4 -","- C7 H7 Cl O4 -","- C28 H28 Cl4 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.037","0.032","","","0.0863","0.0897","","","","","","1.08","","","","has coordinates,has disorder","222271","2020-10-21","18:00:00",""
"4033698","7.2292","0.0004","8.9578","0.0005","9.787","0.0005","103.405","0.002","109.383","0.002","103.08","0.002","548.9","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C9 H10 Cl2 O4 -","- C9 H10 Cl2 O4 -","- C18 H20 Cl4 O8 -","2","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0311","0.028","","","0.0703","0.0719","","","","","","1.076","","","","has coordinates","222272","2020-10-21","18:00:00",""
"4033699","15.6926","0.0008","8.2181","0.0004","17.5298","0.0009","90","","94.08","0.001","90","","2255","0.2","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl2 O4 -","- C9 H10 Cl2 O4 -","- C72 H80 Cl16 O32 -","8","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0401","0.0394","","","0.1063","0.1069","","","","","","1.054","","","","has coordinates","222273","2020-10-21","18:00:00",""
"4033700","8.3441","0.0006","8.7828","0.0006","12.8812","0.001","90","","106.715","0.002","90","","904.11","0.11","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl2 O4 -","- C7 H6 Cl2 O4 -","- C28 H24 Cl8 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0279","0.0236","","","0.0623","0.0644","","","","","","1.041","","","","has coordinates","222275","2020-10-21","18:00:00",""
"4033701","5.8299","0.0005","6.6662","0.0006","7.1505","0.0006","102.337","0.003","112.745","0.003","95.285","0.003","245.61","0.04","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C7 H5 Cl3 O4 -","- C7 H5 Cl3 O4 -","- C7 H5 Cl3 O4 -","1","0.5","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0402","0.0372","","","0.092","0.0939","","","","","","1.062","","","","has coordinates","222276","2020-10-21","18:00:00",""
"4033702","6.0545","0.0005","12.2773","0.0011","15.7597","0.0013","90","","91.388","0.004","90","","1171.12","0.17","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl3 O4 -","- C9 H9 Cl3 O4 -","- C36 H36 Cl12 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0605","0.0488","","","0.1238","0.1312","","","","","","1.086","","","","has coordinates","222277","2020-10-21","18:00:00",""
"4033703","12.3753","0.0011","12.0364","0.0011","21.8658","0.0019","90","","100.758","0.003","90","","3199.8","0.5","200","2","200","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Cl4 O4 -","- C7 H4 Cl4 O4 -","- C84 H48 Cl48 O48 -","12","1.5","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0554","0.0514","","","0.1326","0.136","","","","","","1.038","","","","has coordinates","222278","2020-10-21","18:00:00",""
"4033704","6.5932","0.0003","12.0844","0.0003","24.7934","0.0009","90","","97.03","0.003","90","","1960.56","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl0 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.0589","0.0484","","","0.1141","0.1201","","","","","","1.06","","","","has coordinates","222279","2020-10-21","18:00:00",""
"4033705","27.762","0.006","8.2","0.002","11.158","0.003","90","","91.106","0.019","90","","2539.6","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F N2 O S -","- C14 H9 F N2 O S -","- C112 H72 F8 N16 O8 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.0937","0.0631","","","0.1427","0.1675","","","","","","1.031","","","","has coordinates","222280","2020-10-21","18:00:00",""
"4033706","39.285","0.015","5.8249","0.0012","17.044","0.004","90","","91.05","0.03","90","","3899.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C168 H176 N16 O24 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.1667","0.1056","","","0.2176","0.2546","","","","","","1.076","","","","has coordinates","222281","2020-10-21","18:00:00",""
"4033707","11.3411","0.0006","18.519","0.0013","9.0419","0.0005","90","","90","","90","","1899","0.2","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0669","0.0487","","","0.0858","0.0938","","","","","","1.064","","","","has coordinates,has disorder","222282","2020-10-21","18:00:00",""
"4033708","9.3286","0.0004","11.5424","0.0005","17.6325","0.0008","90","","90","","90","","1898.57","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C96 H108 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0442","0.0382","","","0.0733","0.0768","","","","","","1.082","","","","has coordinates,has disorder","222283","2020-10-21","18:00:00",""
"4033709","9.7648","0.0004","9.8776","0.001","26.8081","0.0011","90","","90","","90","","2585.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br Fe N O2 -","- C31 H30 Br Fe N O2 -","- C124 H120 Br4 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.049","0.0395","","","0.0666","0.0702","","","","","","1.029","","","","has coordinates","222284","2020-10-21","18:00:00",""
"4033710","10.53","0.0003","7.9937","0.0003","11.1625","0.0003","90","","91.636","0.003","90","","939.21","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0329","","","0.0653","0.0669","","","","","","1.0479","","","","has coordinates","222285","2020-10-21","18:00:00",""
"4033711","8.8616","0.0003","11.156","0.0003","9.5963","0.0003","90","","93.548","0.002","90","","946.87","0.05","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C48 H54 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0282","0.0271","","","0.0613","0.0621","","","","","","1.052","","","","has coordinates","222286","2020-10-21","18:00:00",""
"4033712","9.3061","0.0003","13.2809","0.0004","15.7071","0.0005","90","","90","","90","","1941.29","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0673","0.0688","","","","","","1.088","","","","has coordinates","222287","2020-10-21","18:00:00",""
"4033713","7.423","0.0005","7.6677","0.0006","12.3124","0.0008","87.783","0.006","86.443","0.006","86.723","0.006","697.86","0.09","100.1","0.5","100.1","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 Fe O3 -","- C16 H18 Fe O3 -","- C32 H36 Fe2 O6 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0569","0.0476","","","0.1073","0.1142","","","","","","1.085","","","","has coordinates","222288","2020-10-21","18:00:00",""
"4033714","13.1271","0.0006","14.1243","0.0005","9.6969","0.0004","90","","96.527","0.004","90","","1786.26","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Fe N O -","- C23 H23 Fe N O -","- C92 H92 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0612","0.0533","","","0.1354","0.1409","","","","","","1.03","","","","has coordinates","222289","2020-10-21","18:00:00",""
"4033715","10.5422","0.0004","7.9944","0.0002","11.1408","0.0004","90","","91.54","0.003","90","","938.59","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0389","0.035","","","0.0699","0.0724","","","","","","1.04","","","","has coordinates","222290","2020-10-21","18:00:00",""
"4033716","9.2338","0.0004","12.0196","0.0006","16.6968","0.0007","90","","90","","90","","1853.12","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0453","0.0384","","","0.0731","0.077","","","","","","1.046","","","","has coordinates","222291","2020-10-21","18:00:00",""
"4033717","9.1397","0.0002","18.9143","0.0005","10.8778","0.0003","90","","90","","90","","1880.46","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0597","0.0613","","","","","","1.035","","","","has coordinates","222292","2020-10-21","18:00:00",""
"4033718","10.9629","0.0007","21.9497","0.0012","11.2186","0.0007","90","","109.088","0.007","90","","2551.1","0.3","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H17 Fe N O -","- C16 H17 Fe N O -","- C128 H136 Fe8 N8 O8 -","8","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0563","0.0498","","","0.129","0.1362","","","","","","1.062","","","","has coordinates","222293","2020-10-21","18:00:00",""
"4033719","8.5891","0.0001","15.2073","0.0002","30.365","0.0005","90","","90","","90","","3966.19","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O2.5 -","- C24 H26 Fe N O2.5 -","- C192 H208 Fe8 N8 O20 -","8","2","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","1.54184","CuKα","","0.0516","0.0429","","","0.0973","0.1019","","","","","","1.018","","","","has coordinates","222294","2020-10-21","18:00:00",""
"4033720","10.0109","0.0004","10.6354","0.0005","24.1206","0.0012","90","","90","","90","","2568.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Br Fe N O3 -","- C31 H28 Br Fe N O3 -","- C124 H112 Br4 Fe4 N4 O12 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.048","0.0363","","","0.0628","0.0665","","","","","","1.024","","","","has coordinates","222295","2020-10-21","18:00:00",""
"4033721","10.078","0.002","12.77","0.003","14.077","0.003","90","0.03","107.55","0.03","90","0.03","1727.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Karmakar, Ujjwal; Samanta, Rajarshi","Pd(II)-Catalyzed Direct Sulfonylation of Benzylamines Using Sodium Sulfinates.","The Journal of organic chemistry","2019","84","5","2850","2861","10.1021/acs.joc.8b03098","","","0.71073","MoKα","","0.0433","0.0341","","","0.091","0.0965","","","","","","1.037","","","","has coordinates","222296","2020-10-21","18:00:00",""
"4033722","6.964","0.0014","9.156","0.0018","31.185","0.006","90","","90","","90","","1988.4","0.7","100","0.2","100","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 N O10 S -","- C15 H31 N O10 S -","- C60 H124 N4 O40 S4 -","4","1","","Abayakoon, Palika; Epa, Ruwan; Petricevic, Marija; Bengt, Christopher; Mui, Janice W.-Y.; van der Peet, Phillip L.; Zhang, Yunyang; Lingford, James P.; White, Jonathan M.; Goddard-Borger, Ethan D; Williams, Spencer J.","Comprehensive Synthesis of Substrates, Intermediates, and Products of the Sulfoglycolytic Embden-Meyerhoff-Parnas Pathway.","The Journal of organic chemistry","2019","84","5","2901","2910","10.1021/acs.joc.9b00055","","","0.710878","Synchrotron","","0.0531","0.0465","","","0.1196","0.1276","","","","","","1.045","","","","has coordinates","222297","2020-10-21","18:00:00",""
"4033723","8.677","0.009","12.884","0.013","12.904","0.013","107.923","0.011","101.469","0.011","96.14","0.012","1323","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 B N3 O -","- C28 H32 B N3 O -","- C56 H64 B2 N6 O2 -","2","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.1199","0.0875","","","0.2026","0.2084","","","","","","3.928","","","","has coordinates","222298","2020-10-21","18:00:00",""
"4033724","8.6479","0.001","10.0827","0.0012","11.46","0.0014","70.946","0.001","77.107","0.001","77.538","0.001","909.54","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 B F N2 O -","- C22 H18 B F N2 O -","- C44 H36 B2 F2 N4 O2 -","2","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.051","0.0401","","","0.1233","0.136","","","","","","1.005","","","","has coordinates","222299","2020-10-21","18:00:00",""
"4033725","17.46","0.04","17.46","0.04","48.78","0.1","90","","90","","120","","12878","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H30 B F N2 -","- C28 H30 B F N2 -","- C504 H540 B18 F18 N36 -","18","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71076","MoKα","","0.0925","0.064","","","0.1689","0.1875","","","","","","1.032","","","","has coordinates","222300","2020-10-21","18:00:00",""
"4033726","9.0174","0.0009","17.3665","0.0017","11.4288","0.0011","90","","104.159","0.001","90","","1735.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B F N2 -","- C19 H20 B F N2 -","- C76 H80 B4 F4 N8 -","4","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.0656","0.0489","","","0.1443","0.1562","","","","","","1.424","","","","has coordinates","222301","2020-10-21","18:00:00",""
"4033727","8.9804","0.0004","9.2764","0.0004","10.1223","0.0004","75.653","0.002","85.6189","0.0019","69.2243","0.0018","763.76","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Sihag, Pinki; Jeganmohan, Masilamani","Regioselective Synthesis of Isocoumarins via Iridium(III)-Catalyzed Oxidative Cyclization of Aromatic Acids with Propargyl Alcohols.","The Journal of organic chemistry","2019","84","5","2699","2712","10.1021/acs.joc.8b03077","","","0.71073","MoKα","","0.0441","0.0367","","","0.0985","0.1061","","","","","","1.034","","","","has coordinates","222302","2020-10-21","18:00:00",""
"4033728","8.6696","0.0005","16.0188","0.0011","11.0129","0.0007","90","","106.132","0.003","90","","1469.21","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Sihag, Pinki; Jeganmohan, Masilamani","Regioselective Synthesis of Isocoumarins via Iridium(III)-Catalyzed Oxidative Cyclization of Aromatic Acids with Propargyl Alcohols.","The Journal of organic chemistry","2019","84","5","2699","2712","10.1021/acs.joc.8b03077","","","0.71073","MoKα","","0.0453","0.035","","","0.0854","0.0937","","","","","","1.045","","","","has coordinates","222303","2020-10-21","18:00:00",""
"4033729","9.5866","0.0005","24.3205","0.0011","9.5513","0.0004","90","","90","","90","","2226.89","0.18","205","","205","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","1","","Yang, Min; Li, Xiao-Lu; Wang, Jian-Rong; Lei, Xinxiang; Tang, Wei; Li, Xu-Wen; Sun, Han; Guo, Yue-Wei","Sarcomililate A, an Unusual Diterpenoid with Tricyclo[11.3.0.0<sup>2,16</sup>]hexadecane Carbon Skeleton, and Its Potential Biogenetic Precursors from the Hainan Soft Coral Sarcophyton mililatensis.","The Journal of organic chemistry","2019","84","5","2568","2576","10.1021/acs.joc.8b03020","","","1.54178","CuKα","","0.0428","0.0394","","","0.1099","0.1126","","","","","","1.063","","","","has coordinates","222304","2020-10-21","18:00:00",""
"4033730","22.736","0.004","8.2462","0.0011","8.0625","0.0011","90","","90","","90","","1511.6","0.4","93","2","93","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C64 H84 N20 -","4","0.25","","Watanabe, Hiroyuki; Tanaka, Kazuo; Chujo, Yoshiki","Independently Tuned Frontier Orbital Energy Levels of 1,3,4,6,9b-Pentaazaphenalene Derivatives by the Conjugation Effect.","The Journal of organic chemistry","2019","84","5","2768","2778","10.1021/acs.joc.8b03161","","","0.71075","MoKα","","0.1055","0.0702","","","0.1713","0.1899","","","","","","1.052","","","","has coordinates","222305","2020-10-21","18:00:00",""
"4033731","7.4745","0.0003","9.6998","0.0004","20.0096","0.001","80.839","0.004","85.378","0.004","67.764","0.004","1325.38","0.11","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 Cl N O6 Si -","- C26 H32 Cl N O6 Si -","- C52 H64 Cl2 N2 O12 Si2 -","2","2","","Chowdhury, Raghunath; Dubey, Akhil K.; Ghosh, Sunil K.","Ag(I)-Fesulphos-Catalyzed Enantioselective Synthesis of 3-Silylproline Derivatives.","The Journal of organic chemistry","2019","84","5","2404","2414","10.1021/acs.joc.8b02412","","x-ray","0.71073","MoKα","","0.1364","0.0947","","","0.2179","0.2732","","","","","","1.098","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033732","10.0953","0.0011","9.8179","0.001","17.3039","0.0018","90","","103.462","0.002","90","","1667.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O -","- C22 H15 N3 O -","- C88 H60 N12 O4 -","4","1","","Zhang, Yetong; Shao, Yinlin; Gong, Julin; Zhu, Jianghe; Cheng, Tianxing; Chen, Jiuxi","Selenium-Catalyzed Oxidative C-H Amination of ( E)-3-(Arylamino)-2-styrylquinazolin-4(3 H)-ones: A Metal-Free Synthesis of 1,2-Diarylpyrazolo[5,1- b]quinazolin-9(1 H)-ones.","The Journal of organic chemistry","2019","84","5","2798","2807","10.1021/acs.joc.8b03179","","","0.71073","MoKα","","0.0398","0.0363","","","0.1033","0.1056","","","","","","1.064","","","","has coordinates","222307","2020-10-21","18:00:00",""
"4033733","16.99","0.002","7.8789","0.001","31.404","0.005","90","","105.229","0.004","90","","4056.2","1","301","2","301.58","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 I N3 O -","- C23 H18 I N3 O -","- C184 H144 I8 N24 O8 -","8","1","","Zhang, Yetong; Shao, Yinlin; Gong, Julin; Zhu, Jianghe; Cheng, Tianxing; Chen, Jiuxi","Selenium-Catalyzed Oxidative C-H Amination of ( E)-3-(Arylamino)-2-styrylquinazolin-4(3 H)-ones: A Metal-Free Synthesis of 1,2-Diarylpyrazolo[5,1- b]quinazolin-9(1 H)-ones.","The Journal of organic chemistry","2019","84","5","2798","2807","10.1021/acs.joc.8b03179","","","0.71073","MoKα","","0.091","0.0562","","","0.1468","0.1731","","","","","","1.038","","","","has coordinates,has disorder","222308","2020-10-21","18:00:00",""
"4033734","7.326","0.002","9.882","0.003","13.685","0.004","106.563","0.004","92.469","0.004","107.893","0.004","894.4","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Shu, Wen-Ming; He, Jian-Xin; Zhang, Xun-Fang; Wang, Shuai; Wu, An-Xin","TFA-Mediated DMSO-Participant Sequential Oxidation/1,3-Dipolar Cycloaddition Cascade of Pyridinium Ylides for the Assembly of Indolizines.","The Journal of organic chemistry","2019","84","5","2962","2968","10.1021/acs.joc.8b02755","","","0.71073","MoKα","","0.0847","0.0562","","","0.1676","0.1914","","","","","","1.033","","","","has coordinates","222309","2020-10-21","18:00:00",""
"4033735","10.1007","0.0004","11.0329","0.0005","12.8754","0.0005","114.896","0.004","108.439","0.004","94.763","0.003","1195.08","0.11","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 B0.25 Cl0.25 F0.25 N2 O3 -","- C14.5 H8.5 B0.5 Cl F N O1.5 -","- C58 H34 B2 Cl4 F4 N4 O6 -","4","2","","Belmonte-Vázquez, José L; Avellanal-Zaballa, Edurne; Enríquez-Palacios, Ernesto; Cerdán, Luis; Esnal, Ixone; Bañuelos, Jorge; Villegas-Gómez, Clarisa; López Arbeloa, Iñigo; Peña-Cabrera, Eduardo","Synthetic Approach to Readily Accessible Benzofuran-Fused Borondipyrromethenes as Red-Emitting Laser Dyes.","The Journal of organic chemistry","2019","84","5","2523","2541","10.1021/acs.joc.8b02933","","","1.54184","CuKα","","0.1237","0.1175","","","0.3849","0.4047","","","","","","1.92","","","","has coordinates","222310","2020-10-21","18:00:00",""
"4033736","6.918","0.0004","13.6514","0.0008","11.8495","0.0007","90","","105.322","0.003","90","","1079.3","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Ghotekar, Ganesh S.; Shaikh, Aslam C.; Muthukrishnan, M.","Transition-Metal-Free Benzannulation of Tricarbonyl Derivatives with Arynes: Access to 1,3-Dinaphthol Precursors for the Synthesis of Rhodamine Dye Analogues.","The Journal of organic chemistry","2019","84","4","2269","2276","10.1021/acs.joc.8b02560","","","0.71073","MoKα","","0.0927","0.0775","","","0.1877","0.1977","","","","","","1.122","","","","has coordinates","222311","2020-10-21","18:00:00",""
"4033737","8.3641","0.0003","11.0149","0.0004","12.0162","0.0007","111.834","0.003","108.756","0.003","98.247","0.002","928.48","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 N3 O4 -","- C25 H12 N3 O4 -","- C50 H24 N6 O8 -","2","1","","Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Redox Cascades and Making of a C-C Bond: 1,2-Benzodiazinyl Radicals and a Copper Complex of a Benzodiazine.","The Journal of organic chemistry","2019","84","4","1871","1881","10.1021/acs.joc.8b02858","","","0.71073","MoKα","","0.094","0.0607","","","0.1499","0.166","","","","","","1.18","","","","has coordinates","222312","2020-10-21","18:00:00",""
"4033738","13.5237","0.0006","21.5116","0.001","16.3696","0.0007","90","","97.649","0.002","90","","4719.8","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C113 H82 Cu2 N4 O7 P4 -","- C113 H82 Cu2 N4 O7 P4 -","- C226 H164 Cu4 N8 O14 P8 -","2","0.5","","Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Redox Cascades and Making of a C-C Bond: 1,2-Benzodiazinyl Radicals and a Copper Complex of a Benzodiazine.","The Journal of organic chemistry","2019","84","4","1871","1881","10.1021/acs.joc.8b02858","","","0.71073","MoKα","","0.0612","0.0471","","","0.1232","0.1395","","","","","","1.172","","","","has coordinates,has disorder","222313","2020-10-21","18:00:00",""
"4033739","12.5381","0.0011","12.1234","0.0011","21.6325","0.0019","90","","90","","90","","3288.2","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 Cl N O -","- C19 H16 Cl N O -","- C152 H128 Cl8 N8 O8 -","8","2","","Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua","Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.","The Journal of organic chemistry","2019","84","4","2297","2306","10.1021/acs.joc.8b02889","","","0.71073","MoKα","","0.1494","0.0624","","","0.1065","0.1301","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033740","9.3074","0.0013","9.6932","0.0014","12.3596","0.0018","92.194","0.005","93.218","0.005","96.83","0.005","1104.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C56 H48 N4 O6 -","2","1","","Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua","Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.","The Journal of organic chemistry","2019","84","4","2297","2306","10.1021/acs.joc.8b02889","","","0.71073","MoKα","","0.0624","0.0437","","","0.1029","0.112","","","","","","1.013","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033741","9.1649","0.0013","10.6661","0.0015","19.06","0.003","90","","90","","90","","1863.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N3 O4 -","- C20 H17 F2 N3 O4 -","- C80 H68 F8 N12 O16 -","4","1","","Liu, Jin; Li, Qi; Cao, Zheng-Mao; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of Morita-Baylis-Hillman Acetates with 1,1-Enediamines or Heterocyclic Ketene Aminals: Synthesis of Highly Functionalized 2-Aminopyrroles.","The Journal of organic chemistry","2019","84","4","1797","1807","10.1021/acs.joc.8b02594","","","0.71073","MoKα","","0.0695","0.0394","","","0.0799","0.0897","","","","","","0.956","","","","has coordinates","222316","2020-10-21","18:00:00",""
"4033742","13.34","0.003","16.49","0.006","16.496","0.003","64.74","0.012","82","0.03","81.992","0.016","3236.9","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C136 H152 N24 O32 -","8","4","","Liu, Jin; Li, Qi; Cao, Zheng-Mao; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of Morita-Baylis-Hillman Acetates with 1,1-Enediamines or Heterocyclic Ketene Aminals: Synthesis of Highly Functionalized 2-Aminopyrroles.","The Journal of organic chemistry","2019","84","4","1797","1807","10.1021/acs.joc.8b02594","","","0.71073","MoKα","","0.1734","0.0731","","","0.2024","0.2284","","","","","","0.99","","","","has coordinates","222317","2020-10-21","18:00:00",""
"4033743","7.6014","0.0003","11.0951","0.0004","21.1486","0.001","90","","90","","90","","1783.64","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0688","0.0647","","0.1598","0.1549","0.1549","","","","","","0.9294","","","","has coordinates","222318","2020-10-21","18:00:00",""
"4033744","7.6061","0.0003","11.0989","0.0003","21.165","0.0007","90","","90","","90","","1786.74","0.1","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0532","0.0497","","","0.1324","0.135","","","","","","1.125","","","","has coordinates,has disorder","222319","2020-10-21","18:00:00",""
"4033745","14.984","0.003","7.7036","0.0014","15.893","0.002","90","","96.609","0.009","90","","1822.3","0.5","150","","150","","","","","","","","synthetic","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 F5 -","- C26 H13 F5 -","- C104 H52 F20 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0883","0.0504","","0.1099","0.0975","0.0975","","","","","","1","","","","has coordinates","222320","2020-10-21","18:00:00",""
"4033746","11.0004","0.0006","21.2412","0.0012","7.9354","0.0004","90","","105.702","0.002","90","","1785","0.17","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F8 -","- C26 H8 F8 -","- C104 H32 F32 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0608","0.0413","","0.1049","0.0962","0.0962","","","","","","1.0018","","","","has coordinates","222321","2020-10-21","18:00:00",""
"4033747","7.6059","0.0002","11.0958","0.0003","21.1436","0.0007","90","","90","","90","","1784.38","0.09","121","2","121","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0551","0.0495","","","0.1185","0.1216","","","","","","1.118","","","","has coordinates,has disorder","222322","2020-10-21","18:00:00",""
"4033748","8.4109","0.0004","10.9387","0.0004","28.7518","0.0013","90","","90","","90","","2645.3","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Si -","- C30 H34 Si -","- C120 H136 Si4 -","4","1","","Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz","Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.","The Journal of organic chemistry","2019","84","4","2358","2365","10.1021/acs.joc.8b03143","","x-ray","0.71073","MoKα","","0.0486","0.04","","","0.1028","0.1096","","","","","","1.046","","","","has coordinates","222323","2020-10-21","18:00:00",""
"4033749","7.1974","0.0005","8.1606","0.0007","16.5692","0.001","82.517","0.006","83.519","0.005","77.911","0.007","939.82","0.12","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 Si -","- C24 H22 Si -","- C48 H44 Si2 -","2","1","","Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz","Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.","The Journal of organic chemistry","2019","84","4","2358","2365","10.1021/acs.joc.8b03143","","x-ray","0.71073","MoKα","","0.0479","0.0388","","","0.0934","0.0986","","","","","","1.054","","","","has coordinates","222324","2020-10-21","18:00:00",""
"4033750","13.014","0.0019","6.953","0.0006","14.952","0.002","90","","95.305","0.012","90","","1347.2","0.3","210","2","210","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-hydroxy-2-methylbenzonitrile","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","1","","Sardarian, Ali Reza; Dindarloo Inaloo, Iman; Modarresi-Alam, Ali Reza; Kleinpeter, Erich; Schilde, Uwe","Metal-Free Regioselective Monocyanation of Hydroxy-, Alkoxy-, and Benzyloxyarenes by Potassium Thiocyanate and Silica Sulfuric Acid as a Cyanating Agent.","The Journal of organic chemistry","2019","84","4","1748","1756","10.1021/acs.joc.8b02191","","","0.71073","MoKα","","0.0363","0.0318","","","0.0915","0.0941","","","","","","1.081","","","","has coordinates","222325","2020-10-21","18:00:00",""
"4033751","7.5827","0.0012","18.634","0.003","11.1673","0.0018","90","","90","","90","","1577.9","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Wang, Quannan; Lou, Jiang; Huang, Zilong; Yu, Zhengkun","Rhodium(III)-Catalyzed Annulation of Acetophenone O-Acetyl Oximes with Allenoates through Arene C-H Activation: An Access to Isoquinolines.","The Journal of organic chemistry","2019","84","4","2083","2092","10.1021/acs.joc.8b03092","","","0.71073","MoKα","","0.1038","0.0663","","","0.182","0.2208","","","","","","1.027","","","","has coordinates,has disorder","222326","2020-10-21","18:00:00",""
"4033752","11.8124","0.0004","10.593","0.0004","11.7212","0.0004","90","","115.715","0.001","90","","1321.41","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Mane, Kishor D.; Mukherjee, Anagh; Vanka, Kumar; Suryavanshi, Gurunath","Metal-Free Regioselective Cross Dehydrogenative Coupling of Cyclic Ethers and Aryl Carbonyls.","The Journal of organic chemistry","2019","84","4","2039","2047","10.1021/acs.joc.8b03048","","","0.71073","MoKα","","0.0412","0.0384","","","0.1051","0.1076","","","","","","1.063","","","","has coordinates","222327","2020-10-21","18:00:00",""
"4033753","18.22","0.004","23.595","0.005","8.884","0.002","90","","90","","90","","3819.2","1.4","297","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H18 Cl F N2 -","- C24 H18 Cl F N2 -","- C192 H144 Cl8 F8 N16 -","8","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.1006","0.0448","","","0.1068","0.1252","","","","","","0.994","","","","has coordinates","222328","2020-10-21","18:00:00",""
"4033754","10.739","0.005","11.862","0.005","18.168","0.008","90","","96.767","0.008","90","","2298.2","1.8","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N2 O2 -","- C30 H19 Cl N2 O2 -","- C120 H76 Cl4 N8 O8 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.1238","0.0488","","","0.127","0.1808","","","","","","0.908","","","","has coordinates","222329","2020-10-21","18:00:00",""
"4033755","15.117","0.002","7.2213","0.0011","19.403","0.003","90","","96.412","0.002","90","","2104.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F N3 O2 -","- C25 H20 F N3 O2 -","- C100 H80 F4 N12 O8 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.0816","0.0444","","","0.1165","0.1359","","","","","","0.924","","","","has coordinates","222330","2020-10-21","18:00:00",""
"4033756","15.103","0.0005","12.2789","0.0003","16.4063","0.0012","90","","95.27","0.007","90","","3029.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B F2 N4 O3 -","- C32 H39 B F2 N4 O3 -","- C128 H156 B4 F8 N16 O12 -","4","1","","Didukh, Natalia O.; Yakubovskyi, Viktor P.; Zatsikha, Yuriy V.; Rohde, Gregory T.; Nemykin, Victor N.; Kovtun, Yuriy P.","Flexible BODIPY Platform That Offers an Unexpected Regioselective Heterocyclization Reaction toward Preparation of 2-Pyridone[ a]-Fused BODIPYs.","The Journal of organic chemistry","2019","84","4","2133","2147","10.1021/acs.joc.8b03119","","","1.54187","CuKα","","0.2199","0.0948","","","0.2034","0.2937","","","","","","0.918","","","","has coordinates","222331","2020-10-21","18:00:00",""
"4033757","10.2762","0.0006","12.0264","0.0005","15.3863","0.0009","90","","107.183","0.007","90","","1816.65","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F4 N O4 S -","- C20 H11 F4 N O4 S -","- C80 H44 F16 N4 O16 S4 -","4","1","","Shaikh, Aslam C.; Varma, Mokshada E.; Mule, Ravindra D.; Banerjee, Somsuvra; Kulkarni, Prasad P.; Patil, Nitin T.","Ionic Pyridinium-Oxazole Dyads: Design, Synthesis, and Application in Mitochondrial Imaging.","The Journal of organic chemistry","2019","84","4","1766","1777","10.1021/acs.joc.8b02528","","x-ray","0.71073","MoKα","","0.0627","0.0473","","","0.1105","0.1208","","","","","","1.016","","","","has coordinates","222332","2020-10-21","18:00:00",""
"4033758","17.6979","0.0007","14.683","0.0005","18.0759","0.0009","90","","102.211","0.004","90","","4590.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 N O -","- C26 H35 N O -","- C208 H280 N8 O8 -","8","1","","Lv, Xintong; Hu, Fangzhi; Duan, Kang; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian","Aromatization-Driven Cascade [1,5]-Hydride Transfer/Spirocyclization Promoted by Fluorinated Alcohols.","The Journal of organic chemistry","2019","84","4","1833","1844","10.1021/acs.joc.8b02754","","","1.54184","CuKα","","0.0859","0.0658","","","0.182","0.1988","","","","","","1.065","","","","has coordinates","222333","2020-10-21","18:00:00",""
"4033759","11.3002","0.0013","7.7195","0.0011","13.2835","0.0018","90","","104.288","0.005","90","","1122.9","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F N O3 -","- C14 H8 F N O3 -","- C56 H32 F4 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael","Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides.","The Journal of organic chemistry","2019","84","4","1898","1907","10.1021/acs.joc.8b02899","","x-ray","0.71073","MoKα","","0.0629","0.0429","","","0.099","0.1091","","","","","","1.027","","","","has coordinates","222334","2020-10-21","18:00:00",""
"4033760","10.8718","0.0014","8.0647","0.0012","13.948","0.002","90","","103.979","0.005","90","","1186.7","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael","Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides.","The Journal of organic chemistry","2019","84","4","1898","1907","10.1021/acs.joc.8b02899","","x-ray","0.71073","MoKα","","0.0906","0.0547","","","0.1204","0.1349","","","","","","1.071","","","","has coordinates","222335","2020-10-21","18:00:00",""
"4033761","13.232","0.002","9.075","0.001","15.852","0.003","90","","113.34","0.02","90","","1747.7","0.5","120","2","120.1","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(tert-Butylphenylphosphinoyl)-1,2,3,4-tetrahydro-naphthalen-1-ol","","- C20 H25 O2 P -","- C20 H25 O2 P -","- C80 H100 O8 P4 -","4","1","","Frynas, Sławomir; Łastawiecka, Elżbieta; Kozioł, Anna E; Flis, Anna; Pietrusiewicz, K Michał","[4 + 2] Cycloaddition of Vinylphosphine Oxides to α-Oxy- o-xylylene as a route to Phosphorylated Naphthyl and Biaryl Scaffolds.","The Journal of organic chemistry","2019","84","4","1818","1832","10.1021/acs.joc.8b02659","","x-ray","1.54184","CuKα","","0.0497","0.038","","","0.1005","0.1135","","","","","","1.116","","","","has coordinates","222336","2020-10-21","18:00:00",""
"4033762","8.151","0.001","11.163","0.001","12.884","0.001","92.9","0.02","108.43","0.02","108.82","0.02","1037.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-methyl-3'-(methylphenylphosphinoyl)-[1,2']binaphthalen","","- C28 H23 O P -","- C28 H23 O P -","- C56 H46 O2 P2 -","2","1","","Frynas, Sławomir; Łastawiecka, Elżbieta; Kozioł, Anna E; Flis, Anna; Pietrusiewicz, K Michał","[4 + 2] Cycloaddition of Vinylphosphine Oxides to α-Oxy- o-xylylene as a route to Phosphorylated Naphthyl and Biaryl Scaffolds.","The Journal of organic chemistry","2019","84","4","1818","1832","10.1021/acs.joc.8b02659","","x-ray","1.54184","CuKα","","0.0937","0.0694","","","0.2091","0.2639","","","","","","1.147","","","","has coordinates","222337","2020-10-21","18:00:00",""
"4033763","8.2011","0.0002","11.834","0.0002","12.8962","0.0002","103.174","0.001","97.585","0.001","100.164","0.001","1180.01","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","jslm423c","","","- C26 H36 O Sn -","- C26 H36 O Sn -","- C52 H72 O2 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0318","0.0264","","","0.0519","0.0533","","","","","","1.032","","","","has coordinates","222338","2020-10-21","18:00:00",""
"4033764","8.9654","0.0002","13.7149","0.0003","17.4475","0.0004","109.312","0.001","98.622","0.001","100.714","0.001","1936.94","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","jslm421c","","","- C22 H28 O Sn -","- C22 H28 O Sn -","- C88 H112 O4 Sn4 -","4","2","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0369","0.0252","","","0.0518","0.0551","","","","","","1.029","","","","has coordinates","222339","2020-10-21","18:00:00",""
"4033765","8.5486","0.0002","9.457","0.0002","13.5496","0.0004","104.987","0.002","102.052","0.002","105.996","0.002","969.81","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL155.19","","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C46 H48 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0577","0.0407","","","0.0932","0.0998","","","","","","1.063","","","","has coordinates","222340","2020-10-21","18:00:00",""
"4033766","6.3661","0.001","11.643","0.002","19.66","0.002","90","","92.225","0.001","90","","1456.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O2 Sn -","- C15 H22 O2 Sn -","- C60 H88 O8 Sn4 -","4","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0215","0.0181","","","0.04","0.0411","","","","","","1.071","","","","has coordinates","222341","2020-10-21","18:00:00",""
"4033767","6.496","0.005","9.534","0.005","14.051","0.005","80.55","0.005","85.234","0.005","88.217","0.005","855.3","0.9","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H22 O2 Sn -","- C19 H22 O2 Sn -","- C38 H44 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0374","0.0325","","","0.0828","0.0858","","","","","","1.067","","","","has coordinates","222342","2020-10-21","18:00:00",""
"4033768","9.8186","0.0007","14.6173","0.0007","17.1072","0.0011","90","","99.379","0.002","90","","2422.4","0.3","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","JSRL496.Rx","","","- C32 H28 O4 -","- C32 H28 O4 -","- C128 H112 O16 -","4","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0898","0.0495","","","0.1051","0.1227","","","","","","1.037","","","","has coordinates","222343","2020-10-21","18:00:00",""
"4033769","13.2165","0.0009","11.0383","0.0008","19.3944","0.0013","90","","99.147","0.004","90","","2793.4","0.3","100","2","100","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","Dimethyl trans-1,4-dimethyl-1,4-dihydronaphthalene-1,4-dicarboxylate","","- C16 H18 O4 -","- C16 H18 O4 -","- C128 H144 O32 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0551","0.0375","","","0.0852","0.0941","","","","","","1.044","","","","has coordinates","222344","2020-10-21","18:00:00",""
"4033770","7.8075","0.0002","8.5765","0.0002","13.6373","0.0004","76.778","0.001","79.794","0.002","70.097","0.001","830.93","0.04","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0672","0.0437","","","0.0982","0.1103","","","","","","1.049","","","","has coordinates","222345","2020-10-21","18:00:00",""
"4033771","8.7541","0.0005","14.8903","0.0009","8.3727","0.0004","90","","109.708","0.003","90","","1027.46","0.1","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","JSRL494.Rx","","","- C24 H28 O4 -","- C24 H28 O4 -","- C48 H56 O8 -","2","0.5","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0679","0.0462","","","0.1169","0.1279","","","","","","1.13","","","","has coordinates","222346","2020-10-21","18:00:00",""
"4033772","17.744","0.005","6.791","0.002","24.079","0.008","90","","90","","90","","2901.5","1.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 Sn -","- C15 H20 O2 Sn -","- C120 H160 O16 Sn8 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0458","0.0287","","","0.0591","0.0651","","","","","","1.032","","","","has coordinates","222347","2020-10-21","18:00:00",""
"4033773","7.8587","0.0002","8.7834","0.0002","12.8731","0.0003","75.532","0.001","81.538","0.001","85.221","0.002","850.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL147","","","- C19 H24 O2 Sn -","- C19 H24 O2 Sn -","- C38 H48 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.024","0.0213","","","0.0477","0.0485","","","","","","1.043","","","","has coordinates","222348","2020-10-21","18:00:00",""
"4033774","7.6944","0.0001","8.8116","0.0002","12.8831","0.0003","75.06","0.001","83.844","0.001","85.42","0.001","837.84","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL158","","","- C19 H22 O2 Sn -","- C19 H22 O2 Sn -","- C38 H44 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0299","0.0252","","","0.0535","0.0549","","","","","","1.036","","","","has coordinates","222349","2020-10-21","18:00:00",""
"4033775","18.42","0.02","7.773","0.01","27.24","0.04","90","","94.216","0.013","90","","3890","9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 N3 -","- C27 H19 N3 -","- C216 H152 N24 -","8","1","","Omura, Yuta; Tachi, Yoshimitsu; Okada, Keiji; Kozaki, Masatoshi","Synthesis and Properties of Nitrogen-Containing Pyrenes.","The Journal of organic chemistry","2019","84","4","2032","2038","10.1021/acs.joc.8b02962","","","0.71075","MoKα","","0.0929","0.0614","","","0.1476","0.1657","","","","","","1.093","","","","has coordinates","222350","2020-10-21","18:00:00",""
"4033776","8.085","0.0002","9.7409","0.0003","13.8853","0.0003","88.792","0.002","80.674","0.002","78.623","0.003","1057.81","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N5 -","- C26 H21 N5 -","- C52 H42 N10 -","2","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0472","0.0399","","","0.1046","0.1098","","","","","","1.032","","","","has coordinates","222351","2020-10-21","18:00:00",""
"4033777","11.3428","0.0006","11.4979","0.0005","17.2272","0.0007","90.152","0.003","93.927","0.004","97.454","0.004","2222.38","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","2","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0971","0.0721","","","0.2015","0.2213","","","","","","1.06","","","","has coordinates","222352","2020-10-21","18:00:00",""
"4033778","7.6472","0.0002","13.1667","0.0004","20.5771","0.0007","90","","90","","90","","2071.88","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C100 H72 F12 N12 O4 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1014","0.1042","","","","","","1.053","","","","has coordinates","222353","2020-10-21","18:00:00",""
"4033779","9.6497","0.0006","20.2453","0.001","9.9639","0.0006","90","","104.568","0.006","90","","1883.98","0.19","293","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","0.71073","MoKα","","0.1114","0.0589","","","0.1293","0.1529","","","","","","1.021","","","","has coordinates","222354","2020-10-21","18:00:00",""
"4033780","15.212","0.0006","9.2803","0.0003","10.3264","0.0003","90","","90","","90","","1457.8","0.09","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C64 H48 F12 N4 O8 -","4","1","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0492","0.0471","","","0.144","0.1492","","","","","","1.173","","","","has coordinates","222355","2020-10-21","18:00:00",""
"4033781","9.9466","0.001","11.2291","0.0005","11.3124","0.0006","90.294","0.004","112.968","0.009","96.803","0.006","1153.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N8 Pd -","- C28 H40 N8 Pd -","- C28 H40 N8 Pd -","1","0.5","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0636","0.0536","","","0.1566","0.1671","","","","","","1.083","","","","has coordinates","222356","2020-10-21","18:00:00",""
"4033782","11.132","0.0012","11.8213","0.0011","18.4912","0.0016","74.933","0.008","75.154","0.009","63.737","0.01","2078.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F6 N O2 -","- C23 H15 F6 N O2 -","- C92 H60 F24 N4 O8 -","4","2","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0909","0.0705","","","0.2049","0.2356","","","","","","1.054","","","","has coordinates","222357","2020-10-21","18:00:00",""
"4033783","7.3847","0.001","8.4879","0.0012","18.625","0.003","90","","100.016","0.002","90","","1149.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F3 N O2 -","- C12 H8 F3 N O2 -","- C48 H32 F12 N4 O8 -","4","1","","Xiao, Pan; Schlinquer, Claire; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel","Synthesis of α-Trifluoromethylacrylates by Ligand-Free Palladium-Catalyzed Mizoroki-Heck Reaction.","The Journal of organic chemistry","2019","84","4","2072","2082","10.1021/acs.joc.8b03085","","x-ray","0.71073","MoKα","","0.0614","0.0486","","","0.1269","0.1415","","","","","","1.036","","","","has coordinates","222358","2020-10-21","18:00:00",""
"4033784","11.0461","0.0018","17.852","0.003","8.7609","0.0014","90","","109.569","0.019","90","","1627.8","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.1674","0.0986","","","0.2474","0.2961","","","","","","1.193","","","","has coordinates","222359","2020-10-21","18:00:00",""
"4033785","20.1905","0.0009","15.9988","0.0006","9.2004","0.0003","90","","90","","90","","2971.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H28 N6 O3 -","- C36 H28 N6 O3 -","- C144 H112 N24 O12 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.0483","0.0417","","","0.0964","0.1015","","","","","","1.044","","","","has coordinates","222360","2020-10-21","18:00:00",""
"4033786","9.4306","0.001","19.0359","0.0018","8.6514","0.001","90","","111.783","0.013","90","","1442.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F3 N2 O2 -","- C18 H9 F3 N2 O2 -","- C72 H36 F12 N8 O8 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.0843","0.0556","","","0.121","0.1419","","","","","","1.035","","","","has coordinates","222361","2020-10-21","18:00:00",""
"4033787","8.5514","0.001","9.1709","0.0009","11.9633","0.0013","106.6","0.009","107.693","0.01","91.964","0.009","849.01","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C40 H36 N4 S2 -","2","1","","He, Yuan; Lou, Jiang; Wu, Kaikai; Wang, Hongmei; Yu, Zhengkun","Copper-Catalyzed Radical C-C Bond Cleavage and [4+1] Annulation Cascade of Cycloketone Oxime Esters with Enaminothiones.","The Journal of organic chemistry","2019","84","4","2178","2190","10.1021/acs.joc.8b03175","","","0.71073","MoKα","","0.0792","0.0458","","","0.103","0.1262","","","","","","1.03","","","","has coordinates","222362","2020-10-21","18:00:00",""
"4033788","8.2746","0.0005","10.5612","0.0006","25.1263","0.0015","90","","90","","90","","2195.8","0.2","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br2 N O S -","- C21 H25 Br2 N O S -","- C84 H100 Br8 N4 O4 S4 -","4","1","","Mendes, Joseane A.; Merino, Pedro; Soler, Tatiana; Salustiano, Eduardo J.; Costa, Paulo R. R.; Yus, Miguel; Foubelo, Francisco; Buarque, Camilla D.","Enantioselective Synthesis, DFT Calculations, and Preliminary Antineoplastic Activity of Dibenzo 1-Azaspiro[4.5]decanes on Drug-Resistant Leukemias.","The Journal of organic chemistry","2019","84","4","2219","2233","10.1021/acs.joc.8b03203","","","0.71073","MoKα","","0.056","0.0379","","","0.0899","0.0962","","","","","","1.005","","","","has coordinates","222363","2020-10-21","18:00:00",""
"4033789","22.149","0.002","5.7598","0.0005","23.403","0.002","90","","112.289","0.003","90","","2762.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Br3 O3 S -","- C28 H17 Br3 O3 S -","- C112 H68 Br12 O12 S4 -","4","1","","Liu, Shuai; Chen, Ke; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Generation of 1,3-Dimethylene-Substituted Isobenzofurans via Pd(II)-Catalyzed Selective Oxo-cyclization/SO<sub>2</sub> Insertion Cascade of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","84","4","1964","1971","10.1021/acs.joc.8b02934","","","0.71073","MoKα","","0.2223","0.1139","","","0.2933","0.3371","","","","","","1.083","","","","has coordinates","222364","2020-10-21","18:00:00",""
"4033790","3.9525","0.0002","14.699","0.0008","24.6043","0.0014","90","","94.082","0.005","90","","1425.83","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F O3 -","- C18 H17 F O3 -","- C72 H68 F4 O12 -","4","1","","Carral-Menoyo, Asier; Misol, Alexander; Gómez-Redondo, Marcos; Sotomayor, Nuria; Lete, Esther","Palladium(II)-Catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes.","The Journal of organic chemistry","2019","84","4","2048","2060","10.1021/acs.joc.8b03051","","x-ray","1.54184","CuKα","","0.0801","0.0688","","","0.176","0.182","","","","","","1.16","","","","has coordinates","222365","2020-10-21","18:00:00",""
"4033791","24.3624","0.0004","9.6996","0.0001","17.2506","0.0003","90","","90","","90","","4076.41","0.11","290","2","290","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C22 H23 B2 Cu F8.67 N5 -","- C22 H23 B2 Cu F8.66667 N5 -","- C132 H138 B12 Cu6 F52 N30 -","6","1.5","","Przypis, Lukasz; Walczak, Krzysztof Zdzislaw","Copper(II)-Catalyzed Iodinations of Carbazoles: Access to Functionalized Carbazoles.","The Journal of organic chemistry","2019","84","4","2287","2296","10.1021/acs.joc.8b02821","","","0.71073","MoKα","","0.0507","0.0466","","","0.1337","0.1393","","","","","","1.045","","","","has coordinates","222366","2020-10-21","18:00:00",""
"4033792","5.8286","0.0002","17.7357","0.0005","15.3923","0.0005","90","","91.769","0.001","90","","1590.41","0.09","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl3 N -","- C17 H16 Cl3 N -","- C68 H64 Cl12 N4 -","4","1","","Xu, Changming; Zhu, Zhaobin; Wang, Yongchang; Jing, Zhiguo; Gao, Bin; Zhao, Li; Dong, Wen-Kui","Oxidative α-Trichloromethylation of Tertiary Amines: An Entry to α-Amino Acid Esters.","The Journal of organic chemistry","2019","84","4","2234","2242","10.1021/acs.joc.8b03238","","","1.54178","CuKα","","0.0715","0.0695","","","0.1726","0.1765","","","","","","1.096","","","","has coordinates,has disorder","222367","2020-10-21","18:00:00",""
"4033793","5.9898","0.0003","13.5958","0.0006","18.3204","0.0009","90","","94.635","0.001","90","","1487.06","0.12","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl3 N -","- C16 H14 Cl3 N -","- C64 H56 Cl12 N4 -","4","1","","Xu, Changming; Zhu, Zhaobin; Wang, Yongchang; Jing, Zhiguo; Gao, Bin; Zhao, Li; Dong, Wen-Kui","Oxidative α-Trichloromethylation of Tertiary Amines: An Entry to α-Amino Acid Esters.","The Journal of organic chemistry","2019","84","4","2234","2242","10.1021/acs.joc.8b03238","","","0.71073","MoKα","","0.0464","0.0443","","","0.111","0.1127","","","","","","1.07","","","","has coordinates","222368","2020-10-21","18:00:00",""
"4033794","12.0189","0.001","9.9953","0.0008","13.3769","0.0011","90","","90.839","0.002","90","","1606.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C68 H68 N4 O16 S4 -","4","1","","Wang, Li-Jing; Chen, Jia-Min; Dong, Wei; Hou, Cong-Ying; Pang, Mingming; Jin, Wen-Bo; Dong, Fu-Gui; Xu, Zhi-Dong; Li, Wei","Synthesis of Sulfonylated Lactams by Copper-Mediated Aminosulfonylation of 2-Vinylbenzamides with Sodium Sulfinates.","The Journal of organic chemistry","2019","84","4","2330","2338","10.1021/acs.joc.8b03002","","","0.71073","MoKα","","0.0924","0.0443","","","0.1013","0.1216","","","","","","1.018","","","","has coordinates","222369","2020-10-21","18:00:00",""
"4033795","7.9582","0.0004","19.5408","0.0008","21.7073","0.0013","90","","94.838","0.005","90","","3363.7","0.3","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H33 N2 O3 -","- C46 H33 N2 O3 -","- C184 H132 N8 O12 -","4","2","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0831","0.0767","","","0.208","0.2205","","","","","","1.049","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033796","13.9994","0.001","15.5034","0.0011","15.4665","0.0013","90","","90","","90","","3356.8","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C168 H152 N16 O24 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0509","0.0467","","","0.1193","0.1243","","","","","","1.034","","","","has coordinates,has disorder","222371","2020-10-21","18:00:00",""
"4033797","10.928","0.0002","12.6925","0.0002","11.194","0.0002","90","","106.253","0.002","90","","1490.6","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 O3 -","- C41 H28 N4 O3 -","- C82 H56 N8 O6 -","2","1","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","0.71073","MoKα","","0.0609","0.0453","","","0.0801","0.0866","","","","","","1.057","","","","has coordinates","222372","2020-10-21","18:00:00",""
"4033798","24.08","0.002","8.0155","0.0005","20.6822","0.0018","90","","117.408","0.011","90","","3543.8","0.6","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 N4 O2 -","- C48 H38 N4 O2 -","- C192 H152 N16 O8 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0505","0.0445","","","0.1192","0.1254","","","","","","1.022","","","","has coordinates","222373","2020-10-21","18:00:00",""
"4033799","13.225","0.0011","9.6562","0.0006","10.7321","0.0009","90","","110.028","0.009","90","","1287.64","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zym","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Zhu, Yi-Ming; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Palladium Catalyzed Insertion Reaction of Isocyanides with 3-Arylisoxazol-5(4<i>H</i>)-ones: Synthesis of 4-Aminomethylidene Isoxazolone Derivates.","The Journal of organic chemistry","2019","84","17","11007","11013","10.1021/acs.joc.9b01585","","","1.54184","CuKα","","0.0757","0.0571","","","0.1522","0.1865","","","","","","1.088","","","","has coordinates","222374","2020-10-21","18:00:00",""
"4033800","10.2417","0.0018","10.911","0.002","20.105","0.003","90","","90","","90","","2246.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F N2 O4 -","- C26 H23 F N2 O4 -","- C104 H92 F4 N8 O16 -","4","1","","Mishra, Manmath; De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereospecific Copper(II)-Catalyzed Tandem Ring Opening/Oxidative Alkylation of Donor-Acceptor Cyclopropanes with Hydrazones: Synthesis of Tetrahydropyridazines.","The Journal of organic chemistry","2019","84","17","10901","10910","10.1021/acs.joc.9b01506","","","0.71073","MoKα","","0.1253","0.0608","","","0.1415","0.1802","","","","","","0.999","","","","has coordinates","222376","2020-10-21","18:00:00",""
"4033801","6.8189","0.0002","11.2964","0.0002","11.9414","0.0002","112.704","0.001","97.567","0.001","90.137","0.001","839.74","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O -","- C21 H28 O -","- C42 H56 O2 -","2","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","1.54178","CuKα","","0.0473","0.041","","","0.1149","0.1175","","","","","","1.132","","","","has coordinates","222377","2020-10-21","18:00:00",""
"4033802","7.6784","0.001","20.557","0.003","24.693","0.004","90","","90","","90","","3897.7","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H34 O -","- C24 H34 O -","- C192 H272 O8 -","8","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0739","0.0548","","","0.1354","0.1448","","","","","","1.035","","","","has coordinates","222378","2020-10-21","18:00:00",""
"4033803","6.873","0.003","10.713","0.004","12.301","0.005","77.259","0.006","74.195","0.005","87.039","0.006","850","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0458","0.0436","","","0.1194","0.1221","","","","","","1.011","","","","has coordinates","222379","2020-10-21","18:00:00",""
"4033804","13.7963","0.0018","18.445","0.003","9.0679","0.0012","90","","102.076","0.002","90","","2256.5","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","compound 3o","","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","1","","Mari, Giacomo; Ciccolini, Cecilia; De Crescentini, Lucia; Favi, Gianfranco; Santeusanio, Stefania; Mancinelli, Michele; Mantellini, Fabio","Metal and Oxidant-Free Brønsted Acid-Mediated Cascade Reaction to Substituted Benzofurans.","The Journal of organic chemistry","2019","84","17","10814","10824","10.1021/acs.joc.9b01363","","","0.71073","MoKα","","0.0675","0.055","","","0.1243","0.1309","","","","","","1.082","","","","has coordinates","222380","2020-10-21","18:00:00",""
"4033805","13.0572","0.0003","13.388","0.0004","15.1573","0.0004","100.923","0.001","100.563","0.001","114.123","0.001","2271.69","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","BAB1","","","- C57 H60 O5 -","- C57 H60 O5 -","- C114 H120 O10 -","2","1","","Samanta, Debabrata; Singh, Ashish; Verma, Parul; Bhattacharyya, Sohini; Roy, Syamantak; Maji, Tapas Kumar","Photoswitchable J-Aggregated Processable Organogel by Integrating a Photochromic Acceptor.","The Journal of organic chemistry","2019","84","17","10946","10952","10.1021/acs.joc.9b01555","","","0.71073","MoKα","","0.2968","0.135","","","0.3025","0.4002","","","","","","0.999","","","","has coordinates","222381","2020-10-21","18:00:00",""
"4033806","17.272","0.003","7.6066","0.0011","16.875","0.003","90","","94.224","0.002","90","","2211","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl Ir N3 O -","- C24 H29 Cl Ir N3 O -","- C96 H116 Cl4 Ir4 N12 O4 -","4","1","","Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito","Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand.","The Journal of organic chemistry","2019","84","17","10962","10977","10.1021/acs.joc.9b01565","","","0.71075","MoKα","","0.0455","0.0351","","","0.0751","0.0797","","","","","","1.06","","","","has coordinates","222382","2020-10-21","18:00:00",""
"4033807","9.4429","0.0016","9.4429","0.0016","24.644","0.004","90","","90","","90","","2197.5","0.6","93","","93","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 N2 O2 -","- C10 H18 N2 O2 -","- C80 H144 N16 O16 -","8","1","","Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito","Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand.","The Journal of organic chemistry","2019","84","17","10962","10977","10.1021/acs.joc.9b01565","","","0.71075","MoKα","","0.0685","0.0618","","","0.152","0.1593","","","","","","1.042","","","","has coordinates","222382","2020-10-21","18:00:00",""
"4033808","6.851","0.005","8.263","0.005","13.822","0.005","91.426","0.005","96.359","0.005","109.445","0.005","731.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N O2 -","- C19 H14 N O2 -","- C38 H28 N2 O4 -","2","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1359","0.0805","","","0.2046","0.2663","","","","","","1.028","","","","has coordinates","222383","2020-10-21","18:00:00",""
"4033809","8.8279","0.0004","11.0895","0.0005","16.9907","0.0007","90","","93.943","0.002","90","","1659.4","0.13","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.0441","0.0375","","","0.0911","0.0966","","","","","","1.0614","","","","has coordinates","222384","2020-10-21","18:00:00",""
"4033810","12.6894","0.0018","9.7926","0.0015","12.566","0.005","90","","94.98","0.02","90","","1555.6","0.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1147","0.0716","","","0.1703","0.2288","","","","","","1.1542","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033811","6.298","0.003","19.536","0.01","14.791","0.008","90","","97.6","0.006","90","","1803.9","1.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DMP","","- C20 H18 N O4 P -","- C20 H18 N O4 P -","- C80 H72 N4 O16 P4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1934","0.0794","","","0.1968","0.2468","","","","","","1.0989","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033812","15.2134","0.0002","13.9926","0.00017","16.96049","0.00017","90","","98.3027","0.0012","90","","3572.62","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9-phosphatriptycene tris(pentafluorophenyl)borane complex","9-phosphatriptycene tris(pentafluorophenyl)borane complex","","- C37.71 H14.42 B Cl1.42 F15 P -","- C37.711 H14.422 B Cl1.422 F15 P -","- C150.844 H57.688 B4 Cl5.688 F60 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0562","0.0429","","","0.1133","0.1243","","","","","","1.033","","","","has coordinates,has disorder","222387","2020-10-21","18:00:00",""
"4033813","15.031","0.0005","8.2009","0.0002","13.1609","0.0004","90","","120.422","0.004","90","","1398.95","0.09","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0335","0.0283","","","0.0731","0.0768","","","","","","1.015","","","","has coordinates,has disorder","222388","2020-10-21","18:00:00",""
"4033814","14.8144","0.001","8.1417","0.0003","13.0081","0.0009","90","","120.325","0.01","90","","1354.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0371","0.034","","","0.0806","0.0831","","","","","","1.062","","","","has coordinates,has disorder","222389","2020-10-21","18:00:00",""
"4033815","13.4876","0.0002","13.4876","0.0002","57.4638","0.0016","90","","90","","120","","9053","0.3","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","","- C38 H28 B F4 P -","- C38 H28 B F4 P -","- C456 H336 B12 F48 P12 -","12","0.333333","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0717","0.0648","","","0.2026","0.2122","","","","","","1.079","","","","has coordinates","222390","2020-10-21","18:00:00",""
"4033816","25.0052","0.0002","8.40856","0.00008","20.01476","0.00018","90","","94.2309","0.0008","90","","4196.79","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9-thionobenzoate-10-phosphatriptycene","9-thionobenzoate-10-phosphatriptycene","","- C26 H17 O2 P S -","- C26 H17 O2 P S -","- C208 H136 O16 P8 S8 -","8","2","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0382","0.0366","","","0.0937","0.0948","","","","","","1.104","","","","has coordinates","222391","2020-10-21","18:00:00",""
"4033817","15.6241","0.0005","17.7725","0.0007","8.396","0.0005","90","","90","","90","","2331.4","0.18","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-(2-hydroxyphenyl)-7-trifluoromethyl-2,3-dihydro-1H-1,4-diazepine","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C96 H88 F24 N16 O8 -","8","1","","Rocha, Mariana; Gil, Diego M.; Echeverría, Gustavo A; Piro, Oscar E.; Jios, Jorge L.; Ulic, Sonia E.","Enol-imino-Keto-enamine Tautomerism in a Diazepine Derivative: How Decisive Are the Intermolecular Interactions in the Equilibrium?","The Journal of organic chemistry","2019","84","17","11042","11053","10.1021/acs.joc.9b01533","","x-ray","0.71073","MoKα","","0.0929","0.0496","","","0.1021","0.1219","","","","","","1.034","","","","has coordinates,has disorder","222392","2020-10-21","18:00:00",""
"4033818","11.9684","0.0002","12.1357","0.0003","11.6184","0.0003","90","","95.415","0.002","90","","1679.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C68 H104 O12 S4 -","4","1","","Shimoda, Kazuma; Yamaoka, Yousuke; Yoo, Dongeun; Yamada, Ken-Ichi; Takikawa, Hiroshi; Takasu, Kiyosei","Total Syntheses of Allelopathic 4-Oxyprotoilludanes, Melleolides, and Echinocidins.","The Journal of organic chemistry","2019","84","17","11014","11024","10.1021/acs.joc.9b01589","","x-ray","1.54184","CuKα","","0.0566","0.0522","","","0.1381","0.1402","","","","","","1.157","","","","has coordinates","222393","2020-10-21","18:00:00",""
"4033819","8.3723","0.0006","9.9567","0.0007","10.2048","0.0006","94.494","0.005","102.935","0.005","99.045","0.005","813.06","0.1","93","","93","","","","","","","","","4","P -1","-P 1","2","","KS","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C34 H52 O6 S2 -","2","1","","Shimoda, Kazuma; Yamaoka, Yousuke; Yoo, Dongeun; Yamada, Ken-Ichi; Takikawa, Hiroshi; Takasu, Kiyosei","Total Syntheses of Allelopathic 4-Oxyprotoilludanes, Melleolides, and Echinocidins.","The Journal of organic chemistry","2019","84","17","11014","11024","10.1021/acs.joc.9b01589","","x-ray","1.54184","CuKα","","0.068","0.0644","","","0.1789","0.1825","","","","","","1.082","","","","has coordinates","222394","2020-10-21","18:00:00",""
"4033820","6.5477","0.0001","12.0793","0.0001","20.9684","0.0003","90","","91.419","0.001","90","","1657.92","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.42 H2.06 N0.12 O0.36 -","- C2.42424 H2.06061 N0.121212 O0.363636 -","- C80 H68 N4 O12 -","33","16.5","","Liang, Hao; Zhou, Xiaotong; Zheng, Liyao; Wang, Jun","Enantioselective Organocatalytic Desymmetrization of Cyclopentene-1,3-diones through Formal C(sp<sup>2</sup>)-H Amidation.","The Journal of organic chemistry","2019","84","17","11306","11315","10.1021/acs.joc.9b01678","","","1.54178","CuKα","","0.0364","0.0345","","","0.0914","0.0935","","","","","","1.021","","","","has coordinates","222395","2020-10-21","18:00:00",""
"4033821","10.9009","0.0004","10.9293","0.0005","11.467","0.0006","70.334","0.004","64.617","0.004","85.903","0.003","1158.02","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl N2 O2 S -","- C28 H21 Cl N2 O2 S -","- C56 H42 Cl2 N4 O4 S2 -","2","1","","Liu, Wei; Zhang, Yu; He, Jiaming; Yu, Yue; Yuan, Jiajun; Ye, Xiaoyi; Zhang, Ziwu; Xue, Liang; Cao, Hua","Transition-Metal-Free Three-Component Reaction: Additive Controlled Synthesis of Sulfonylated Imidazoles.","The Journal of organic chemistry","2019","84","17","11348","11358","10.1021/acs.joc.9b01818","","x-ray","0.71073","MoKα","","0.0458","0.0388","","","0.0899","0.095","","","","","","1.008","","","","has coordinates","222396","2020-10-21","18:00:00",""
"4033822","8.4805","0.0005","22.3313","0.0013","13.9538","0.0008","90","","105.882","0.007","90","","2541.7","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O2 S -","- C31 H28 N2 O2 S -","- C124 H112 N8 O8 S4 -","4","1","","Liu, Wei; Zhang, Yu; He, Jiaming; Yu, Yue; Yuan, Jiajun; Ye, Xiaoyi; Zhang, Ziwu; Xue, Liang; Cao, Hua","Transition-Metal-Free Three-Component Reaction: Additive Controlled Synthesis of Sulfonylated Imidazoles.","The Journal of organic chemistry","2019","84","17","11348","11358","10.1021/acs.joc.9b01818","","x-ray","0.71073","MoKα","","0.0632","0.0508","","","0.1182","0.1267","","","","","","1.019","","","","has coordinates","222397","2020-10-21","18:00:00",""
"4033823","12.7943","0.0012","15.5553","0.0013","17.9512","0.0017","90","","104.141","0.002","90","","3464.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl4 Cu2 N4 O12 S4 -","- C20 H44 Cl4 Cu2 N4 O12 S4 -","- C80 H176 Cl16 Cu8 N16 O48 S16 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0625","0.0397","","","0.0824","0.0998","","","","","","1.048","","","","has coordinates","222398","2020-10-21","18:00:00",""
"4033824","8.8079","0.0007","10.9869","0.001","31.112","0.003","90","","90","","90","","3010.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 N2 S2 -","- C10 H24 Cl2 N2 S2 -","- C80 H192 Cl16 N16 S16 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.04","0.0305","","","0.073","0.0778","","","","","","1.058","","","","has coordinates","222399","2020-10-21","18:00:00",""
"4033825","16.7399","0.0007","12.0024","0.0005","27.0312","0.0012","90","","90","","90","","5431.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O4 S4 -","- C24 H34 N2 O4 S4 -","- C192 H272 N16 O32 S32 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54178","CuKα","","0.0467","0.0431","","","0.1197","0.1227","","","","","","1.042","","","","has coordinates","222400","2020-10-21","18:00:00",""
"4033826","12.1657","0.0006","17.8449","0.0009","8.3153","0.0004","90","","90","","90","","1805.22","0.15","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C17 H22 N2 O4 S2 -","- C17 H22 N2 O4 S2 -","- C68 H88 N8 O16 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0223","0.0217","","","0.0594","0.06","","","","","","1.012","","","","has coordinates","222401","2020-10-21","18:00:00",""
"4033827","14.0671","0.001","9.6321","0.0007","13.0463","0.0009","90","","90","","90","","1767.7","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cl2 Cu N2 O8 S2 -","- C10 H22 Cl2 Cu N2 O8 S2 -","- C40 H88 Cl8 Cu4 N8 O32 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.1263","0.1251","","","0.3006","0.301","","","","","","1.326","","","","has coordinates,has disorder","222402","2020-10-21","18:00:00",""
"4033828","18.4619","0.0012","7.3383","0.0005","15.6731","0.0009","90","","93.296","0.003","90","","2119.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl N2 O2 S3 -","- C17 H29 Cl N2 O2 S3 -","- C68 H116 Cl4 N8 O8 S12 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0559","0.0403","","","0.1064","0.1162","","","","","","1.057","","","","has coordinates","222403","2020-10-21","18:00:00",""
"4033829","11.3988","0.0006","7.7257","0.0005","24.0175","0.0014","90","","101.992","0.004","90","","2068.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O5 S2 -","- C19 H26 N2 O5 S2 -","- C76 H104 N8 O20 S8 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0769","0.0553","","","0.1402","0.1519","","","","","","1.063","","","","has coordinates","222404","2020-10-21","18:00:00",""
"4033830","5.296","0.002","22.476","0.014","19.7","0.02","90","","92.09","0.03","90","","2343","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl2 N2 O4 S2 -","- C21 H28 Cl2 N2 O4 S2 -","- C84 H112 Cl8 N8 O16 S8 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54184","CuKα","","0.0429","0.0395","","","0.1016","0.1043","","","","","","1.008","","","","has coordinates","222405","2020-10-21","18:00:00",""
"4033831","11.1529","0.0009","7.5017","0.0004","23.3606","0.0014","90","","103.719","0.006","90","","1898.7","0.2","272","3","272","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl I N4 O2 -","- C18 H16 Cl I N4 O2 -","- C72 H64 Cl4 I4 N16 O8 -","4","1","","Wu, Danhua; Cui, Shuang-Shuang; Lin, Yajun; Li, Lin; Yu, Wei","Visible Light-Driven Azidation/Difunctionalization of Vinyl Arenes with Azidobenziodoxole under Copper Catalysis.","The Journal of organic chemistry","2019","84","17","10978","10989","10.1021/acs.joc.9b01569","","x-ray","0.71073","MoKα","","0.0777","0.0457","","","0.0735","0.0906","","","","","","1.031","","","","has coordinates","222406","2020-10-21","18:00:00",""
"4033832","7.3105","0.0006","19.3271","0.0015","15.1127","0.001","90","","90","","90","","2135.3","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Nitisha, ?; Venkatakrishnan, Parthasarathy","Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.","The Journal of organic chemistry","2019","84","17","10679","10689","10.1021/acs.joc.9b01223","","","0.71073","MoKα","","0.0797","0.0558","","","0.1451","0.1565","","","","","","1.152","","","","has coordinates","222407","2020-10-21","18:00:00",""
"4033833","8.2181","0.0007","18.9531","0.0017","12.315","0.0011","90","","97.258","0.004","90","","1902.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Nitisha, ?; Venkatakrishnan, Parthasarathy","Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.","The Journal of organic chemistry","2019","84","17","10679","10689","10.1021/acs.joc.9b01223","","","0.71073","MoKα","","0.0465","0.0361","","","0.0875","0.0972","","","","","","1.042","","","","has coordinates","222408","2020-10-21","18:00:00",""
"4033834","9.9108","0.0006","23.4525","0.0013","7.862","0.0005","90","","90.494","0.006","90","","1827.32","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","Hanchate, Vinayak; Kumar, Anil; Prabhu, Kandikere Ramaiah","Synthesis of Furanone-Fused 1,2-Benzothiazine by Rh(III)-Catalyzed C-H Activation: Regioselective Oxidative Annulation Leading to in Situ Lactonization in One Pot.","The Journal of organic chemistry","2019","84","17","11335","11342","10.1021/acs.joc.9b01899","","","0.71073","MoKα","","0.0954","0.0631","","","0.1432","0.1676","","","","","","1.044","","","","has coordinates","222410","2020-10-21","18:00:00",""
"4033835","9.6064","0.001","14.2833","0.0014","28.396","0.003","90","","95.5588","0.0019","90","","3877.9","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Cl6 N3 O2 -","- C39 H35 Cl6 N3 O2 -","- C156 H140 Cl24 N12 O8 -","4","1","","Janatian Ghazvini, Helya; Müller, Thomas J J; Rominger, Frank; Balalaie, Saeed","Highly Substituted Medium-Sized Ring-Fused Azocinoquinoline Scaffolds by Post-Ugi-4CR Reductive Carbopalladation Cyclization.","The Journal of organic chemistry","2019","84","17","10740","10748","10.1021/acs.joc.9b01269","","","0.71073","MoKα","","0.1072","0.0512","","","0.0991","0.1215","","","","","","1.012","","","","has coordinates","222411","2020-10-21","18:00:00",""
"4033836","10.439","0.002","15.438","0.004","15.996","0.004","82.84","0.006","80.342","0.006","86.328","0.006","2519.1","1","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H24 S -","- C38 H24 S -","- C152 H96 S4 -","4","2","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0586","0.0414","","","0.0938","0.1035","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033837","7.9822","0.0007","11.814","0.0009","13.1933","0.0015","94.717","0.003","97.068","0.003","98.978","0.002","1213","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H16 F4 S -","- C36 H16 F4 S -","- C72 H32 F8 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0745","0.0494","","","0.1231","0.1474","","","","","","1.017","","","","has coordinates","222413","2020-10-21","18:00:00",""
"4033838","8.0086","0.0004","10.7969","0.0006","13.8874","0.0008","96.808","0.002","92.418","0.002","104.746","0.002","1149.8","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 F2 S -","- C36 H18 F2 S -","- C72 H36 F4 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0427","0.0358","","","0.0911","0.096","","","","","","1.033","","","","has coordinates","222414","2020-10-21","18:00:00",""
"4033839","8.1373","0.0013","11.352","0.002","14.302","0.002","81.158","0.005","89.842","0.005","73.439","0.004","1250.1","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 Cl2 S -","- C36 H18 Cl2 S -","- C72 H36 Cl4 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.1534","0.0894","","","0.1619","0.1872","","","","","","1.064","","","","has coordinates","222415","2020-10-21","18:00:00",""
"4033840","12.9908","0.0009","8.3804","0.0006","21.0991","0.0015","90","","90.996","0.002","90","","2296.7","0.3","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 S -","- C36 H20 S -","- C144 H80 S4 -","4","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0651","0.0445","","","0.1018","0.1131","","","","","","1.017","","","","has coordinates","222416","2020-10-21","18:00:00",""
"4033841","7.6318","0.0013","11.923","0.002","23.114","0.004","90","","90","","90","","2103.2","0.6","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","2","","Caleffi, Guilherme S.; Larrañaga, Olatz; Ferrándiz-Saperas, Marcos; Costa, Paulo R. R.; Nájera, Carmen; de Cózar, Abel; Cossío, Fernando P; Sansano, José M","Switching Diastereoselectivity in Catalytic Enantioselective (3+2) Cycloadditions of Azomethine Ylides Promoted by Metal Salts and Privileged Segphos-Derived Ligands.","The Journal of organic chemistry","2019","84","17","10593","10605","10.1021/acs.joc.9b00267","","","0.71073","MoKα","","0.1148","0.0544","","","0.0849","0.1044","","","","","","0.957","","","","has coordinates","222417","2020-10-21","18:00:00",""
"4033842","8.4944","0.0009","8.9647","0.001","32.731","0.004","88.303","0.004","83.461","0.004","79.038","0.004","2431","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 O2 P -","- C31 H27 O2 P -","- C93 H81 O6 P3 -","3","3","","Jin, Shengnan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","The Silver-Promoted Phosphonation/Alkynylation of Alkene Proceeding with Radical 1,2-Alkynyl Migration.","The Journal of organic chemistry","2019","84","17","11177","11185","10.1021/acs.joc.9b01088","","","1.34139","GaKα","","0.1561","0.1098","","","0.2596","0.2904","","","","","","1.236","","","","has coordinates","222418","2020-10-21","18:00:00",""
"4033843","20.3439","0.0004","8.323","0.0002","22.9542","0.0005","90","","90","","90","","3886.66","0.15","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C192 H160 O48 -","8","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0434","0.0378","","","0.094","0.1","","","","","","1.075","","","","has coordinates","222419","2020-10-21","18:00:00",""
"4033844","16.8387","0.0004","6.78","0.0002","15.4079","0.0004","90","","106.205","0.003","90","","1689.18","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O5 -","- C22 H18 O5 -","- C88 H72 O20 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0557","0.046","","","0.1211","0.1291","","","","","","1.077","","","","has coordinates","222420","2020-10-21","18:00:00",""
"4033845","20.7497","0.0005","9.0408","0.0002","10.2972","0.0003","90","","99.14","0.003","90","","1907.17","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C96 H80 O24 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0476","0.0383","","","0.0939","0.1007","","","","","","1.027","","","","has coordinates","222421","2020-10-21","18:00:00",""
"4033846","8.1027","0.0001","27.9899","0.0005","7.5507","0.0001","90","","101.48","0.002","90","","1678.19","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0505","0.0416","","","0.0958","0.1074","","","","","","1.074","","","","has coordinates","222422","2020-10-21","18:00:00",""
"4033847","14.0881","0.0002","7.8859","0.0001","35.7414","0.0004","90","","90","","90","","3970.77","0.09","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O7 -","- C24 H22 O7 -","- C192 H176 O56 -","8","2","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.077","0.0786","","","","","","1.021","","","","has coordinates","222423","2020-10-21","18:00:00",""
"4033848","10.0551","0.0018","10.1464","0.0018","14.205","0.002","69.217","0.007","78.249","0.007","68.834","0.007","1258.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C54 H56 N8 O8 -","2","1","","Gallardo-Fuentes, Sebastián; Lezana, Nicolás; Lühr, Susan; Galdámez, Antonio; Vilches-Herrera, Marcelo","Influence of Non-Covalent Interactions in the <i>Exo</i>- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT Calculations.","The Journal of organic chemistry","2019","84","17","10825","10831","10.1021/acs.joc.9b01390","","","0.71073","MoKα","","0.0843","0.0614","","","0.1616","0.1815","","","","","","1.037","","","","has coordinates","222424","2020-10-21","18:00:00",""
"4033849","10.1338","0.0011","10.2076","0.001","10.6911","0.0012","96.723","0.005","113.639","0.005","93.417","0.005","999.22","0.19","293","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C42 H50 N6 O4 -","2","1","","Gallardo-Fuentes, Sebastián; Lezana, Nicolás; Lühr, Susan; Galdámez, Antonio; Vilches-Herrera, Marcelo","Influence of Non-Covalent Interactions in the <i>Exo</i>- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT Calculations.","The Journal of organic chemistry","2019","84","17","10825","10831","10.1021/acs.joc.9b01390","","","0.71073","MoKα","","0.0643","0.046","","","0.1074","0.1207","","","","","","1.015","","","","has coordinates","222426","2020-10-21","18:00:00",""
"4033850","19.4211","0.0006","5.90419","0.00018","16.3745","0.0005","90","","91.651","0.003","90","","1876.82","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 S3 -","- C18 H21 N O2 S3 -","- C72 H84 N4 O8 S12 -","4","1","","Lai, Miao; Wu, Zhiyong; Li, Shi-Jun; Wei, Donghui; Zhao, Mingqin","Regioselective Synthesis of Sulfonyl-Containing Benzyl Dithiocarbamates through Copper-Catalyzed Thiosulfonylation of Styrenes.","The Journal of organic chemistry","2019","84","17","11135","11149","10.1021/acs.joc.9b01829","","x-ray","1.54184","CuKα","","0.0586","0.0473","","","0.1316","0.147","","","","","","1.033","","","","has coordinates","222427","2020-10-21","18:00:00",""
"4033851","7.4961","0.0002","7.4595","0.0002","13.2851","0.0003","90","","104.771","0.001","90","","718.32","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A <i>Lycopodium</i> Alkaloid with a Unique Cyclobutane Ring from <i>Phlegmariurus phlegmaria</i>.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0326","0.0326","","","0.0854","0.0855","","","","","","1.004","","","","has coordinates","222428","2020-10-21","18:00:00",""
"4033852","13.2222","0.0003","14.2829","0.0004","17.1194","0.0004","90","","90","","90","","3233.02","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C136 H216 N8 O32 -","8","2","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A <i>Lycopodium</i> Alkaloid with a Unique Cyclobutane Ring from <i>Phlegmariurus phlegmaria</i>.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0286","0.0285","","","0.0754","0.0755","","","","","","1.096","","","","has coordinates","222429","2020-10-21","18:00:00",""
"4033853","14.334","0.004","12.401","0.003","12.344","0.004","90","","105.26","0.003","90","","2116.9","1","273","","273","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 Pt S Si -","- C22 H23 N O2 Pt S Si -","- C88 H92 N4 O8 Pt4 S4 Si4 -","4","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0421","0.0391","","","0.0896","0.0911","","","","","","1.132","","","","has coordinates","222430","2020-10-21","18:00:00",""
"4033854","8.711","0.003","13.404","0.004","12.174","0.004","90","","106.607","0.005","90","","1362.2","0.8","273","","273","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H31 N O3 Pt S Si -","- C30 H31 N O3 Pt S Si -","- C60 H62 N2 O6 Pt2 S2 Si2 -","2","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0247","0.0231","","","0.0509","0.0519","","","","","","1.036","","","","has coordinates","222431","2020-10-21","18:00:00",""
"4033855","13.706","0.01","12.365","0.008","12.403","0.009","90","","105.277","0.008","90","","2028","2","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 Pt S -","- C23 H23 N O2 Pt S -","- C92 H92 N4 O8 Pt4 S4 -","4","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0629","0.0527","","","0.1114","0.1184","","","","","","1.072","","","","has coordinates","222432","2020-10-21","18:00:00",""
"4033856","15.6307","0.0001","15.6307","0.0001","12.5351","0.0001","90","","90","","120","","2652.26","0.03","100","0.1","100","0.1","","","","","","","","3","P 65","P 65","170","","2a-hydroxy-10e-methyl-1a,2,2a,3,4,4a,4b,5,6,9,10,10c,10d,10e-tetradecahydrocyclobuta[3,4]cyclopenta[1,7]indeno[5,6-a]naphthalen-8(1H)-one hydrate","","- C21 H27 O2.5 -","- C21 H27 O2.5 -","- C126 H162 O15 -","6","1","","Pflug, Nicholas C.; Patterson, Eric V.; Martinović-Weigelt, Dalma; Kolodziej, Edward P.; Gloer, James B.; McNeill, Kristopher; Cwiertny, David M.; Wammer, Kristine H.","Intramolecular [2 + 2] Photocycloaddition of Altrenogest: Confirmation of Product Structure, Theoretical Mechanistic Insight, and Bioactivity Assessment.","The Journal of organic chemistry","2019","84","17","11366","11371","10.1021/acs.joc.9b02070","","","1.54184","CuKα","","0.0352","0.0349","","","0.0945","0.0948","","","","","","1.052","","","","has coordinates,has disorder","222433","2020-10-21","18:00:00",""
"4033857","15.8728","0.0005","9.0055","0.0003","13.384","0.0005","90","","95.57","0.003","90","","1904.11","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Yang, Wen; Chen, Yu; Yao, Yongqi; Yang, Xin; Lin, Qifu; Yang, Dingqiao","ICl/AgNO<sub>3</sub> Co-Catalyzed Radical Oxidation of Diaryl- and Alkylarylalkynes into 1,2-Diketones.","The Journal of organic chemistry","2019","84","17","11080","11090","10.1021/acs.joc.9b01667","","x-ray","1.54184","CuKα","","0.052","0.0419","","","0.1059","0.1147","","","","","","1.142","","","","has coordinates","222434","2020-10-21","18:00:00",""
"4033858","8.0294","0.0004","12.7216","0.0006","16.3848","0.001","108.971","0.005","90.502","0.004","107.466","0.004","1499.25","0.15","106.6","","106.6","","","","","","","","","3","P 1","P 1","1","","","","- C33 H49 O4 -","- C33 H49 O4 -","- C66 H98 O8 -","2","2","","Liu, Tingting; Wu, Haibo; Jiang, Hongyun; Zhang, Lan; Zhang, Yanning; Mao, Liangang","Echingridimer A, an Oxaspiro Dimeric Sesquiterpenoid with a 6/6/5/6/6 Fused Ring System from <i>Echinops grijsii</i> and Aphicidal Activity Evaluation.","The Journal of organic chemistry","2019","84","17","10757","10763","10.1021/acs.joc.9b01212","","","1.5418","CuKα","","0.0712","0.0566","","","0.1349","0.1482","","","","","","1.023","","","","has coordinates,has disorder","222435","2020-10-21","18:00:00",""
"4033859","13.2992","0.0009","9.3014","0.0006","11.1624","0.0007","90","","107.772","0.003","90","","1314.91","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N6 O2 S -","- C11 H12 N6 O2 S -","- C44 H48 N24 O8 S4 -","4","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0604","0.0375","","","0.0877","0.096","","","","","","1.019","","","","has coordinates","222436","2020-10-21","18:00:00",""
"4033860","14.014","0.0018","17.049","0.002","4.9969","0.0005","90","","90","","90","","1193.9","0.2","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C4 H4 N6 -","- C4 H4 N6 -","- C32 H32 N48 -","8","0.5","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0589","0.0354","","","0.0725","0.0809","","","","","","1.015","","","","has coordinates","222437","2020-10-21","18:00:00",""
"4033861","5.5409","0.0006","8.9312","0.0011","10.2919","0.0013","90","","93.877","0.005","90","","508.15","0.11","172","2","172","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.049","0.0332","","","0.0641","0.0694","","","","","","1.049","","","","has coordinates","222438","2020-10-21","18:00:00",""
"4033862","5.9826","0.0005","10.7112","0.0011","27.094","0.003","90","","90","","90","","1736.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N6 O2 S -","- C17 H16 N6 O2 S -","- C68 H64 N24 O8 S4 -","4","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0819","0.0432","","","0.0729","0.0824","","","","","","1.036","","","","has coordinates","222439","2020-10-21","18:00:00",""
"4033863","10.1158","0.0004","17.6903","0.0006","10.7433","0.0004","90","","117.075","0.001","90","","1711.84","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","1","","Zhu, Jia-Nan; Wang, Wen-Kang; Zheng, Jian; Lin, Hao-Peng; Deng, Yun-Xia; Zhao, Sheng-Yin","Iodine-Catalyzed Regioselective Oxidative Cyclization of Aldehyde Hydrazones with Electron-Deficient Olefins for the Synthesis of Mefenpyr-Diethyl.","The Journal of organic chemistry","2019","84","17","11032","11041","10.1021/acs.joc.9b01499","","","0.71073","MoKα","","0.0638","0.0534","","","0.1441","0.1552","","","","","","1.046","","","","has coordinates","222440","2020-10-21","18:00:00",""
"4033864","11.5493","0.0003","14.4808","0.0004","15.7452","0.0004","90","","90","","90","","2633.28","0.12","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 N O2 -","- C35 H31 N O2 -","- C140 H124 N4 O8 -","4","1","","Mao, Jia; Zhang, Hao; Ding, Xiang-Feng; Luo, Xiaoyan; Deng, Wei-Ping","Synergistic Catalysis for Asymmetric [3 + 2] Cycloadditions of 2-Indolylmethanols with <i>α,β</i>-Unsaturated Aldehydes.","The Journal of organic chemistry","2019","84","17","11186","11194","10.1021/acs.joc.9b01234","","","1.34139","GaKα","","0.0453","0.0431","","","0.1077","0.1096","","","","","","1.034","","","","has coordinates","222441","2020-10-21","18:00:00",""
"4033865","18.76631","0.00012","14.88559","0.00011","7.88336","0.00007","90","","90","","90","","2202.2","0.03","150","","150","","","","","","","","from U of Wollongong","5","P n a 21","P 2c -2n","33","","","","- C27 H21 Cl N2 O3 -","- C27 H21 Cl N2 O3 -","- C108 H84 Cl4 N8 O12 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0331","0.0329","","0.0897","0.0895","0.0897","","","","","","1.0061","","","","has coordinates","222442","2020-10-21","18:00:00",""
"4033866","7.6361","0.0002","13.715","0.0003","22.4168","0.0005","90","","98.156","0.002","90","","2323.95","0.1","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0751","0.0738","","0.1961","0.1959","0.1961","","","","","","0.9998","","","","has coordinates","222443","2020-10-21","18:00:00",""
"4033867","9.4271","0.0001","10.0632","0.0001","23.0963","0.0002","90","","101.149","0.0011","90","","2149.72","0.04","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O3 S -","- C25 H20 N2 O3 S -","- C100 H80 N8 O12 S4 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0411","0.0372","","0.0922","0.0892","0.0922","","","","","","1.0018","","","","has coordinates","222444","2020-10-21","18:00:00",""
"4033868","9.4461","0.0001","10.2612","0.0001","23.0912","0.0002","90","","100.49","0.0008","90","","2200.78","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0376","0.0362","","0.0895","0.0882","0.0895","","","","","","1.0004","","","","has coordinates","222445","2020-10-21","18:00:00",""
"4033869","12.8492","0.0007","23.7824","0.0012","8.4063","0.0004","90","","90","","90","","2568.8","0.2","299","2","299.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N3 O3 -","- C30 H31 N3 O3 -","- C120 H124 N12 O12 -","4","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0564","0.051","","","0.1398","0.1439","","","","","","1.07","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033870","8.802","0.0005","11.259","0.0006","15.7919","0.0008","90","","95.669","0.002","90","","1557.35","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H38 N4 O4 -","- C37 H38 N4 O4 -","- C74 H76 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.072","0.0449","","","0.1039","0.1164","","","","","","1.03","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033871","8.9528","0.0011","11.419","0.003","15.863","0.002","90","","93.945","0.012","90","","1617.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N4 O4 -","- C38 H40 N4 O4 -","- C76 H80 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0513","0.042","","","0.1052","0.1116","","","","","","1.015","","","","has coordinates,has disorder","222446","2020-10-21","18:00:00",""
"4033872","10.962","0.004","19.047","0.005","12.85","0.004","90","","97.523","0.017","90","","2659.9","1.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H66 N6 O6 -","- C60 H66 N6 O6 -","- C120 H132 N12 O12 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0371","0.0347","","","0.09","0.0919","","","","","","1.024","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033873","20.141","0.003","20.141","0.003","10.316","0.003","90","","90","","90","","4184.8","1.5","296","2","296","2","","","","","","","","7","P 4","P 4","75","","","","- C161 H181.5 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","1","0.25","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0577","0.0556","","","0.1679","0.1707","","","","","","1.052","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033874","12.3004","0.0005","26.5371","0.0011","7.3874","0.0003","90","","107.915","0.001","90","","2294.45","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H16 F3 O4 -","- C31 H16 F3 O4 -","- C124 H64 F12 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.0635","0.0497","","","0.1086","0.1146","","","","","","1.044","","","","has coordinates","222447","2020-10-21","18:00:00",""
"4033875","10.2558","0.0006","6.9979","0.0004","25.3728","0.0014","90","","95.701","0.002","90","","1811.98","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 O4 -","- C58 H32 O4 -","- C116 H64 O8 -","2","0.5","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.1059","0.0599","","","0.1359","0.1569","","","","","","1.035","","","","has coordinates","222448","2020-10-21","18:00:00",""
"4033876","11.4487","0.001","7.2437","0.0006","22.218","0.002","90","","95.522","0.003","90","","1834","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.1848","0.0692","","","0.0997","0.1253","","","","","","0.992","","","","has coordinates","222449","2020-10-21","18:00:00",""
"4033877","12.278","0.003","10.77","0.002","15.154","0.004","90","","111.644","0.008","90","","1862.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.0977","0.0563","","","0.1483","0.1743","","","","","","1.076","","","","has coordinates","222450","2020-10-21","18:00:00",""
"4033878","14.3827","0.0011","9.2545","0.0007","13.9386","0.0011","90","","90","","90","","1855.3","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","0.5","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.119","0.0633","","","0.1335","0.1572","","","","","","1.029","","","","has coordinates","222451","2020-10-21","18:00:00",""
"4033879","12.1609","0.001","9.9347","0.0008","34.851","0.003","90","","96.334","0.002","90","","4184.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H16.5 Cl1.5 O2 -","- C29.5 H16.5 Cl1.5 O2 -","- C236 H132 Cl12 O16 -","8","2","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.2358","0.1441","","","0.3355","0.3741","","","","","","1.12","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033880","17.8922","0.0002","4.8496","0.0001","19.703","0.0003","90","","99.19","0.001","90","","1687.69","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C80 H68 N12 O16 -","4","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.046","0.0419","","","0.1117","0.1156","","","","","","1.047","","","","has coordinates","222453","2020-10-21","18:00:00",""
"4033881","25.7343","0.001","7.6126","0.0002","27.7175","0.0008","90","","90","","90","","5430","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cl N3 O3 -","- C28 H20 Cl N3 O3 -","- C224 H160 Cl8 N24 O24 -","8","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0841","0.0648","","","0.1528","0.1637","","","","","","1.054","","","","has coordinates","222454","2020-10-21","18:00:00",""
"4033882","10.1197","0.0001","10.5071","0.0001","21.9497","0.0002","93.92","0.001","95.141","0.001","106.474","0.001","2218.3","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C104 H84 Br4 N8 O8 -","4","2","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","","1.54184","CuKα","","0.043","0.0399","","","0.1127","0.1148","","","","","","1.15","","","","has coordinates,has disorder","222455","2020-10-21","18:00:00",""
"4033883","9.214","0.0002","9.26","0.0001","9.6732","0.0002","109.196","0.002","95.169","0.002","96.044","0.001","768.25","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0395","0.0389","","","0.1044","0.1051","","","","","","1.041","","","","has coordinates","222456","2020-10-21","18:00:00",""
"4033884","8.5792","0.0001","9.5408","0.0001","23.8992","0.0003","90","","90","","90","","1956.21","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","","- C24 H22 O5 -","- C24 H22 O5 -","- C96 H88 O20 -","4","1","","Tanaka, Kenta; Omata, Daichi; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Organophotoredox-Catalyzed Intermolecular Oxa-[4+2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","84","17","10669","10678","10.1021/acs.joc.9b01156","","x-ray","1.54184","CuKα","","0.0522","0.0492","","","0.1355","0.1388","","","","","","1.047","","","","has coordinates","222457","2020-10-21","18:00:00",""
"4033885","5.8825","0.0007","7.6219","0.001","31.585","0.004","90","","92.41","0.005","90","","1414.9","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","","Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Shen, Kexin; Pan, Yuanjiang","Aerobic Copper-Catalyzed Synthesis of (<i>E</i>)-Vinyl Sulfones by Direct C-S Bond Oxidative Coupling.","The Journal of organic chemistry","2019","84","17","11210","11218","10.1021/acs.joc.9b01400","","","0.71073","MoKα","","0.0781","0.0723","","","0.193","0.1966","","","","","","1.219","","","","has coordinates","222458","2020-10-21","18:00:00",""
"4033886","9.605","0.008","10.338","0.009","13.999","0.012","102.399","0.018","94.702","0.017","106.263","0.018","1288.3","1.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 N O2 S -","- C32 N O2 S -","- C64 N2 O4 S2 -","2","1","","Qiao, Hong; Zhang, Shengjun; Li, Kangkang; Cao, Zhengqiang; Zeng, Fanlong","Palladium(II)/Lewis Acid Cocatalyzed Oxidative Annulation of 2-Alkenylanilines and Propargylic Esters: An Access to Benzo[<i>b</i>]azepines.","The Journal of organic chemistry","2019","84","17","10843","10851","10.1021/acs.joc.9b01406","","","0.71073","MoKα","","0.2187","0.0984","","","0.2557","0.3503","","","","","","0.934","","","","has coordinates","222459","2020-10-21","18:00:00",""
"4033887","6.2227","0.0012","13.638","0.003","17.947","0.004","78.429","0.006","89.29","0.006","88.54","0.006","1491.6","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H84 Br2 N2 O6 S2 -","- C62 H84 Br2 N2 O6 S2 -","- C62 H84 Br2 N2 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Helmin, Andrew J.; Wilcox, Wyatt D.; Severson, Sarah M.; Janzen, Daron E.","ProDOT-Assisted Isomerically Pure Indophenines.","The Journal of organic chemistry","2019","84","17","11253","11257","10.1021/acs.joc.9b01525","","","0.71075","MoKα","","0.147","0.0759","","","0.1568","0.186","","","","","","1.028","","","","has coordinates,has disorder","222462","2020-10-21","18:00:00",""
"4033888","5.4543","0.0001","7.6941","0.0002","34.3867","0.0008","90","","90.327","0.001","90","","1443.05","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Lin, Long; Zeng, Xiaojun; Xu, Bo","Synthesis of <i>Z</i>-Enamides through Heterogeneous Gold-Catalyzed Stereoselective Hydrogenation of Ynamides.","The Journal of organic chemistry","2019","84","17","11240","11246","10.1021/acs.joc.9b01450","","","0.71073","MoKα","","0.0389","0.0348","","","0.0948","0.0991","","","","","","1.072","","","","has coordinates","222463","2020-10-21","18:00:00",""
"4033889","13.1467","0.0009","6.1735","0.0004","15.7907","0.0011","90","","94.671","0.002","90","","1277.33","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Py-Ts-Me-Br","","","- C12 H12 Br N O2 S -","- C12 H12 Br N O2 S -","- C48 H48 Br4 N4 O8 S4 -","4","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0545","0.0315","","","0.0639","0.0707","","","","","","1.041","","","","has coordinates,has disorder","222464","2020-10-21","18:00:00",""
"4033890","6.3705","0.0003","16.0873","0.0007","25.9006","0.0011","90","","90","","90","","2654.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Py-Ts-Me-I","","","- C11.99 H11.96 I1.01 N O2 S -","- C11.9853 H11.9559 I1.0147 N O2 S -","- C95.8824 H95.6472 I8.1176 N8 O16 S8 -","8","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0625","0.045","","","0.0805","0.085","","","","","","1.218","","","","has coordinates,has disorder","222465","2020-10-21","18:00:00",""
"4033891","5.582","0.0002","10.6694","0.0003","40.2605","0.001","90","","90","","90","","2397.78","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O3 S -","- C29 H26 N2 O3 S -","- C116 H104 N8 O12 S4 -","4","1","","Dhanasekaran, Sivasankaran; Kannaujiya, Vinod K.; Biswas, Rayhan G.; Singh, Vinod K.","Enantioselective A<sup>3</sup>-Coupling Reaction Employing Chiral Cu<sup>I</sup>- <sup>i</sup>PrpyboxdiPh/ N-Boc-(l)-Proline Complex under Cooperative Catalysis: Application in the Synthesis of (Indol-2-yl)methanamines.","The Journal of organic chemistry","2019","84","6","3275","3292","10.1021/acs.joc.8b03225","","","0.71073","MoKα","","0.0856","0.0551","","","0.1021","0.1142","","","","","","1.002","","","","has coordinates","222466","2020-10-21","18:00:00",""
"4033892","10.7686","0.0003","6.6244","0.0002","15.1218","0.0005","90","","110.361","0.002","90","","1011.32","0.05","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C42 H64 O4 Si2 -","2","1","","Puriņš, Mikus; Mishnev, Anatoly; Turks, Ma Ris","Brønsted Acid Catalyzed 1,2-Silyl Shift in Propargyl Silanes: Synthesis of Silyl Dienes and Silyl Indenes.","The Journal of organic chemistry","2019","84","6","3595","3611","10.1021/acs.joc.8b02735","","","0.71073","MoKα","","0.0684","0.0472","","","0.084","0.092","","","","","","1.037","","","","has coordinates","222467","2020-10-21","18:00:00",""
"4033893","13.1063","0.0004","14.9181","0.0005","7.0214","0.0002","90","","97.3063","0.0012","90","","1361.69","0.07","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 F2 O -","- C18 H12 F2 O -","- C72 H48 F8 O4 -","4","2","","Bosmans, Vera; Poater, Jordi; Hammink, Roel; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Probing Through-Space Polar-π Interactions in 2,6-Diarylphenols.","The Journal of organic chemistry","2019","84","6","3632","3637","10.1021/acs.joc.8b03147","","","0.71073","MoKα","","0.0595","0.0423","","","0.1038","0.1109","","","","","","1.036","","","","has coordinates","222468","2020-10-21","18:00:00",""
"4033894","11.3799","0.001","7.7646","0.0008","20.862","0.002","90","","113.081","0.008","90","","1695.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Hoque, Injamam Ul; Chowdhury, Soumyadeep Roy; Maity, Soumitra","Photoredox-Catalyzed Intermolecular Radical Arylthiocyanation/Arylselenocyanation of Alkenes: Access to Aryl-Substituted Alkylthiocyanates/Alkylselenocyanates.","The Journal of organic chemistry","2019","84","6","3025","3035","10.1021/acs.joc.8b03155","","","0.71073","MoKα","","0.1298","0.0739","","","0.1674","0.1932","","","","","","1.036","","","","has coordinates","222469","2020-10-21","18:00:00",""
"4033895","15.6001","0.0016","7.2148","0.0007","12.1001","0.0012","90","","99.063","0.005","90","","1344.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Vbchem310_a","","","- C13 H13 N O3 S2 -","- C13 H13 N O3 S2 -","- C52 H52 N4 O12 S8 -","4","1","","Mahato, Sachinta; Santra, Sougata; Zyryanov, Grigory V.; Majee, Adinath","Metal-Free Amidation Reactions of Terminal Alkynes with Benzenesulfonamide.","The Journal of organic chemistry","2019","84","6","3176","3183","10.1021/acs.joc.8b03065","","","0.71073","MoKα","","0.0776","0.062","","","0.1812","0.2067","","","","","","1.342","","","","has coordinates","222470","2020-10-21","18:00:00",""
"4033896","8.2223","0.0005","13.7606","0.0007","41.901","0.003","90","","92.92","0.006","90","","4734.7","0.5","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 O -","- C34 H30 O -","- C272 H240 O8 -","8","2","","Martínez-Abadía, Marta; Antonicelli, Gabriella; Saeki, Akinori; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Isolation and Characterization of the Unexpected 1- n-Octyloxyperopyrene: A Solution-Processable p-Type Organic Semiconductor.","The Journal of organic chemistry","2019","84","6","3270","3274","10.1021/acs.joc.8b03207","","x-ray","1.54184","CuKα","","0.1608","0.1194","","","0.3253","0.371","","","","","","1.166","","","","has coordinates","222471","2020-10-21","18:00:00",""
"4033897","9.2495","0.0005","15.2792","0.0008","34.4997","0.0017","90","","90","","90","","4875.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H69 Cl6 N O6 S3 -","- C41 H69 Cl6 N O6 S3 -","- C164 H276 Cl24 N4 O24 S12 -","4","1","","Ayer, Suraj K.; Roizen, J. L.","Sulfamate Esters Guide C(3)-Selective Xanthylation of Alkanes.","The Journal of organic chemistry","2019","84","6","3508","3523","10.1021/acs.joc.9b00105","","","0.71073","MoKα","","0.0903","0.0782","","","0.2179","0.2252","","","","","","1.145","","","","has coordinates,has disorder","222472","2020-10-21","18:00:00",""
"4033898","11.0214","0.0008","17.6814","0.0012","8.6332","0.0005","90","","105.803","0.002","90","","1618.8","0.19","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F N2 O -","- C19 H19 F N2 O -","- C76 H76 F4 N8 O4 -","4","1","","Iida, Asumi; Matsuoka, Mizuki; Hasegawa, Hiroshi; Vanthuyne, Nicolas; Farran, Daniel; Roussel, Christian; Kitagawa, Osamu","N-C Axially Chiral Compounds with an ortho-Fluoro Substituent and Steric Discrimination between Hydrogen and Fluorine Atoms Based on a Diastereoselective Model Reaction.","The Journal of organic chemistry","2019","84","6","3169","3175","10.1021/acs.joc.8b03043","","","0.71073","MoKα","","0.0694","0.053","","","0.1524","0.1657","","","","","","1.132","","","","has coordinates,has disorder","222473","2020-10-21","18:00:00",""
"4033899","6.9296","0.0002","13.6851","0.0003","18.2162","0.0004","90","","90","","90","","1727.48","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Wu, Guo-Jie; Zhang, Yuan-He; Tan, Dong-Xing; He, Long; Cao, Bao-Chen; He, Yu-Peng; Han, Fu-She","Synthetic Studies on Enantioselective Total Synthesis of Cyathane Diterpenoids: Cyrneines A and B, Glaucopine C, and (+)-Allocyathin B<sub>2</sub>.","The Journal of organic chemistry","2019","84","6","3223","3238","10.1021/acs.joc.8b03138","","","1.54178","CuKα","","0.0366","0.0353","","","0.0921","0.0936","","","","","","1.068","","","","has coordinates","222474","2020-10-21","18:00:00",""
"4033900","9.0771","0.0002","10.5122","0.0003","14.57","0.0004","90","","90","","90","","1390.27","0.06","303","2","303.38","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0385","0.0344","","","0.0838","0.0866","","","","","","1.072","","","","has coordinates","222476","2020-10-21","18:00:00",""
"4033901","13.5577","0.0005","14.5611","0.0005","6.8904","0.0002","90","","90","","90","","1360.27","0.08","304","2","303.95","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0358","0.0324","","","0.0765","0.079","","","","","","1.044","","","","has coordinates","222477","2020-10-21","18:00:00",""
"4033902","7.3786","0.0002","11.8974","0.0003","8.0186","0.0002","90","","96.195","0.001","90","","699.81","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Lu, Bin; Wu, Xiaoyu; Li, Chengyang; Ding, Guangni; Li, Wanfang; Xie, Xiaomin; Zhang, Zhaoguo","Highly Diastereo- and Enantioselective Access to syn-α-Amido β-Hydroxy Esters via Ruthenium-Catalyzed Dynamic Kinetic Resolution-Asymmetric Hydrogenation.","The Journal of organic chemistry","2019","84","6","3201","3213","10.1021/acs.joc.8b03106","","","1.54178","CuKα","","0.0226","0.0225","","","0.0617","0.0618","","","","","","1.044","","","","has coordinates","222478","2020-10-21","18:00:00",""
"4033903","6.9218","0.0001","10.1926","0.0001","13.0782","0.0002","90","","90","","90","","922.68","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 F2 N O3 -","- C8 H11 F2 N O3 -","- C32 H44 F8 N4 O12 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","0.71073","MoKα","","0.0329","0.0315","","","0.0814","0.0829","","","","","","1.056","","","","has coordinates","222479","2020-10-21","18:00:00",""
"4033904","7.42","0.0002","13.6927","0.0003","24.5834","0.0005","90","","90","","90","","2497.67","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0382","0.0373","","","0.0914","0.092","","","","","","1.095","","","","has coordinates","222480","2020-10-21","18:00:00",""
"4033905","8.8181","0.0005","10.3879","0.0006","18.1295","0.001","90","","90","","90","","1660.69","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F2 N O4 -","- C17 H21 F2 N O4 -","- C68 H84 F8 N4 O16 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0321","0.0302","","","0.0721","0.0733","","","","","","1.034","","","","has coordinates","222481","2020-10-21","18:00:00",""
"4033906","8.6279","0.0001","26.7808","0.0005","9.8839","0.0002","90","","110.472","0.001","90","","2139.55","0.07","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N4 O11 -","- C22 H20 N4 O11 -","- C88 H80 N16 O44 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0749","0.0438","","0.1052","0.0938","0.1052","","","","","","0.9482","","","","has coordinates","222482","2020-10-21","18:00:00",""
"4033907","7.0347","0.0002","9.4014","0.0002","10.0921","0.0003","88.6579","0.0018","77.6969","0.0014","69.8404","0.0018","611.26","0.03","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0464","0.0378","","0.103","0.098","0.103","","","","","","0.9826","","","","has coordinates","222483","2020-10-21","18:00:00",""
"4033908","9.5083","0.0004","10.2316","0.0003","13.3051","0.0006","110.082","0.002","97.268","0.002","100.494","0.002","1170.04","0.08","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C25 H27 N O7 S -","- C25 H27 N O7 S -","- C50 H54 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0656","0.0522","","0.1459","0.1351","0.1459","","","","","","0.9931","","","","has coordinates","222484","2020-10-21","18:00:00",""
"4033909","6.9388","0.0001","13.9009","0.0002","23.9512","0.0004","90","","90","","90","","2310.23","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O12 -","- C23 H24 N4 O12 -","- C92 H96 N16 O48 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0373","0.0316","","0.0784","0.076","0.0784","","","","","","1.0022","","","","has coordinates","222485","2020-10-21","18:00:00",""
"4033910","10.8031","0.0002","7.9845","0.0001","25.7942","0.0004","90","","90.498","0.0007","90","","2224.86","0.06","200","","200","","","","","","","","local","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Br N O Si -","- C21 H32 Br N O Si -","- C84 H128 Br4 N4 O4 Si4 -","4","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0571","0.0367","","0.0678","0.0626","0.0678","","","","","","0.9702","","","","has coordinates","222486","2020-10-21","18:00:00",""
"4033911","9.9367","0.0003","9.0913","0.0002","13.3553","0.0005","90","","109.642","0.0015","90","","1136.28","0.06","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0506","0.0439","","0.1155","0.1104","0.1155","","","","","","0.9915","","","","has coordinates","222487","2020-10-21","18:00:00",""
"4033912","8.2756","0.0002","11.1263","0.0004","14.685","0.0005","90","","90","","90","","1352.15","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N -","- C15 H18 Br N -","- C60 H72 Br4 N4 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0366","0.0286","","0.0636","0.0604","0.0636","","","","","","1.015","","","","has coordinates","222488","2020-10-21","18:00:00",""
"4033913","14.1046","0.0002","7.5282","0.0001","23.5058","0.0003","90","","98.4742","0.0009","90","","2468.65","0.06","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O12 -","- C24 H24 N4 O12 -","- C96 H96 N16 O48 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.064","0.0431","","0.1098","0.1006","0.1098","","","","","","0.953","","","","has coordinates","222489","2020-10-21","18:00:00",""
"4033914","5.0292","0.0008","7.7369","0.0011","13.795","0.002","101.537","0.006","91.971","0.009","107.637","0.008","498.6","0.13","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.1109","0.0947","","0.2574","0.2388","0.2574","","","","","","0.9891","","","","has coordinates","222490","2020-10-21","18:00:00",""
"4033915","10.47","0.0001","20.6793","0.0003","22.5086","0.0004","90","","90","","90","","4873.39","0.12","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O8 S -","- C26 H27 N O8 S -","- C208 H216 N8 O64 S8 -","8","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.063","0.0417","","0.0905","0.0822","0.0905","","","","","","0.9746","","","","has coordinates","222491","2020-10-21","18:00:00",""
"4033916","9.9369","0.0002","9.0908","0.0002","13.3586","0.0003","90","","109.636","0.0012","90","","1136.56","0.04","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0369","0.033","","0.0843","0.0819","0.0843","","","","","","0.997","","","","has coordinates","222492","2020-10-21","18:00:00",""
"4033917","5.026","0.0003","7.73","0.0004","13.7908","0.0008","101.669","0.003","91.92","0.004","107.523","0.004","497.8","0.05","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0626","0.0537","","0.1507","0.1403","0.1507","","","","","","0.986","","","","has coordinates","222493","2020-10-21","18:00:00",""
"4033918","9.8432","0.0008","10.4209","0.0009","14.3197","0.0012","83.441","0.005","74.668","0.004","84.081","0.005","1403.2","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N2 O5 S -","- C31 H24 N2 O5 S -","- C62 H48 N4 O10 S2 -","2","1","","Wang, Cong-Shuai; Li, Tian-Zhen; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric [4 + 1] Cyclization of Benzofuran-Derived Azadienes with 3-Chlorooxindoles.","The Journal of organic chemistry","2019","84","6","3214","3222","10.1021/acs.joc.8b03004","","","1.34139","GaKα","","0.0515","0.0439","","","0.1074","0.1122","","","","","","1.025","","","","has coordinates","222494","2020-10-21","18:00:00",""
"4033919","13.2965","0.0018","13.779","0.0019","14.0142","0.0019","80.486","0.005","67.315","0.005","81.251","0.005","2325.3","0.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’,5’-diphenylspiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C27 H23 Br N2 O5 -","- C27 H23 Br N2 O5 -","- C108 H92 Br4 N8 O20 -","4","2","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0477","0.0334","","","0.0862","0.0905","","","","","","1.041","","","","has coordinates","222495","2020-10-21","18:00:00",""
"4033920","9.3745","0.0004","13.6791","0.0005","19.4916","0.0007","90","","90","","90","","2499.5","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (3S,5’S)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H25 Br N2 O5 -","- C28 H25 Br N2 O5 -","- C112 H100 Br4 N8 O20 -","4","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0539","0.0384","","","0.0731","0.0781","","","","","","1.032","","","","has coordinates","222496","2020-10-21","18:00:00",""
"4033921","10.3368","0.0003","11.0441","0.0003","11.4495","0.0003","92.369","0.001","100.655","0.001","107.446","0.001","1218.91","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H25 Br N2 O5 -","- C28 H25 Br N2 O5 -","- C56 H50 Br2 N4 O10 -","2","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0606","0.0406","","","0.0817","0.0893","","","","","","1.03","","","","has coordinates","222497","2020-10-21","18:00:00",""
"4033922","11.1221","0.0002","16.7305","0.0003","16.8112","0.0003","63.004","0.001","89.656","0.001","82.779","0.001","2760.62","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(3RS,4’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-4’,3’’-indoline]-2,2’’-dione","","- C33 H31 N3 O3 S -","- C33 H31 N3 O3 S -","- C132 H124 N12 O12 S4 -","4","2","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","","0.71073","MoKα","","0.0624","0.0452","","","0.1157","0.1272","","","","","","1.027","","","","has coordinates","222498","2020-10-21","18:00:00",""
"4033923","10.2975","0.0006","10.7029","0.0006","11.6095","0.0006","107.177","0.002","97.379","0.002","100.333","0.002","1180.01","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-2-oxo-1’-phenyl-5’-(p-tolyl)spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H26 N2 O5 -","- C28 H26 N2 O5 -","- C56 H52 N4 O10 -","2","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0568","0.0419","","","0.1115","0.1181","","","","","","1.061","","","","has coordinates","222499","2020-10-21","18:00:00",""
"4033924","9.9951","0.0008","33.343","0.003","10.4541","0.0008","90","","113.228","0.001","90","","3201.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3RS,3’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-3’,3’’-indoline]-2,2’’-dione","","- C35 H37 N3 O4 S2 -","- C35 H37 N3 O4 S2 -","- C140 H148 N12 O16 S8 -","4","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","","0.71073","MoKα","","0.0476","0.043","","","0.1126","0.116","","","","","","1.043","","","","has coordinates","222500","2020-10-21","18:00:00",""
"4033925","14.8333","0.00013","33.6758","0.0003","7.13456","0.00007","90","","98.9993","0.0009","90","","3520.01","0.06","200","3","200","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Cl N2 O5 Pd -","- C35 H39 Cl N2 O5 Pd -","- C140 H156 Cl4 N8 O20 Pd4 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","1.54184","CuKα","","0.0569","0.0533","","","0.1424","0.1446","","","","","","1.076","","","","has coordinates,has disorder","222501","2020-10-21","18:00:00",""
"4033926","15.7195","0.0003","15.3316","0.0002","10.94788","0.00019","90","","92.1608","0.0015","90","","2636.62","0.08","100","3","100","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl3 N3 O4 Pd -","- C28 H20 Cl3 N3 O4 Pd -","- C112 H80 Cl12 N12 O16 Pd4 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","0.71073","MoKα","","0.0404","0.0336","","","0.0722","0.0755","","","","","","1.209","","","","has coordinates,has disorder","222502","2020-10-21","18:00:00",""
"4033927","14.6496","0.0003","8.8096","0.0002","16.5349","0.0003","90","","111.902","0.002","90","","1979.93","0.08","100","3","100","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O4 S2 -","- C22 H16 N2 O4 S2 -","- C88 H64 N8 O16 S8 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","0.71073","MoKα","","0.0446","0.0364","","","0.0952","0.1011","","","","","","1.035","","","","has coordinates","222503","2020-10-21","18:00:00",""
"4033928","17.2486","0.0002","10.17867","0.00017","6.17147","0.00011","90","","90","","90","","1083.51","0.03","101.95","0.1","101.95","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","1-(4-nitrophenyl)-4-chloro-piperidine","1-(4-nitrophenyl)-4-chloro-piperidine","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C44 H52 Cl4 N8 O8 -","4","0.5","","Ebule, Rene; Mudshinge, Sagar; Nantz, Michael H.; Mashuta, Mark S.; Hammond, Gerald B.; Xu, Bo","A 5 + 1 Protic Acid Assisted Aza-Pummerer Approach for Synthesis of 4-Chloropiperidines from Homoallylic Amines.","The Journal of organic chemistry","2019","84","6","3249","3259","10.1021/acs.joc.8b03162","","","0.71073","MoKα","","0.0364","0.032","","","0.0722","0.0746","","","","","","1.042","","","","has coordinates","222504","2020-10-21","18:00:00",""
"4033929","13.95","0.004","11.207","0.003","15.265","0.005","90","","112.269","0.004","90","","2208.5","1.1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Chen, Shanping; Jiang, Pingyu; Wang, Pu; Pei, Yong; Huang, Huawen; Xiao, Fuhong; Deng, Guo-Jun","Three-Component Cascade Synthesis of Carbazoles through [1s,6s] Sigmatropic Shift under Metal-Free Conditions.","The Journal of organic chemistry","2019","84","6","3121","3131","10.1021/acs.joc.8b02994","","","0.71073","MoKα","","0.121","0.0886","","","0.1387","0.1506","","","","","","1.231","","","","has coordinates","222505","2020-10-21","18:00:00",""
"4033930","26.475","0.0008","10.6566","0.0003","18.45","0.0006","90","","90","","90","","5205.4","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","NFL-T22","","- C41 H47 I3 O2 S12 -","- C41 H47 I3 O2 S12 -","- C164 H188 I12 O8 S48 -","4","1","","Fleck, Nico; Hett, Tobias; Brode, Jonas; Meyer, Andreas; Richert, Sabine; Schiemann, Olav","C-C Cross-Coupling Reactions of Trityl Radicals: Spin Density Delocalization, Exchange Coupling, and a Spin Label.","The Journal of organic chemistry","2019","84","6","3293","3303","10.1021/acs.joc.8b03229","","","0.71073","MoKα","","0.0789","0.0653","","","0.1403","0.1497","","","","","","1.027","","","","has coordinates","222506","2020-10-21","18:00:00",""
"4033931","10.4114","0.0005","7.6195","0.0002","16.5784","0.0007","90","","103.281","0.004","90","","1279.99","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Yang, Zhen; Jiang, Kun; Chen, Ying-Chun; Wei, Ye","Copper-Catalyzed Dihydroquinolinone Synthesis from Isocyanides and O-Benzoyl Hydroxylamines.","The Journal of organic chemistry","2019","84","6","3725","3734","10.1021/acs.joc.9b00262","","","0.71073","MoKα","","0.0816","0.0657","","","0.1748","0.193","","","","","","1.033","","","","has coordinates","222507","2020-10-21","18:00:00",""
"4033932","10.7766","0.0004","7.8221","0.0003","13.4995","0.0006","90","","94.552","0.004","90","","1134.36","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I O2 -","- C11 H8 Br I O2 -","- C44 H32 Br4 I4 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0381","0.0292","","","0.0606","0.0655","","","","","","1.061","","","","has coordinates","222508","2020-10-21","18:00:00",""
"4033933","10.6794","0.0005","7.5795","0.0003","13.4516","0.0006","90","","92.023","0.004","90","","1088.15","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br2 O2 -","- C11 H8 Br2 O2 -","- C44 H32 Br8 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0295","0.025","","","0.0667","0.0681","","","","","","1.046","","","","has coordinates","222510","2020-10-21","18:00:00",""
"4033934","10.7391","0.0004","7.356","0.0003","13.5262","0.0004","90","","90.473","0.003","90","","1068.49","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cl O2 -","- C11 H8 Br Cl O2 -","- C44 H32 Br4 Cl4 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.052","0.0536","","","","","","1.06","","","","has coordinates","222511","2020-10-21","18:00:00",""
"4033935","21.409","0.003","5.8925","0.0006","10.5126","0.0013","90","","98.052","0.012","90","","1313.1","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0976","0.0763","","","0.1872","0.2067","","","","","","1.083","","","","has coordinates","222512","2020-10-21","18:00:00",""
"4033936","6.7921","0.0004","24.5033","0.0012","10.1829","0.0004","90","","90","","90","","1694.73","0.15","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 Cl O3 -","- C9 H7 Cl O3 -","- C72 H56 Cl8 O24 -","8","2","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.063","0.0498","","","0.1118","0.1231","","","","","","1.061","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033937","5.4376","0.0003","9.2746","0.0005","19.1403","0.0012","90","","97.111","0.006","90","","957.85","0.1","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0502","0.0379","","","0.0872","0.0967","","","","","","1.056","","","","has coordinates","222514","2020-10-21","18:00:00",""
"4033938","5.5637","0.0004","16.8977","0.0013","19.6894","0.0016","90","","97.368","0.004","90","","1835.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0594","0.0458","","","0.1193","0.1288","","","","","","1.101","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033939","9.4459","0.0005","11.1306","0.0007","13.0768","0.0009","98.277","0.003","90.181","0.003","106.478","0.003","1303.27","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H27 N5 -","- C35 H27 N5 -","- C70 H54 N10 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0514","0.0374","","","0.0901","0.097","","","","","","1.048","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033940","9.9444","0.0005","30.8977","0.0016","10.1941","0.0005","90","","103.583","0.003","90","","3044.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N5 -","- C39 H35 N5 -","- C156 H140 N20 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0834","0.0542","","","0.1421","0.1599","","","","","","1.047","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033941","11.5095","0.0005","6.0108","0.0002","15.9991","0.0007","90","","109.073","0.001","90","","1046.08","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 -","- C15 H10 N2 -","- C60 H40 N8 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0486","0.0393","","","0.0983","0.1041","","","","","","1.046","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033942","8.1343","0.0004","11.9258","0.0006","18.2918","0.001","90","","90","","90","","1774.45","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Br N2 O6 -","- C20 H13 Br N2 O6 -","- C80 H52 Br4 N8 O24 -","4","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","x-ray","0.71073","MoKα","","0.036","0.0315","","","0.0689","0.071","","","","","","1.0493","","","","has coordinates","222516","2020-10-21","18:00:00",""
"4033943","6.90037","0.00013","7.8322","0.00017","16.9797","0.0004","82.7874","0.0018","85.8772","0.0017","79.2104","0.0017","893.21","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O6 -","- C20 H13 Br N2 O6 -","- C40 H26 Br2 N4 O12 -","2","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","x-ray","0.71073","MoKα","","0.0325","0.029","","","0.0708","0.0733","","","","","","1.048","","","","has coordinates","222517","2020-10-21","18:00:00",""
"4033944","7.8843","0.0004","10.4889","0.0005","16.211","0.0009","80.468","0.004","87.624","0.004","73.089","0.005","1264.9","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Br O6 S -","- C30 H19 Br O6 S -","- C60 H38 Br2 O12 S2 -","2","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","","0.71073","MoKα","","0.0468","0.0383","","","0.0926","0.0987","","","","","","1.039","","","","has coordinates","222518","2020-10-21","18:00:00",""
"4033945","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C156 H162 -","- C156 H162 -","- C312 H324 -","2","0.5","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1069","0.0931","","","0.3243","0.339","","","","","","1.537","","","","has coordinates,has disorder","222519","2020-10-21","18:00:00",""
"4033946","16.57","0.003","42.93","0.009","57.47","0.012","90","","96.72","0.03","90","","40600","14","95","2","95","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C260 H270 -","- C260 H270 -","- C1040 H1080 -","4","2","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.75","synchrotron","","0.1421","0.0927","","","0.2568","0.3055","","","","","","0.968","","","","has coordinates,has disorder","222520","2020-10-21","18:00:00",""
"4033947","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","","","- C208 H216 -","- C194.352 H185.292 -","- C777.408 H741.168 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.0982","0.0893","","","0.2758","0.287","","","","","","1.026","","","","has coordinates,has disorder","222521","2020-10-21","18:00:00",""
"4033948","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C180 H210 Cl24 -","- C179.998 H209.984 Cl23.998 -","- C359.996 H419.968 Cl47.996 -","2","0.5","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1496","0.1387","","","0.3864","0.404","","","","","","1.898","","","","has coordinates,has disorder","222522","2020-10-21","18:00:00",""
"4033949","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C218 H226 Cl30 -","- C218 H226 Cl30 -","- C872 H904 Cl120 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.1527","0.1405","","","0.4142","0.4283","","","","","","1.896","","","","has coordinates,has disorder","222524","2020-10-21","18:00:00",""
"4033950","19.82","0.004","20.51","0.004","38.69","0.008","81.65","0.03","78.06","0.03","77.99","0.03","14965","6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C460 H251 Cl7 -","- C460 H251 Cl7 -","- C920 H502 Cl14 -","2","1","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1772","0.133","","","0.3685","0.4073","","","","","","1.621","","","","has coordinates,has disorder","222525","2020-10-21","18:00:00",""
"4033951","28.1237","0.0012","10.7016","0.0006","16.0023","0.0007","90","","94.248","0.004","90","","4803","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cl N O5 -","- C28 H22 Cl N O5 -","- C224 H176 Cl8 N8 O40 -","8","1","","Fernández, Patricia; Valdés, Carlos; Fañanás, Francisco J; Rodríguez, Félix","Unusual Reactivity of Isoquinolinones Generated by Silver-Catalyzed Cycloisomerizations of Imines Derived from ortho-Alkynylsalicylaldehydes.","The Journal of organic chemistry","2019","84","6","3184","3191","10.1021/acs.joc.8b03081","","","1.54184","CuKα","","0.0501","0.0443","","","0.1196","0.1266","","","","","","1.054","","","","has coordinates","222526","2020-10-21","18:00:00",""
"4033952","10.3778","0.0006","11.0907","0.0005","14.7661","0.001","75.263","0.005","76.775","0.005","67.089","0.005","1497.82","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Br N O9 -","- C31 H30 Br N O9 -","- C62 H60 Br2 N2 O18 -","2","1","","Fernández, Patricia; Valdés, Carlos; Fañanás, Francisco J; Rodríguez, Félix","Unusual Reactivity of Isoquinolinones Generated by Silver-Catalyzed Cycloisomerizations of Imines Derived from ortho-Alkynylsalicylaldehydes.","The Journal of organic chemistry","2019","84","6","3184","3191","10.1021/acs.joc.8b03081","","","1.5418","CuKα","","0.052","0.0447","","","0.1171","0.1272","","","","","","1.047","","","","has coordinates,has disorder","222527","2020-10-21","18:00:00",""
"4033953","9.0692","0.0009","9.9319","0.0008","15.9479","0.0014","90","","90","","90","","1436.5","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71075","MoKα","","0.0498","0.042","","","0.1078","0.1184","","","","","","1.042","","","","has coordinates","222528","2020-10-21","18:00:00",""
"4033954","11.756","0.004","17.147","0.005","9.519","0.003","90","","113.778","0.004","90","","1756","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N O3 -","- C19 H22 B N O3 -","- C76 H88 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0811","0.0667","","","0.185","0.2005","","","","","","1.045","","","","has coordinates,has disorder","222529","2020-10-21","18:00:00",""
"4033955","10.5088","0.0012","10.1424","0.0012","27.846","0.003","90","","90","","90","","2968","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B N O3 -","- C15 H20 B N O3 -","- C120 H160 B8 N8 O24 -","8","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0557","0.0364","","","0.1039","0.123","","","","","","1.104","","","","has coordinates","222530","2020-10-21","18:00:00",""
"4033956","14.8806","0.0019","10.6387","0.0014","10.1915","0.0013","90","","97.091","0.002","90","","1601.1","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B N O3 -","- C16 H22 B N O3 -","- C64 H88 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0617","0.0413","","","0.1231","0.1409","","","","","","1.074","","","","has coordinates","222531","2020-10-21","18:00:00",""
"4033957","11.9881","0.0003","16.7094","0.0003","9.6243","0.0002","90","","90.162","0.002","90","","1927.87","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 B N O3 -","- C19 H28 B N O3 -","- C76 H112 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","1.54178","CuKα","","0.0521","0.0409","","","0.1094","0.1168","","","","","","1.029","","","","has coordinates,has disorder","222532","2020-10-21","18:00:00",""
"4033958","7.431","0.005","8.205","0.005","12.763","0.005","79.853","0.005","80.198","0.005","71.077","0.005","719.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 F3 N2 -","- C17 H9 F3 N2 -","- C34 H18 F6 N4 -","2","1","","Chen, Zhengwang; Liang, Pei; Xu, Fan; Deng, Zhen; Long, Lipeng; Luo, Guotian; Ye, Min","Metal-Free Aminothiation of Alkynes: Three-Component Tandem Annulation toward Indolizine Thiones from 2-Alkylpyridines, Ynals, and Elemental Sulfur.","The Journal of organic chemistry","2019","84","19","12639","12647","10.1021/acs.joc.9b01802","","","0.71069","MoKα","","0.115","0.0684","","","0.1484","0.17","","","","","","1.111","","","","has coordinates,has disorder","222533","2020-10-21","18:00:00",""
"4033959","8.8092","0.0003","11.4234","0.0004","17.0959","0.0005","90","","101.841","0.003","90","","1683.77","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-oxo-2-phenylindolin-2-yl)-2-phenylacetonitrile","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of Stereodefined 2-(3-Oxoindolin-2-yl)-2-Arylacetonitriles via One-Pot Reaction of Indoles with Nitroalkenes.","The Journal of organic chemistry","2019","84","19","12420","12429","10.1021/acs.joc.9b01874","","x-ray","1.54184","CuKα","","0.0482","0.0444","","","0.1215","0.1248","","","","","","1.076","","","","has coordinates","222534","2020-10-21","18:00:00",""
"4033960","9.3188","0.0003","7.4995","0.0002","25.0534","0.0006","90","","99.986","0.003","90","","1724.36","0.08","150.1","0.3","150.1","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-methyl-3-oxo-2-phenylindolin-2-yl)-2-phenylacetonitrile","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of Stereodefined 2-(3-Oxoindolin-2-yl)-2-Arylacetonitriles via One-Pot Reaction of Indoles with Nitroalkenes.","The Journal of organic chemistry","2019","84","19","12420","12429","10.1021/acs.joc.9b01874","","x-ray","1.54184","CuKα","","0.0512","0.0435","","","0.1142","0.1217","","","","","","1.043","","","","has coordinates","222535","2020-10-21","18:00:00",""
"4033961","13.0203","0.0014","6.0434","0.0006","16.2047","0.0018","90","","101.8","0.011","90","","1248.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C58 H50 N6 O12 -","2","1","","Ramaraju, Panduga; Pawar, Amol Prakash; Iype, Eldhose; Mir, Nisar A.; Choudhary, Sachin; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and <i>N</i>-Aryl Imines with DFT Calculations.","The Journal of organic chemistry","2019","84","19","12408","12419","10.1021/acs.joc.9b01865","","","0.71073","MoKα","","0.0597","0.0418","","","0.0782","0.0887","","","","","","1.009","","","","has coordinates","222536","2020-10-21","18:00:00",""
"4033962","12.5922","0.0009","28.656","0.002","13.3383","0.001","90","","100.726","0.002","90","","4728.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H71 O3 P -","- C56 H71 O3 P -","- C224 H284 O12 P4 -","4","1","","Wagen, Corin C.; Ingoglia, Bryan T.; Buchwald, Stephen L.","Unexpected Formation of Hexasubstituted Arenes through a 2-fold Palladium-Mediated Ligand Arylation.","The Journal of organic chemistry","2019","84","19","12672","12679","10.1021/acs.joc.9b02091","","","0.71073","MoKα","","0.0561","0.0431","","","0.1105","0.1185","","","","","","1.067","","","","has coordinates,has disorder","222537","2020-10-21","18:00:00",""
"4033963","10.8819","0.0012","11.2677","0.0013","19.934","0.002","90","","92.701","0.003","90","","2441.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 S Se -","- C25 H25 N O3 S Se -","- C100 H100 N4 O12 S4 Se4 -","4","1","","Zhang, Rong; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Visible Light-Induced Co- or Cu-Catalyzed Selenosulfonylation of Alkynes: Synthesis of β-(Seleno)vinyl Sulfones.","The Journal of organic chemistry","2019","84","19","12324","12333","10.1021/acs.joc.9b01626","","","0.71073","MoKα","","0.0922","0.0627","","","0.1589","0.1773","","","","","","1.098","","","","has coordinates,has disorder","222538","2020-10-21","18:00:00",""
"4033964","8.486","0.001","15.1787","0.0018","16.604","0.002","90","","97.43","0.004","90","","2120.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 S Se -","- C23 H20 O4 S Se -","- C92 H80 O16 S4 Se4 -","4","1","","Zhang, Rong; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Visible Light-Induced Co- or Cu-Catalyzed Selenosulfonylation of Alkynes: Synthesis of β-(Seleno)vinyl Sulfones.","The Journal of organic chemistry","2019","84","19","12324","12333","10.1021/acs.joc.9b01626","","","0.71073","MoKα","","0.0582","0.0437","","","0.1134","0.1229","","","","","","1.03","","","","has coordinates","222539","2020-10-21","18:00:00",""
"4033965","10.1757","0.0002","10.8768","0.0003","13.9556","0.0004","90","","90","","90","","1544.59","0.07","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F N2 -","- C20 H17 F N2 -","- C80 H68 F4 N8 -","4","1","","Guan, Xu-Kai; Zhang, Heng; Gao, Ji-Gang; Sun, Dong-Yang; Qin, Xiang-Shuo; Jiang, Guo-Feng; Zhang, Guang-Liang; Zhang, Suoqin","Asymmetric Synthesis of 1,1,1-Triarylethanes by Chiral Imidodiphosphoric Acid Catalyzed Nucleophilic Addition of Pyrrole and Indoles to 3-Vinylindoles.","The Journal of organic chemistry","2019","84","19","12562","12572","10.1021/acs.joc.9b02024","","","0.71073","MoKα","","0.0372","0.0326","","","0.077","0.0814","","","","","","1.079","","","","has coordinates","222540","2020-10-21","18:00:00",""
"4033966","6.6474","0.0003","25.6822","0.0013","8.2626","0.0004","90","","90.123","0.004","90","","1410.59","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 I O2 -","- C16 H15 I O2 -","- C64 H60 I4 O8 -","4","1","","Li, Mengxue; Yang, Fang; Yuan, Ting; Li, Haoyang; Li, Jian; Chen, Zi-Sheng; Ji, Kegong","Syntheses of <i>Z</i>-Iodovinylfurans and 2-Acyl Furans via Controllable Cyclization of Ynenones.","The Journal of organic chemistry","2019","84","19","12617","12625","10.1021/acs.joc.9b01852","","x-ray","0.71073","MoKα","","0.0276","0.0258","","","0.0502","0.051","","","","","","1.052","","","","has coordinates","222541","2020-10-21","18:00:00",""
"4033967","7.3362","0.0003","12.5626","0.0004","24.8378","0.001","90","","96.443","0.003","90","","2274.64","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O S -","- C27 H24 N2 O S -","- C108 H96 N8 O4 S4 -","4","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Zhao, Ming-Gang; Liang, Jin-Yan","Regioselective N-Addition/Substitution Reaction of α-Alkylidene Pyrazolinones with Propargyl Sulfonium Salts to Construct Allylthio-Containing Pyrazolones.","The Journal of organic chemistry","2019","84","19","12520","12531","10.1021/acs.joc.9b02029","","x-ray","0.71073","MoKα","","0.0851","0.0527","","","0.1182","0.1361","","","","","","1.055","","","","has coordinates","222542","2020-10-21","18:00:00",""
"4033968","7.0382","0.0002","12.4284","0.0004","25.3081","0.0008","90","","95.463","0.003","90","","2203.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Br N2 O -","- C26 H21 Br N2 O -","- C104 H84 Br4 N8 O4 -","4","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Zhao, Ming-Gang; Liang, Jin-Yan","Regioselective N-Addition/Substitution Reaction of α-Alkylidene Pyrazolinones with Propargyl Sulfonium Salts to Construct Allylthio-Containing Pyrazolones.","The Journal of organic chemistry","2019","84","19","12520","12531","10.1021/acs.joc.9b02029","","x-ray","0.71073","MoKα","","0.09","0.0494","","","0.0866","0.0991","","","","","","1.024","","","","has coordinates","222543","2020-10-21","18:00:00",""
"4033969","14.3246","0.0003","14.3246","0.0003","13.4826","0.0004","90","","90","","90","","2766.55","0.12","293","","293","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Chen, Donghan; Yao, Yongqi; Yang, Wen; Lin, Qifu; Li, Huanyong; Wang, Lin; Chen, Shuqi; Tan, Yun; Yang, Dingqiao","Palladium-Catalyzed <i>syn</i>-Stereocontrolled Ring Opening of Oxabicyclic Alkenes with Arylsulfonyl Hydrazides.","The Journal of organic chemistry","2019","84","19","12481","12489","10.1021/acs.joc.9b01957","","x-ray","1.54184","CuKα","","0.0699","0.0627","","","0.1477","0.1584","","","","","","1.0415","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033970","12.8387","0.0014","8.758","0.001","15.1578","0.0018","90","","107.408","0.003","90","","1626.3","0.3","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H15 F16 O2 P -","- C37 H15 F16 O2 P -","- C74 H30 F32 O4 P2 -","2","1","","Fujii, Kohei; Ito, Shigekazu; Mikami, Koichi","Synthetic Methodologies for Perfluoroaryl-Substituted (Diaryl)methylphosphonates, -Phosphinates via S<sub>N</sub>Ar Reaction.","The Journal of organic chemistry","2019","84","19","12281","12291","10.1021/acs.joc.9b01402","","","0.71075","MoKα","","0.103","0.0576","","","0.1461","0.1901","","","","","","1.097","","","","has coordinates","222545","2020-10-21","18:00:00",""
"4033971","11.3319","0.0004","12.7598","0.0005","12.8305","0.0005","110.192","0.002","106.603","0.002","101.611","0.002","1573.1","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N O5 S Si -","- C27 H47 N O5 S Si -","- C54 H94 N2 O10 S2 Si2 -","2","1","","Domin, Sylwia; Plata, Paulina; Zambroń, Bartosz K","Diastereoselectivity Switch in the Pd(0)/InI-Mediated Reactions of β-Lactams with Aldehydes: An Entry into Nonracemic Semiprotected (3<i>E</i>)-2,6-Enediols.","The Journal of organic chemistry","2019","84","19","12268","12280","10.1021/acs.joc.9b01471","","","1.54178","CuKα","","0.1349","0.0549","","","0.1087","0.1337","","","","","","1.033","","","","has coordinates","222546","2020-10-21","18:00:00",""
"4033972","11.629","0.002","6.594","0.0013","11.819","0.002","90","","92.98","0.03","90","","905.1","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Becker, Jonathan; Schreiner, Peter R.","Syn-Dihydroxylation of Alkenes Using a Sterically Demanding Cyclic Diacyl Peroxide.","The Journal of organic chemistry","2019","84","19","12377","12386","10.1021/acs.joc.9b01748","","","0.71073","MoKα","","0.1174","0.0485","","","0.0849","0.1005","","","","","","0.948","","","","has coordinates","222547","2020-10-21","18:00:00",""
"4033973","7.8299","0.0006","10.6683","0.0007","12.3114","0.0008","94.019","0.003","106.392","0.003","111.383","0.002","901.29","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 O4 -","- C22 H26 O4 -","- C44 H52 O8 -","2","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Becker, Jonathan; Schreiner, Peter R.","Syn-Dihydroxylation of Alkenes Using a Sterically Demanding Cyclic Diacyl Peroxide.","The Journal of organic chemistry","2019","84","19","12377","12386","10.1021/acs.joc.9b01748","","","0.71073","MoKα","","0.0634","0.0558","","","0.1504","0.1548","","","","","","1.098","","","","has coordinates","222549","2020-10-21","18:00:00",""
"4033974","10.3606","0.0013","12.1928","0.0014","12.3443","0.0013","73.449","0.003","82.756","0.004","85.252","0.004","1481","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N O5 -","- C37 H33 N O5 -","- C74 H66 N2 O10 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1157","0.0576","","","0.1192","0.1396","","","","","","1.025","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033975","8.8231","0.0005","12.02","0.0006","18.5392","0.0009","100.516","0.0015","94.566","0.0017","101.37","0.0017","1881.51","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H45 N O2 -","- C43 H45 N O2 -","- C86 H90 N2 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1158","0.0707","","","0.1901","0.216","","","","","","1.041","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033976","12.465","0.005","13.193","0.005","18.105","0.006","85.557","0.01","88.764","0.011","82.243","0.01","2941.1","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O -","- C36 H34 N2 O -","- C144 H136 N8 O4 -","4","2","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3463","0.1726","","","0.3905","0.4601","","","","","","0.977","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033977","33.92","0.03","17.611","0.01","12.341","0.008","90","","108.56","0.03","90","","6989","9","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N2 O -","- C36 H34 N2 O -","- C288 H272 N16 O8 -","8","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3975","0.1748","","","0.408","0.4684","","","","","","1.057","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033978","12.8692","0.0007","14.8165","0.0008","18.1907","0.0009","94.0352","0.0015","91.0074","0.0015","112.648","0.0014","3189.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Br2 N2 O -","- C34 H28 Br2 N2 O -","- C136 H112 Br8 N8 O4 -","4","2","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1381","0.0608","","","0.1427","0.1744","","","","","","1.016","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033979","9.7033","0.0006","11.3031","0.0006","14.5288","0.0008","109.456","0.0018","99.8627","0.0017","95.9068","0.0018","1458.17","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Cl N2 O3 -","- C35 H31 Cl N2 O3 -","- C70 H62 Cl2 N4 O6 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1068","0.0548","","","0.1149","0.1348","","","","","","1.02","","","","has coordinates,has disorder","222550","2020-10-21","18:00:00",""
"4033980","10.215","0.004","12.438","0.005","13.289","0.004","66.026","0.011","87.403","0.012","73.883","0.012","1477.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Cl N2 O2 -","- C36 H33 Cl N2 O2 -","- C72 H66 Cl2 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.2721","0.0956","","","0.1976","0.259","","","","","","0.986","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033981","9.5778","0.001","11.7023","0.0012","16.5026","0.0017","73.919","0.003","73.572","0.003","84.413","0.003","1704.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 N2 O2 -","- C43 H38 N2 O2 -","- C86 H76 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1212","0.0586","","","0.1297","0.1537","","","","","","1.019","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033982","11.076","0.002","12.665","0.002","14.752","0.003","68.944","0.007","75.455","0.008","68.425","0.007","1778.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H42 N2 O2 -","- C45 H42 N2 O2 -","- C90 H84 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3547","0.1451","","","0.1826","0.224","","","","","","1.099","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033983","9.1","0.0004","14.3544","0.0004","17.5769","0.0007","90","","90","","90","","2295.98","0.15","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H26 Cl N3 O Ru -","- C25 H26 Cl N3 O Ru -","- C100 H104 Cl4 N12 O4 Ru4 -","4","1","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","1.54184","CuKα","","0.0489","0.0425","","","0.1134","0.1236","","","","","","1.064","","","","has coordinates","222551","2020-10-21","18:00:00",""
"4033984","9.2805","0.0005","12.3962","0.0007","16.8806","0.0008","107.261","0.005","92.112","0.004","95.307","0.005","1842.36","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","2","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","0.71073","MoKα","","0.0638","0.0483","","","0.1073","0.1187","","","","","","1.04","","","","has coordinates","222552","2020-10-21","18:00:00",""
"4033985","11.8814","0.0004","19.457","0.0004","11.4871","0.0004","90","","115.705","0.004","90","","2392.75","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","2","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","1.54184","CuKα","","0.053","0.0459","","","0.1248","0.1335","","","","","","1.035","","","","has coordinates","222553","2020-10-21","18:00:00",""
"4033986","8.6904","0.0005","10.4377","0.0006","11.8142","0.0007","79.06","0.002","83.239","0.002","75.759","0.002","1016.99","0.1","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O6 -","- C21 H24 Br N O6 -","- C42 H48 Br2 N2 O12 -","2","1","","Inuki, Shinsuke; Sato, Keisuke; Zui, Naoto; Yamaguchi, Ryosuke; Matsumaru, Takanori; Fujimoto, Yukari","Synthetic Studies on FNC-RED and Its Analogues Containing an All <i>syn</i>-Cyclopentanetetrol Moiety.","The Journal of organic chemistry","2019","84","19","12680","12685","10.1021/acs.joc.9b02101","","","0.71073","MoKα","","0.0339","0.0315","","","0.0842","0.088","","","","","","1.138","","","","has coordinates","222554","2020-10-21","18:00:00",""
"4033987","16.7603","0.0003","16.2554","0.0002","27.9643","0.0005","90","","90","","90","","7618.7","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C75 H14 O3 -","- C75 H14 O3 -","- C600 H112 O24 -","8","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.0878","0.0698","","","0.1671","0.189","","","","","","1.119","","","","has coordinates,has disorder","222555","2020-10-21","18:00:00",""
"4033988","10.1156","0.0002","13.4679","0.0003","28.2219","0.0005","90","","89.999","0.002","90","","3844.84","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H12 O3 S2 -","- C71 H12 O3 S2 -","- C284 H48 O12 S8 -","4","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.1454","0.1343","","","0.3397","0.3519","","","","","","1.05","","","","has coordinates,has disorder","222556","2020-10-21","18:00:00",""
"4033989","18.719","0.004","24.73","0.005","13.634","0.003","90","","90.08","0.03","90","","6311","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N2 O6 -","- C38 H30 N2 O6 -","- C304 H240 N16 O48 -","8","2","","Liu, Rongfang; Qin, Zifeng; Fan, Binbin; Li, Ruifeng; Zhou, Rong; He, Zhengjie","Phosphine-Catalyzed Chemo- and Diastereoselective [2 + 2 + 2] and [3 + 2] Annulations of γ-Methyl Allenoates with Doubly Activated Olefins: Syntheses of Highly Substituted Cyclohexanes and Cyclopentenes.","The Journal of organic chemistry","2019","84","19","12490","12498","10.1021/acs.joc.9b01968","","","0.71073","MoKα","","0.0856","0.0604","","","0.141","0.1559","","","","","","1.052","","","","has coordinates","222557","2020-10-21","18:00:00",""
"4033990","15.402","0.006","12.284","0.004","14.044","0.005","90","","101.07","0.004","90","","2607.7","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O6 -","- C29 H28 N2 O6 -","- C116 H112 N8 O24 -","4","1","","Liu, Rongfang; Qin, Zifeng; Fan, Binbin; Li, Ruifeng; Zhou, Rong; He, Zhengjie","Phosphine-Catalyzed Chemo- and Diastereoselective [2 + 2 + 2] and [3 + 2] Annulations of γ-Methyl Allenoates with Doubly Activated Olefins: Syntheses of Highly Substituted Cyclohexanes and Cyclopentenes.","The Journal of organic chemistry","2019","84","19","12490","12498","10.1021/acs.joc.9b01968","","","0.71073","MoKα","","0.0726","0.0609","","","0.1299","0.1364","","","","","","1.151","","","","has coordinates","222558","2020-10-21","18:00:00",""
"4033991","8.8801","0.0004","10.4479","0.0005","19.147","0.001","90","","91.163","0.004","90","","1776.06","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Li, Yong; Huang, Jiu-Hong; Wang, Juan-Li; Song, Gui-Ting; Tang, Dian-Yong; Yao, Fang; Lin, Hui-Kuan; Yan, Wei; Li, Hong-Yu; Xu, Zhi-Gang; Chen, Zhong-Zhu","Diversity-Oriented Synthesis of Imidazo-Dipyridines with Anticancer Activity via the Groebke-Blackburn-Bienaymé and TBAB-Mediated Cascade Reaction in One Pot.","The Journal of organic chemistry","2019","84","19","12632","12638","10.1021/acs.joc.9b01385","","","0.71073","MoKα","","0.0746","0.0503","","","0.1203","0.1354","","","","","","1.031","","","","has coordinates","222559","2020-10-21","18:00:00",""
"4033992","11.8826","0.0002","14.0278","0.0002","14.7882","0.0003","67.8036","0.0008","70.5153","0.0008","77.3415","0.001","2139.34","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C84 H136 O16 Si4 -","4","2","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0683","0.0463","","","0.1125","0.1246","","","","","","1.079","","","","has coordinates","222560","2020-10-21","18:00:00",""
"4033993","6.4887","0.0004","7.174","0.0004","25.6544","0.0015","90","","93.117","0.004","90","","1192.44","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0558","0.0411","","","0.0977","0.1067","","","","","","1.031","","","","has coordinates","222561","2020-10-21","18:00:00",""
"4033994","7.6989","0.0002","14.1778","0.0003","12.0083","0.0003","90","","105.433","0.002","90","","1263.48","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 O2 -","- C14 H17 O2 -","- C56 H68 O8 -","4","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.16","0.1031","","","0.2106","0.2306","","","","","","1.126","","","","has coordinates,has disorder","222562","2020-10-21","18:00:00",""
"4033995","6.5759","0.0001","7.0819","0.0001","13.0369","0.0003","90.667","0.001","99.802","0.001","100.196","0.001","588.269","0.018","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0412","0.037","","","0.098","0.1017","","","","","","1.064","","","","has coordinates","222563","2020-10-21","18:00:00",""
"4033996","7.7353","0.0003","12.3699","0.0004","17.0299","0.0006","90","","90","","90","","1629.5","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O7 S -","- C14 H21 N O7 S -","- C56 H84 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0242","0.0235","","0.0593","0.0588","0.0593","","","","","","1.0122","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033997","17.1318","0.0007","11.3992","0.0005","7.7486","0.0003","90","","90","","90","","1513.21","0.11","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O7 S -","- C13 H19 N O7 S -","- C52 H76 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0317","0.0298","","0.0779","0.0764","0.0779","","","","","","1.0164","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033998","6.0414","0.0001","18.1188","0.0004","32.9664","0.0006","90","","90","","90","","3608.6","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0285","0.0268","","0.0622","0.0604","0.0621","","","","","","0.9999","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033999","7.9339","0.0002","9.5184","0.0002","50.1703","0.0012","90","","90","","90","","3788.76","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0401","0.0388","","0.0737","0.0735","0.0737","","","","","","0.9965","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034000","7.4709","0.0002","9.7","0.0003","26.3803","0.0006","90","","90","","90","","1911.72","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0276","0.0265","","0.0706","0.0695","0.0706","","","","","","1.0006","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034001","8.5022","0.0001","9.5737","0.0001","21.0075","0.0003","90","","90","","90","","1709.96","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0347","0.0339","","0.0923","0.0907","0.0923","","","","","","1.0054","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034002","9.0485","0.0001","20.726","0.0003","9.711","0.0001","90","","90.9436","0.001","90","","1820.95","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0391","0.038","","0.1011","0.0994","0.1011","","","","","","1.0016","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034003","7.8667","0.0001","8.4699","0.0001","25.7707","0.0003","90","","90","","90","","1717.11","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O8 S2 -","- C13 H19 N O8 S2 -","- C52 H76 N4 O32 S8 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0342","0.0339","","0.0886","0.0881","0.0886","","","","","","1.0094","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034004","11.8798","0.0019","7.2157","0.0011","12.259","0.002","90","","114.56","0.02","90","","955.8","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 S -","- C18 H22 Cl N O5 S -","- C36 H44 Cl2 N2 O10 S2 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0931","0.073","","0.2045","0.1781","0.2045","","","","","","0.9961","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034005","9.3561","0.0003","8.2582","0.0002","10.6327","0.0003","90","","92.674","0.003","90","","820.64","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O7 S2 -","- C13 H19 N O7 S2 -","- C26 H38 N2 O14 S4 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0291","0.029","","0.0767","0.0765","0.0767","","","","","","0.9955","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034006","6.8792","0.0001","9.6131","0.0001","27.6203","0.0004","90","","90","","90","","1826.54","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 S -","- C19 H23 N O5 S -","- C76 H92 N4 O20 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0224","0.0219","","0.0566","0.0561","0.0566","","","","","","0.9954","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034007","15.819","0.0005","6.6125","0.0002","13.7597","0.0005","90","","103.292","0.002","90","","1400.75","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0557","0.0512","","","0.1408","0.1453","","","","","","1.093","","","","has coordinates","222566","2020-10-21","18:00:00",""
"4034008","9.0498","0.0001","6.4259","0.0001","14.3599","0.0002","90","","100.944","0.001","90","","819.89","0.02","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R,2R,5S,6S)-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0427","0.0401","","","0.1034","0.1063","","","","","","1.0637","","","","has coordinates","222567","2020-10-21","18:00:00",""
"4034009","6.2951","0.0001","10.3461","0.0001","10.9731","0.0001","90","","95.099","0.001","90","","711.847","0.015","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0413","0.0399","","","0.1016","0.1031","","","","","","1.068","","","","has coordinates","222568","2020-10-21","18:00:00",""
"4034010","20.0831","0.0009","7.6632","0.0003","10.9517","0.0005","90","","90","","90","","1685.48","0.13","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H14 O -","- C11 H14 O -","- C88 H112 O8 -","8","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0524","0.052","","","0.1317","0.1321","","","","","","1.098","","","","has coordinates","222569","2020-10-21","18:00:00",""
"4034011","13.207","0.003","13.296","0.003","34.839","0.007","90","","90","","90","","6118","2","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 Br N5 O4 -","- C33 H30 Br N5 O4 -","- C264 H240 Br8 N40 O32 -","8","2","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Bifunctional Squaramide-Catalyzed Asymmetric [3 + 2] Cyclization of 2-(1-Methyl-2-oxoindolin-3-yl)malononitriles with Unsaturated Pyrazolones To Construct Spirooxindole-Fused Spiropyrazolones.","The Journal of organic chemistry","2019","84","16","10209","10220","10.1021/acs.joc.9b01268","","","0.71073","MoKα","","0.0528","0.0461","","","0.095","0.0991","","","","","","1.136","","","","has coordinates","222570","2020-10-21","18:00:00",""
"4034012","15.4743","0.0013","5.3473","0.0004","15.7831","0.0013","90","","91.454","0.004","90","","1305.56","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N O2 -","- C12 H14 F3 N O2 -","- C48 H56 F12 N4 O8 -","4","2","","Chen, Mu-Wang; Yang, Qin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Synthesis of Chiral β-Fluoroalkyl β-Amino Acid Derivatives via Palladium-Catalyzed Hydrogenation.","The Journal of organic chemistry","2019","84","16","10371","10379","10.1021/acs.joc.9b01523","","","1.54178","CuKα","","0.064","0.0525","","","0.1437","0.1579","","","","","","1.057","","","","has coordinates,has disorder","222571","2020-10-21","18:00:00",""
"4034013","17.027","0.0004","7.4312","0.00016","6.8749","0.00014","90","","90","","90","","869.89","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H10 N2 O2 S -","- C7 H10 N2 O2 S -","- C28 H40 N8 O8 S4 -","4","1","","Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan","Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.","The Journal of organic chemistry","2019","84","16","10472","10480","10.1021/acs.joc.9b00983","","x-ray","1.54184","CuKα","","0.0348","0.0318","","","0.0783","0.0799","","","","","","1.071","","","","has coordinates","222572","2020-10-21","18:00:00",""
"4034014","12.6732","0.0014","15.4639","0.0007","16.0509","0.0008","114.873","0.002","96.893","0.003","94.6","0.003","2803.2","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl6 F12 N4 O4 Pd2 -","- C53 H37 Cl6 F12 N4 O4 Pd2 -","- C106 H74 Cl12 F24 N8 O8 Pd4 -","2","1","","Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan","Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.","The Journal of organic chemistry","2019","84","16","10472","10480","10.1021/acs.joc.9b00983","","","0.71073","MoKα","","0.053","0.0416","","","0.1044","0.1124","","","","","","1.033","","","","has coordinates","222573","2020-10-21","18:00:00",""
"4034015","29.2218","0.0009","9.7598","0.0004","20.4945","0.0008","90","","91.601","0.003","90","","5842.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C288 H216 N24 O48 -","12","3","","Kumar, Sandeep; Pradhan, Sourav; Roy, Subhasish; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Iron-Catalyzed Regioselective Remote C(sp<sup>2</sup>)-H Carboxylation of Naphthyl and Quinoline Amides.","The Journal of organic chemistry","2019","84","16","10481","10489","10.1021/acs.joc.9b01184","","","0.71073","MoKα","","0.1239","0.0687","","","0.1476","0.1901","","","","","","1.001","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034016","55.259","0.002","21.9278","0.0009","7.1347","0.0003","90","","90","","90","","8645.2","0.6","150","","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H23 N5 O3 S -","- C22 H23 N5 O3 S -","- C352 H368 N80 O48 S16 -","16","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0441","0.0437","","0.1287","0.1274","0.1271","","","","","","1.0196","","","","has coordinates","222575","2020-10-21","18:00:00",""
"4034017","22.113","0.003","9.141","0.008","19.164","0.002","90","","105.731","0.011","90","","3729","3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 N3 O S -","- C46 H39 N3 O S -","- C184 H156 N12 O4 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1486","0.0988","","0.1661","0.1303","0.1661","","","","","","1.0599","","","","has coordinates","222576","2020-10-21","18:00:00",""
"4034018","11.1584","0.0017","15.1108","0.0017","33.728","0.004","90","","90","","90","","5687","1.3","150.01","0.1","150.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H27 N3 O S -","- C35 H27 N3 O S -","- C280 H216 N24 O8 S8 -","8","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1304","0.0692","","0.1516","0.1069","0.1516","","","","","","0.9804","","","","has coordinates,has disorder","222577","2020-10-21","18:00:00",""
"4034019","10.406","0.001","6.819","0.0007","10.517","0.001","90","","102.1","0.01","90","","729.69","0.13","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H13 N3 O S -","- C17 H13 N3 O S -","- C34 H26 N6 O2 S2 -","2","0.5","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0464","0.043","","0.129","0.1236","0.129","","","","","","1.0511","","","","has coordinates","222578","2020-10-21","18:00:00",""
"4034020","11.812","0.0013","12.9977","0.0016","13.5311","0.0015","65.759","0.011","79.321","0.01","87.886","0.01","1859.7","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 N3 O3 S -","- C46 H39 N3 O3 S -","- C92 H78 N6 O6 S2 -","2","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.0903","0.0544","","0.1273","0.0896","0.1273","","","","","","1.0046","","","","has coordinates","222579","2020-10-21","18:00:00",""
"4034021","7.118","0.0008","17.3683","0.0017","11.5631","0.0011","90","","94.347","0.01","90","","1425.4","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.0578","0.0442","","0.0791","0.0666","0.0791","","","","","","1.0181","","","","has coordinates","222580","2020-10-21","18:00:00",""
"4034022","22.307","0.003","9.2796","0.0009","14.2356","0.0017","90","","104.766","0.014","90","","2849.5","0.6","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O3 S -","- C35 H27 N3 O3 S -","- C140 H108 N12 O12 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","1.54184","CuKα","","0.0915","0.0584","","0.1323","0.1029","0.1323","","","","","","0.9892","","","","has coordinates","222581","2020-10-21","18:00:00",""
"4034023","12.7314","0.0008","23.7964","0.0015","7.2381","0.0004","90","","90.855","0.005","90","","2192.6","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","1","","Li, Chen-Long; Yu, Zhi-Xiang","Asymmetric Synthesis of Azepine-Fused Cyclobutanes from Yne-Methylenecyclopropanes Involving Cyclopropanation/C-C Cleavage/Wagner-Meerwein Rearrangement and Reaction Mechanism.","The Journal of organic chemistry","2019","84","16","9913","9928","10.1021/acs.joc.9b01071","","","0.71073","MoKα","","0.0993","0.0718","","","0.1452","0.1552","","","","","","1.007","","","","has coordinates","222583","2020-10-21","18:00:00",""
"4034024","7.0599","0.0001","15.7538","0.0002","20.8421","0.0003","90","","90","","90","","2318.06","0.06","180","0.1","180","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O2 S -","- C27 H24 Br N O2 S -","- C108 H96 Br4 N4 O8 S4 -","4","1","","Li, Chen-Long; Yu, Zhi-Xiang","Asymmetric Synthesis of Azepine-Fused Cyclobutanes from Yne-Methylenecyclopropanes Involving Cyclopropanation/C-C Cleavage/Wagner-Meerwein Rearrangement and Reaction Mechanism.","The Journal of organic chemistry","2019","84","16","9913","9928","10.1021/acs.joc.9b01071","","x-ray","0.71073","MoKα","","0.0273","0.0253","","","0.0659","0.0669","","","","","","1.032","","","","has coordinates","222584","2020-10-21","18:00:00",""
"4034025","15.0815","0.0018","15.0815","0.0018","8.9943","0.0006","90","","90","","90","","2045.8","0.4","143","2","143","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C32 H54 Cd N12 O8 -","- C32 H54 Cd N12 O8 -","- C64 H108 Cd2 N24 O16 -","2","0.25","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71075","MoKα","","0.0319","0.0287","","","0.0699","0.0713","","","","","","1.04","","","","has coordinates,has disorder","222585","2020-10-21","18:00:00",""
"4034026","31.153","0.006","6.5006","0.0014","10.454","0.002","90","","96.184","0.007","90","","2104.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71075","MoKα","","0.1884","0.0842","","","0.1911","0.2428","","","","","","1.003","","","","has coordinates","222586","2020-10-21","18:00:00",""
"4034027","15.1672","0.0015","6.1734","0.0006","10.7592","0.0011","90","","98.628","0.009","90","","996.02","0.17","123","2","123","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H28 N6 -","- C21 H28 N6 -","- C42 H56 N12 -","2","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.0595","0.0474","","","0.1338","0.1409","","","","","","1.107","","","","has coordinates","222587","2020-10-21","18:00:00",""
"4034028","10.1187","0.0006","12.067","0.0007","10.3366","0.0006","90","","94.727","0.005","90","","1257.83","0.13","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H12 Cd N4 O7 -","- C7 H12 Cd N4 O7 -","- C28 H48 Cd4 N16 O28 -","4","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.033","0.0291","","","0.0772","0.078","","","","","","1.127","","","","has coordinates","222588","2020-10-21","18:00:00",""
"4034029","6.1286","0.0004","12.4667","0.0008","9.5271","0.0008","90","","104.044","0.008","90","","706.15","0.09","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N4 -","- C14 H20 N4 -","- C28 H40 N8 -","2","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.0548","0.0439","","","0.1046","0.1106","","","","","","1.1","","","","has coordinates","222589","2020-10-21","18:00:00",""
"4034030","13.6074","0.0006","15.3263","0.0006","32.0745","0.0013","90","","92.113","0.002","90","","6684.6","0.5","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N6 O27 -","- C60 H74 N6 O27 -","- C240 H296 N24 O108 -","4","1","","Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.","The Journal of organic chemistry","2019","84","16","10518","10525","10.1021/acs.joc.9b01463","","","1.54178","CuKα","","0.0771","0.0547","","","0.1359","0.1495","","","","","","1.019","","","","has coordinates","222590","2020-10-21","18:00:00",""
"4034031","5.3084","0.0003","14.0286","0.0008","25.1623","0.0013","90","","90","","90","","1873.82","0.18","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O8 -","- C18 H22 N2 O8 -","- C72 H88 N8 O32 -","4","1","","Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.","The Journal of organic chemistry","2019","84","16","10518","10525","10.1021/acs.joc.9b01463","","x-ray","1.54178","CuKα","","0.0295","0.0271","","","0.0651","0.0662","","","","","","1.033","","","","has coordinates","222591","2020-10-21","18:00:00",""
"4034032","7.2298","0.0008","8.3505","0.0009","16.1942","0.0018","100.223","0.002","97.236","0.002","100.386","0.002","933.71","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0465","0.0444","","","0.1168","0.1188","","","","","","1.064","","","","has coordinates","222592","2020-10-21","18:00:00",""
"4034033","16.1706","0.0015","12.591","0.001","17.2521","0.0014","90","","107.106","0.002","90","","3357.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 F5 N2 O4 S -","- C17 H9 F5 N2 O4 S -","- C136 H72 F40 N16 O32 S8 -","8","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0344","0.0319","","","0.0932","0.0957","","","","","","1.06","","","","has coordinates","222593","2020-10-21","18:00:00",""
"4034034","4.937","0.0001","14.7611","0.0004","17.1017","0.0004","90","","90","","90","","1246.3","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0295","0.0287","","","0.075","0.0758","","","","","","1.048","","","","has coordinates","222594","2020-10-21","18:00:00",""
"4034035","11.189","0.003","11.474","0.002","14.86","0.003","84.479","0.009","87.969","0.01","77.882","0.009","1856.4","0.7","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","2","","Mallick, Rajendra K.; Dutta, Shubham; Vanjari, Rajeshwer; Voituriez, Arnaud; Sahoo, Akhila K.","Thioarylative Radical Cyclization of Yne-Dienone.","The Journal of organic chemistry","2019","84","16","10509","10517","10.1021/acs.joc.9b01445","","","0.71073","MoKα","","0.1453","0.0609","","","0.1083","0.1335","","","","","","1.0631","","","","has coordinates","222595","2020-10-21","18:00:00",""
"4034036","11.454","0.002","9.9349","0.0019","9.8667","0.0017","90","","98.818","0.007","90","","1109.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl F2 N O2 -","- C10 H8 Cl F2 N O2 -","- C40 H32 Cl4 F8 N4 O8 -","4","1","","Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao","Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds.","The Journal of organic chemistry","2019","84","16","10449","10458","10.1021/acs.joc.9b01808","","","0.71073","MoKα","","0.0544","0.0468","","","0.1357","0.1452","","","","","","1.042","","","","has coordinates","222596","2020-10-21","18:00:00",""
"4034037","4.6067","0.0006","9.4142","0.0012","11.9555","0.0015","84.496","0.005","87.781","0.005","89.35","0.005","515.7","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cl F N O2 -","- C10 H9 Cl F N O2 -","- C20 H18 Cl2 F2 N2 O4 -","2","1","","Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao","Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds.","The Journal of organic chemistry","2019","84","16","10449","10458","10.1021/acs.joc.9b01808","","","0.71073","MoKα","","0.0405","0.0367","","","0.1058","0.1096","","","","","","1.07","","","","has coordinates","222597","2020-10-21","18:00:00",""
"4034038","6.79503","0.0001","9.34296","0.00015","12.13842","0.00019","70.5234","0.0005","84.0295","0.0005","84.7558","0.0005","721.255","0.019","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl N3 O2 -","- C16 H14 Cl N3 O2 -","- C32 H28 Cl2 N6 O4 -","2","1","","Donikela, Sangeetha; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Metal Free Domino β-Azidation/[3 + 2] Cycloaddition Reaction for the Synthesis of 1,2,3-Triazole-Fused Dihydrobenzoxazinones.","The Journal of organic chemistry","2019","84","16","10546","10553","10.1021/acs.joc.9b01660","","","0.71073","MoKα","","0.0555","0.0429","","","0.1093","0.117","","","","","","1.025","","","","has coordinates","222598","2020-10-21","18:00:00",""
"4034039","8.9488","0.0015","10.0892","0.0016","10.5117","0.0017","88.917","0.005","87.835","0.005","71.809","0.005","901","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br2 Cl Cu N4 -","- C18 H11 Br2 Cl Cu N4 -","- C36 H22 Br4 Cl2 Cu2 N8 -","2","1","","Das, Siuli; Sinha, Suman; Samanta, Deepannita; Mondal, Rakesh; Chakraborty, Gargi; Brandaõ, Paula; Paul, Nanda D.","Metal-Ligand Cooperative Approach To Achieve Dehydrogenative Functionalization of Alcohols to Quinolines and Quinazolin-4(3<i>H</i>)-ones under Mild Aerobic Conditions.","The Journal of organic chemistry","2019","84","16","10160","10171","10.1021/acs.joc.9b01343","","","0.71073","MoKα","","0.0774","0.0553","","","0.1001","0.1124","","","","","","1.165","","","","has coordinates","222599","2020-10-21","18:00:00",""
"4034040","8.4055","0.0009","9.6574","0.001","10.6928","0.0011","67.685","0.003","70.571","0.003","66.514","0.003","719.45","0.13","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O -","- C18 H28 O -","- C36 H56 O2 -","2","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0581","0.0427","","","0.0998","0.1095","","","","","","1.045","","","","has coordinates","222600","2020-10-21","18:00:00",""
"4034041","8.3036","0.0012","8.4034","0.0012","11.042","0.0017","83.627","0.007","87.534","0.007","87.47","0.006","764.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 Cl6 -","- C34 H30 Cl6 -","- C34 H30 Cl6 -","1","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0972","0.088","","","0.2958","0.3012","","","","","","1.139","","","","has coordinates,has disorder","222601","2020-10-21","18:00:00",""
"4034042","8.3688","0.0007","12.6818","0.0011","12.7859","0.0011","109.626","0.002","95.549","0.003","90.117","0.003","1271.3","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 O2 -","- C32 H40 O2 -","- C64 H80 O4 -","2","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0567","0.0413","","","0.1081","0.1187","","","","","","1.032","","","","has coordinates","222602","2020-10-21","18:00:00",""
"4034043","13.8935","0.0015","7.9659","0.0009","11.9709","0.0013","90","","93.358","0.001","90","","1322.6","0.3","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 -","- C36 H36 -","- C72 H72 -","2","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","x-ray","0.79942","synchrotron","","0.0427","0.0407","","","0.1014","0.1031","","","","","","1.069","","","","has coordinates","222603","2020-10-21","18:00:00",""
"4034044","30.492","0.003","6.8073","0.0008","12.6172","0.0014","90","","90.618","0.002","90","","2618.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C36 H36 -","- C36 H36 -","- C144 H144 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0422","0.0377","","","0.0933","0.0968","","","","","","1.035","","","","has coordinates","222604","2020-10-21","18:00:00",""
"4034045","12.2567","0.0012","17.8763","0.0018","13.3141","0.0013","90","","103.004","0.002","90","","2842.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 O2 -","- C38 H44 O2 -","- C152 H176 O8 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0602","0.043","","","0.1045","0.1183","","","","","","1.025","","","","has coordinates","222605","2020-10-21","18:00:00",""
"4034046","9.7346","0.0002","10.0564","0.0002","10.2632","0.0002","106.851","0.001","109.506","0.001","105.474","0.001","829.51","0.03","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H52 -","- C44 H52 -","- C44 H52 -","1","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0412","0.038","","","0.1053","0.1088","","","","","","1.008","","","","has coordinates","222606","2020-10-21","18:00:00",""
"4034047","13.0562","0.0004","14.1031","0.0004","22.1469","0.0006","82.25","0.001","74.037","0.001","62.82","0.001","3487.58","0.18","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H52 -","- C44 H52 -","- C176 H208 -","4","2","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0565","0.0415","","","0.0993","0.11","","","","","","1.023","","","","has coordinates","222607","2020-10-21","18:00:00",""
"4034048","18.9017","0.0016","26.689","0.003","6.9776","0.0006","90","","90","","90","","3520","0.6","152","2","152","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C44 H52 -","- C44 H52 -","- C176 H208 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","1.54178","CuKα","","0.0598","0.0347","","","0.0789","0.0829","","","","","","1.016","","","","has coordinates,has disorder","222608","2020-10-21","18:00:00",""
"4034049","20.807","0.005","10.896","0.003","10.885","0.003","90","","100.437","0.005","90","","2426.9","1.1","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 Fe N4 O3 -","- C23 H19 F3 Fe N4 O3 -","- C92 H76 F12 Fe4 N16 O12 -","4","1","","Han, Liuqing; Li, Ke; Xu, Haitong; Mei, Tao; Sun, Yali; Qu, Jingping; Song, Yuming","<i>N</i>-TFA-Gly-Bt-Based Stereoselective Synthesis of Substituted 3-Amino Tetrahydro-2<i>H</i>-pyran-2-ones via an Organocatalyzed Cascade Process.","The Journal of organic chemistry","2019","84","16","10526","10534","10.1021/acs.joc.9b01488","","","0.71073","MoKα","","0.062","0.055","","","0.1383","0.1424","","","","","","1.001","","","","has coordinates","222609","2020-10-21","18:00:00",""
"4034050","7.0218","0.0015","11.174","0.002","13.221","0.003","90","","90","","90","","1037.3","0.4","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Bi, Hong-Yan; Du, Min; Pan, Cheng-Xue; Xiao, Yuhong; Su, Gui-Fa; Mo, Dong-Liang","Nickel(II)-Catalyzed [5 + 1] Annulation of 2-Carbonyl-1-propargylindoles with Hydroxylamine To Synthesize Pyrazino[1,2-<i>a</i>]indole-2-oxides in Water.","The Journal of organic chemistry","2019","84","16","9859","9868","10.1021/acs.joc.9b00784","","","0.71073","MoKα","","0.0442","0.0355","","","0.0923","0.1001","","","","","","1.041","","","","has coordinates","222610","2020-10-21","18:00:00",""
"4034051","10.2715","0.0008","16.4258","0.0014","18.109","0.002","90","","90","","90","","3055.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 Cl N2 O3 -","- C36 H35 Cl N2 O3 -","- C144 H140 Cl4 N8 O12 -","4","1","","Lu, Hong; Zhang, Huan-Xin; Tan, Chang-Yin; Liu, Jin-Yu; Wei, Hao; Xu, Peng-Fei","One-Pot Asymmetric Synthesis of Spiropyrazolone-Linked Cyclopropanes and Benzofurans through a General Michael Addition/Chlorination/Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2019","84","16","10292","10305","10.1021/acs.joc.9b01454","","","0.71073","MoKα","","0.0785","0.0515","","","0.0956","0.1126","","","","","","1.05","","","","has coordinates","222611","2020-10-21","18:00:00",""
"4034052","10.5347","0.0006","29.1222","0.0016","8.5149","0.0004","90","","111.16","0.006","90","","2436.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N3 O4 S -","- C27 H26 N3 O4 S -","- C108 H104 N12 O16 S4 -","4","1","","Lu, Hong; Zhang, Huan-Xin; Tan, Chang-Yin; Liu, Jin-Yu; Wei, Hao; Xu, Peng-Fei","One-Pot Asymmetric Synthesis of Spiropyrazolone-Linked Cyclopropanes and Benzofurans through a General Michael Addition/Chlorination/Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2019","84","16","10292","10305","10.1021/acs.joc.9b01454","","","1.54184","CuKα","","0.0598","0.0523","","","0.1421","0.1486","","","","","","1.098","","","","has coordinates","222612","2020-10-21","18:00:00",""
"4034053","9.0345","0.0006","13.5168","0.0006","9.3716","0.0006","90","","113.131","0.008","90","","1052.43","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.0394","0.0359","","","0.0799","0.0824","","","","","","1.027","","","","has coordinates","222613","2020-10-21","18:00:00",""
"4034054","12.2321","0.0015","7.4711","0.0009","13.3738","0.0016","90","","110.067","0.003","90","","1148","0.2","300","","300.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.08","0.0575","","","0.1405","0.1563","","","","","","1.037","","","","has coordinates,has disorder","222614","2020-10-21","18:00:00",""
"4034055","9.024","0.0009","13.3762","0.0013","18.311","0.002","90","","103.731","0.003","90","","2147.1","0.4","273","0.2","273","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl N2 O4 S -","- C21 H23 Cl N2 O4 S -","- C84 H92 Cl4 N8 O16 S4 -","4","1","","Hajra, Saumen; Hazra, Atanu; Abu Saleh, S. K.","One-Pot Synthesis of Enantiopure Spiro[3,4-dihydrobenzo[<i>b</i>][1,4]oxazine-2,3'-oxindole] via Regio- and Stereoselective Tandem Ring Opening/Cyclization of Spiroaziridine Oxindoles with Bromophenols.","The Journal of organic chemistry","2019","84","16","10412","10421","10.1021/acs.joc.9b01611","","","0.71073","MoKα","","0.0421","0.0405","","","0.1042","0.1057","","","","","","1.037","","","","has coordinates","222615","2020-10-21","18:00:00",""
"4034056","13.8238","0.001","16.1894","0.0012","31.377","0.002","90","","90","","90","","7022.1","0.9","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H72 Cl2 N6 O22 Si2 -","- C60 H72 Cl2 N6 O22 Si2 -","- C240 H288 Cl8 N24 O88 Si8 -","4","1","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","","0.71073","MoKα","","0.1613","0.0456","","","0.0985","0.1229","","","","","","0.886","","","","has coordinates,has disorder","222616","2020-10-21","18:00:00",""
"4034057","7.5537","0.0007","12.8817","0.0011","13.5102","0.0013","107.124","0.008","94.728","0.008","90.025","0.007","1251.6","0.2","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C27 H22 Cl N3 O8 -","- C27 H22 Cl N3 O8 -","- C54 H44 Cl2 N6 O16 -","2","2","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","x-ray","0.71073","MoKα","","0.0745","0.0465","","","0.1021","0.1093","","","","","","0.913","","","","has coordinates","222617","2020-10-21","18:00:00",""
"4034058","7.7056","0.0003","19.3654","0.0009","10.8728","0.0005","90","","107.45","0.002","90","","1547.79","0.12","153","2","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 Cu N4 O4 S2 -","- C36 H26 Cu N4 O4 S2 -","- C72 H52 Cu2 N8 O8 S4 -","2","1","","Jiang, Yi; Feng, Yi-Yue; Zou, Jiao-Xia; Lei, Shuai; Hu, Xiao-Ling; Yin, Gao-Feng; Tan, Wen; Wang, Zhen","Brønsted Base-Switched Selective Mono- and Dithiolation of Benzamides via Copper Catalysis.","The Journal of organic chemistry","2019","84","16","10490","10500","10.1021/acs.joc.9b01237","","","1.54178","CuKα","","0.059","0.0569","","","0.1434","0.1464","","","","","","1.078","","","","has coordinates","222618","2020-10-21","18:00:00",""
"4034059","7.847","0.002","10.175","0.002","15.325","0.004","108.76","0.02","96.67","0.02","96.47","0.02","1136","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Cu N4 O4 S4 -","- C48 H34 Cu N4 O4 S4 -","- C48 H34 Cu N4 O4 S4 -","1","0.5","","Jiang, Yi; Feng, Yi-Yue; Zou, Jiao-Xia; Lei, Shuai; Hu, Xiao-Ling; Yin, Gao-Feng; Tan, Wen; Wang, Zhen","Brønsted Base-Switched Selective Mono- and Dithiolation of Benzamides via Copper Catalysis.","The Journal of organic chemistry","2019","84","16","10490","10500","10.1021/acs.joc.9b01237","","","0.71073","MoKα","","0.1521","0.0731","","","0.0963","0.1333","","","","","","0.978","","","","has coordinates","222619","2020-10-21","18:00:00",""
"4034060","7.1623","0.0001","11.1474","0.0002","14.1885","0.0003","90.75","0.002","90.793","0.002","101.35","0.002","1110.42","0.04","116","0.3","116","0.3","","","","","","","","6","P -1","-P 1","2","boron complex","(8,8-difluoro-6-phenyl-8H-8(lambda)4,9(lambda)4-benzo[e]pyrido[1’,2’:1,6][1,3,2]diazaborinino[5,4,3-hi]indol-5-yl)(phenyl)methanone","","- C30 H19 B F2 N2 O -","- C30 H19 B F2 N2 O -","- C60 H38 B2 F4 N4 O2 -","2","1","","Bodunov, Vladimir A.; Galenko, Ekaterina E.; Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Selective Cu-Catalyzed Intramolecular Annulation of 3-Aryl/Heteryl-2-(diazoacetyl)-1<i>H</i>-pyrroles: Synthesis of Benzo/Furo/Thieno[<i>e</i>]-Fused 1<i>H</i>-Indol-7-oles and Their Transformations.","The Journal of organic chemistry","2019","84","16","10388","10401","10.1021/acs.joc.9b01573","","x-ray","1.54184","CuKα","","0.0389","0.0356","","","0.096","0.0989","","","","","","1.051","","","","has coordinates","222620","2020-10-21","18:00:00",""
"4034061","10.5184","0.0002","10.7815","0.0002","20.6909","0.0005","90","","103.304","0.002","90","","2283.46","0.08","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","quinone","1-acetyl-2-methyl-3H-benzo[e]indole-4,5-dione","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","","Bodunov, Vladimir A.; Galenko, Ekaterina E.; Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Selective Cu-Catalyzed Intramolecular Annulation of 3-Aryl/Heteryl-2-(diazoacetyl)-1<i>H</i>-pyrroles: Synthesis of Benzo/Furo/Thieno[<i>e</i>]-Fused 1<i>H</i>-Indol-7-oles and Their Transformations.","The Journal of organic chemistry","2019","84","16","10388","10401","10.1021/acs.joc.9b01573","","x-ray","1.54184","CuKα","","0.0405","0.0386","","","0.104","0.1056","","","","","","1.07","","","","has coordinates","222621","2020-10-21","18:00:00",""
"4034062","9.2336","0.0004","9.4539","0.0004","11.6746","0.0006","81.955","0.001","89.103","0.001","82.394","0.001","1000.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F5 N3 O -","- C21 H18 F5 N3 O -","- C42 H36 F10 N6 O2 -","2","1","","Yang, Jinyue; Fu, Xiaopan; Tang, Shibiao; Deng, Kezuan; Zhang, Lili; Yang, Xianjin; Ji, Yafei","2-Amino-5,6-difluorophenyl-1<i>H</i>-pyrazole-Directed Pd<sup>II</sup> Catalysis: Arylation of Unactivated β-C(sp<sup>3</sup>)-H Bonds.","The Journal of organic chemistry","2019","84","16","10221","10236","10.1021/acs.joc.9b01276","","","0.71073","MoKα","","0.0676","0.0501","","","0.1212","0.1361","","","","","","1.039","","","","has coordinates,has disorder","222622","2020-10-21","18:00:00",""
"4034063","10.3951","0.0002","9.1572","0.0002","14.132","0.0003","90","","104.577","0.001","90","","1301.92","0.05","170","2","170.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Lv, Ningning; Chen, Zhengkai; Liu, Zhanxiang; Zhang, Yuhong","Redox-Neutral Rhodium(III)-Catalyzed Annulation of Arylhydrazines with Sulfoxonium Ylides To Synthesize 2-Arylindoles.","The Journal of organic chemistry","2019","84","20","13013","13021","10.1021/acs.joc.9b01815","","","0.71073","MoKα","","0.0582","0.0435","","","0.1028","0.1127","","","","","","1.031","","","","has coordinates","222623","2020-10-21","18:00:00",""
"4034064","8.2685","0.0015","11.592","0.002","16.655","0.003","90","","97.756","0.007","90","","1581.8","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.168","0.1184","","","0.2772","0.2999","","","","","","1.146","","","","has coordinates","222624","2020-10-21","18:00:00",""
"4034065","8.1193","0.001","9.9517","0.0014","11.3151","0.0015","72.109","0.005","74.999","0.004","83.021","0.005","839.53","0.19","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0773","0.0711","","","0.2108","0.2311","","","","","","1.03","","","","has coordinates","222625","2020-10-21","18:00:00",""
"4034066","9.8862","0.0016","10.4984","0.0017","16.003","0.002","90","","93.23","0.005","90","","1658.3","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.064","0.044","","","0.1035","0.114","","","","","","1.021","","","","has coordinates","222626","2020-10-21","18:00:00",""
"4034067","8.1744","0.0008","10.4984","0.0012","11.0518","0.0013","100.538","0.004","104.424","0.004","110.934","0.003","818.25","0.16","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0399","0.0351","","","0.0913","0.0959","","","","","","1.012","","","","has coordinates","222627","2020-10-21","18:00:00",""
"4034068","8.0869","0.001","24.59","0.003","8.1","0.001","90","","97.428","0.005","90","","1597.2","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0487","0.0427","","","0.1056","0.11","","","","","","1.025","","","","has coordinates","222628","2020-10-21","18:00:00",""
"4034069","13.5363","0.0013","15.9433","0.0016","15.9965","0.0015","90","","109.348","0.003","90","","3257.3","0.5","250","","250","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C160 H112 Cl8 N8 O8 -","8","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.1329","0.1061","","","0.2629","0.2833","","","","","","1.348","","","","has coordinates","222629","2020-10-21","18:00:00",""
"4034070","15.6137","0.0003","9.3076","0.0002","16.1577","0.0004","90","","115.593","0.003","90","","2117.75","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Lin, Peng-Peng; Han, Xiang-Lei; Ye, Guo-Hua; Li, Ji-Lin; Li, Qingjiang; Wang, Honggen","Cp*Co(III)-Catalyzed Dearomative [3 + 2] Spiroannulation of 2-Alkenylphenols with Ynamides via C-H Activation.","The Journal of organic chemistry","2019","84","20","12966","12974","10.1021/acs.joc.9b01750","","x-ray","1.54184","CuKα","","0.1246","0.1133","","","0.3116","0.3554","","","","","","1.587","","","","has coordinates","222630","2020-10-21","18:00:00",""
"4034071","7.4014","0.0005","7.4304","0.0007","13.2449","0.0009","102.731","0.007","90.884","0.006","112.838","0.008","650.66","0.1","271.94","0.1","271.94","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl N2 O2 S -","- C14 H9 Cl N2 O2 S -","- C28 H18 Cl2 N4 O4 S2 -","2","1","","Liu, Deming; Luo, Puying; Ge, Junying; Jiang, Zilin; Peng, Yiyuan; Ding, Qiuping","Synthesis of 2-Arylbenzothiazole and 2-Arylthiazole Derivatives via a Ru-Catalyzed <i>meta</i>-Selective C-H Nitration Reaction.","The Journal of organic chemistry","2019","84","20","12784","12791","10.1021/acs.joc.9b01194","","x-ray","0.71073","MoKα","","0.0734","0.0548","","","0.122","0.132","","","","","","1.08","","","","has coordinates","222631","2020-10-21","18:00:00",""
"4034072","6.4889","0.0004","7.9019","0.0006","43.923","0.003","90","","90","","90","","2252.1","0.3","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 -","- C31 H23 N3 -","- C124 H92 N12 -","4","1","","Benzai, Amal; Shi, Xinzhe; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Late-Stage Diversification of Imidazole-Based Pharmaceuticals through Pd-Catalyzed Regioselective C-H Bond Arylations.","The Journal of organic chemistry","2019","84","20","13135","13143","10.1021/acs.joc.9b01469","","x-ray","0.71073","MoKα","","0.0878","0.0752","","","0.2019","0.21","","","","","","1.058","","","","has coordinates","222632","2020-10-21","18:00:00",""
"4034073","10.0462","0.0018","18.268","0.003","13.217","0.003","90","","101.997","0.007","90","","2372.7","0.8","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C128 H96 N8 -","4","1","","Benzai, Amal; Shi, Xinzhe; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Late-Stage Diversification of Imidazole-Based Pharmaceuticals through Pd-Catalyzed Regioselective C-H Bond Arylations.","The Journal of organic chemistry","2019","84","20","13135","13143","10.1021/acs.joc.9b01469","","x-ray","0.71073","MoKα","","0.1847","0.1206","","","0.2457","0.2761","","","","","","1.074","","","","has coordinates","222633","2020-10-21","18:00:00",""
"4034074","10.6027","0.0002","10.6027","0.0002","26.41","0.0005","90","","90","","120","","2571.18","0.08","298","2","298","2","","","","","","","","4","P 61","P 61","169","","N-(1-(tert-Butylcarbamoyl)cyclohexyl)picolinamide","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C102 H150 N18 O12 -","6","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.0479","0.0453","","","0.1075","0.1107","","","","","","1.125","","","","has coordinates","222634","2020-10-21","18:00:00",""
"4034075","10.286","0.003","16.253","0.006","13.955","0.005","90","","100.124","0.015","90","","2296.6","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(1-(tert-Butylcarbamoyl)-3-(4-nitrophenyl)-cyclohexyl)-picolinamide","","- C23 H28 N4 O4 -","- C23 H28 N4 O4 -","- C92 H112 N16 O16 -","4","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.1447","0.0705","","","0.1449","0.18","","","","","","1.018","","","","has coordinates","222635","2020-10-21","18:00:00",""
"4034076","9.2453","0.0002","12.0977","0.0002","13.4707","0.0002","93.963","0.001","101.701","0.001","111.325","0.001","1357.37","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 3-(tert-butylcarbamoyl)-5-phenyl-3-(picolinamido)piperidine-1-carboxylate","","- C27 H36 N4 O4 -","- C27 H36 N4 O4 -","- C54 H72 N8 O8 -","2","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.0448","0.041","","","0.1086","0.1126","","","","","","1.038","","","","has coordinates","222636","2020-10-21","18:00:00",""
"4034077","11.38","0.0001","11.3812","0.0001","12.3023","0.0002","111.073","0.001","116.203","0.001","91.803","0.001","1299.13","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 O3 -","- C36 H26 O3 -","- C72 H52 O6 -","2","1","","Chen, Honghao; Ouyang, Lufeng; Liu, Jidan; Shi, Wen-Jing; Chen, Guoshu; Zheng, Liyao","Synthesis of Multisubstituted 1-Naphthoic Acids via Ru-Catalyzed C-H Activation and Double-Alkyne Annulation under Air.","The Journal of organic chemistry","2019","84","20","12755","12763","10.1021/acs.joc.9b00926","","x-ray","1.54184","CuKα","","0.0395","0.0371","","","0.0986","0.1003","","","","","","1.0654","","","","has coordinates","222637","2020-10-21","18:00:00",""
"4034078","8.4821","0.0016","9.528","0.002","11.401","0.002","86.007","0.007","81.243","0.008","78.568","0.007","891.9","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O2 -","- C25 H20 O2 -","- C50 H40 O4 -","2","1","","Chen, Honghao; Ouyang, Lufeng; Liu, Jidan; Shi, Wen-Jing; Chen, Guoshu; Zheng, Liyao","Synthesis of Multisubstituted 1-Naphthoic Acids via Ru-Catalyzed C-H Activation and Double-Alkyne Annulation under Air.","The Journal of organic chemistry","2019","84","20","12755","12763","10.1021/acs.joc.9b00926","","","0.71073","MoKα","","0.1318","0.0721","","","0.1256","0.1503","","","","","","1.108","","","","has coordinates","222638","2020-10-21","18:00:00",""
"4034079","9.19","0.0009","10.8639","0.0006","17.9645","0.0009","72.864","0.005","76.772","0.006","80.111","0.006","1657.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N4 O6 S -","- C35 H24 N4 O6 S -","- C70 H48 N8 O12 S2 -","2","1","","Zhang, Zhiguo; Li, Xiang; Song, Mengmeng; Wan, Yameng; Zheng, Dan; Zhang, Guisheng; Chen, Gong","Selective Removal of Aminoquinoline Auxiliary by IBX Oxidation.","The Journal of organic chemistry","2019","84","20","12792","12799","10.1021/acs.joc.9b01362","","x-ray","1.54184","CuKα","","0.0911","0.0685","","","0.1886","0.2026","","","","","","1.063","","","","has coordinates","222639","2020-10-21","18:00:00",""
"4034080","9.4331","0.0002","12.4697","0.0004","18.5213","0.0005","90","","90","","90","","2178.62","0.1","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Sun, Manman; Wu, Haijian; Xia, Xiangyu; Chen, Weida; Wang, Zhiming; Yang, Jianguo","Asymmetric Palladium-Catalyzed C-H Functionalization Cascade for Synthesis of Chiral 3,4-Dihydroisoquinolones.","The Journal of organic chemistry","2019","84","20","12835","12847","10.1021/acs.joc.9b01372","","","0.71073","MoKα","","0.035","0.0313","","","0.0773","0.0805","","","","","","1.049","","","","has coordinates","222640","2020-10-21","18:00:00",""
"4034081","10.19794","0.00019","17.6415","0.0003","14.5974","0.0003","90","","104.874","0.0018","90","","2538.18","0.09","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O3 -","- C33 H28 O3 -","- C132 H112 O12 -","4","1","","Ramesh, Perla; Satyanarayana, Gedu","Palladium-Catalyzed Aerobic Oxidative Coupling of <i>ortho</i>-(Alkynyl)styrenes with Allylic Alcohols via 6-<i>endo-dig</i> Cyclization: Regioselective Construction of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2019","84","20","12856","12870","10.1021/acs.joc.9b01240","","x-ray","1.54184","CuKα","","0.0607","0.0447","","","0.1139","0.131","","","","","","1.0894","","","","has coordinates","222641","2020-10-21","18:00:00",""
"4034082","12.5839","0.0002","15.2015","0.0002","10.7111","0.0001","90","","100.011","0.001","90","","2017.77","0.05","296.06","0.1","296.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N O S -","- C27 H17 N O S -","- C108 H68 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","x-ray","1.54184","CuKα","","0.0481","0.0394","","","0.1036","0.1073","","","","","","1.115","","","","has coordinates","222642","2020-10-21","18:00:00",""
"4034083","11.8934","0.0006","14.5713","0.0006","10.7128","0.0006","90","","104.724","0.005","90","","1795.59","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O S2 -","- C21 H13 N O S2 -","- C84 H52 N4 O4 S8 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","","0.71073","MoKα","","0.0942","0.0664","","","0.1963","0.2197","","","","","","1.028","","","","has coordinates","222643","2020-10-21","18:00:00",""
"4034084","12.1945","0.0011","14.576","0.0014","10.7976","0.0011","90","","104.165","0.01","90","","1860.9","0.3","289.1","0.4","289.1","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","x-ray","0.71073","MoKα","","0.0565","0.0441","","","0.1058","0.1127","","","","","","1.06","","","","has coordinates","222644","2020-10-21","18:00:00",""
"4034085","11.6854","0.0001","14.1168","0.0001","15.8786","0.0002","90","","105.34","0.001","90","","2526.02","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cl0 N O S -","- C29 H19 N O S -","- C116 H76 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","","1.54184","CuKα","","0.0422","0.0364","","","0.0971","0.1003","","","","","","1.05","","","","has coordinates","222645","2020-10-21","18:00:00",""
"4034086","13.1404","0.0004","15.1572","0.0005","17.8921","0.0006","66.287","0.002","68.975","0.002","80.956","0.002","3045.16","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H86 O2 P2 Pd -","- C58 H86 O2 P2 Pd -","- C116 H172 O4 P4 Pd2 -","2","1","","Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min","Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes.","The Journal of organic chemistry","2019","84","20","12913","12924","10.1021/acs.joc.9b01619","","","0.71073","MoKα","","0.0516","0.0401","","","0.0958","0.1015","","","","","","1.026","","","","has coordinates","222646","2020-10-21","18:00:00",""
"4034087","9.7128","0.0017","9.7128","0.0017","12.1114","0.0018","90","","90","","120","","989.5","0.3","173","2","173","2","","","","","","","","4","P 31","P 31","144","","","","- C17 H13 N S -","- C17 H13 N S -","- C51 H39 N3 S3 -","3","1","","Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min","Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes.","The Journal of organic chemistry","2019","84","20","12913","12924","10.1021/acs.joc.9b01619","","","0.71073","MoKα","","0.0316","0.0291","","","0.0708","0.0727","","","","","","1.05","","","","has coordinates","222648","2020-10-21","18:00:00",""
"4034088","9.2862","0.0005","6.9345","0.0004","16.3887","0.0008","90","","104.558","0.002","90","","1021.47","0.1","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Singh, Diksha; Kumar, Gangam Srikanth; Kapur, Manmohan","Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones.","The Journal of organic chemistry","2019","84","20","12881","12892","10.1021/acs.joc.9b01536","","","0.71073","MoKα","","0.1424","0.0733","","","0.1319","0.156","","","","","","1.069","","","","has coordinates","222649","2020-10-21","18:00:00",""
"4034089","9.5579","0.0008","7.3213","0.0006","10.5955","0.0009","90","","98.392","0.003","90","","733.49","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","","Singh, Diksha; Kumar, Gangam Srikanth; Kapur, Manmohan","Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones.","The Journal of organic chemistry","2019","84","20","12881","12892","10.1021/acs.joc.9b01536","","","0.71073","MoKα","","0.0937","0.0549","","","0.1254","0.1516","","","","","","0.81","","","","has coordinates","222650","2020-10-21","18:00:00",""
"4034090","15.4508","0.0001","7.7143","0.0001","16.5076","0.0001","90","","92.558","0.001","90","","1965.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-CF3PhPy)","","","- C22 H22 Cl F3 N Rh -","- C22 H22 Cl F3 N Rh -","- C88 H88 Cl4 F12 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.027","0.0266","","","0.0685","0.0689","","","","","","1.096","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034091","7.3494","0.0002","15.8182","0.0003","15.8765","0.0003","90","","90","","90","","1845.71","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp*RhCl(4-ClPhPy)","","","- C21 H22 Cl2 N Rh -","- C21 H22 Cl2 N Rh -","- C84 H88 Cl8 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0492","0.0466","","","0.134","0.1368","","","","","","1.085","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034092","7.9195","0.0001","12.0428","0.0001","12.3369","0.0001","92.107","0.001","106.389","0.001","103.329","0.001","1091.84","0.02","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Cp*RhCl(4-CNPhPy)","","","- C25 H25 Cl N2 Rh -","- C25 H25 Cl N2 Rh -","- C50 H50 Cl2 N4 Rh2 -","2","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0335","0.0332","","","0.0823","0.0825","","","","","","1.139","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034093","15.2807","0.0007","7.7634","0.0004","16.2421","0.0008","90","","93.03","0.004","90","","1924.11","0.16","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-MePhPy)","","","- C22 H25 Cl N Rh -","- C22 H25 Cl N Rh -","- C88 H100 Cl4 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","0.71073","MoKα","","0.034","0.0293","","","0.0667","0.0689","","","","","","1.047","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034094","11.5636","0.0001","7.5652","0.0001","24.188","0.0002","90","","99.451","0.001","90","","2087.27","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Cp*RhCl(4-iPrPhPy)","","","- C24 H29 Cl N Rh -","- C24 H29 Cl N Rh -","- C96 H116 Cl4 N4 Rh4 -","4","2","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0348","0.0342","","","0.0902","0.0907","","","","","","1.081","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034095","18.7685","0.0002","7.4531","0.0001","16.4415","0.0002","90","","100.344","0.001","90","","2262.52","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-tBuPhPy)","","","- C25 H31 Cl N Rh -","- C25 H31 Cl N Rh -","- C100 H124 Cl4 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0451","0.0421","","","0.1177","0.1203","","","","","","1.088","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034096","11.9245","0.0006","14.9405","0.0008","15.1635","0.0007","78.7988","0.0016","70.9373","0.0015","72.4842","0.0016","2421.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 F6 N O5 Ru -","- C23 H21 F6 N O5 Ru -","- C92 H84 F24 N4 O20 Ru4 -","4","2","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.71073","MoKα","","0.0653","0.0431","","","0.0808","0.0996","","","","","","1.166","","","","has coordinates,has disorder","222652","2020-10-21","18:00:00",""
"4034097","8.1949","0.0003","34.3121","0.0012","8.5478","0.0003","90","","107.134","0.0012","90","","2296.84","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 F6 N O4 Ru -","- C23 H21 F6 N O4 Ru -","- C92 H84 F24 N4 O16 Ru4 -","4","1","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.71073","MoKα","","0.0482","0.0397","","","0.07","0.0719","","","","","","1.214","","","","has coordinates","222653","2020-10-21","18:00:00",""
"4034098","10.125","0.002","13.337","0.003","22.762","0.005","86.02","0.03","89.99","0.03","79.1","0.03","3010.7","1.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F3 N -","- C20 H12 F3 N -","- C160 H96 F24 N8 -","8","4","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.73","synchrotron","","0.1194","0.0643","","","0.1728","0.1979","","","","","","0.91","","","","has coordinates,has disorder","222654","2020-10-21","18:00:00",""
"4034099","7.0781","0.0001","7.4819","0.0001","27.9855","0.0003","90","","90","","90","","1482.05","0.03","293","2","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H10 Cl2 O -","- C19 H10 Cl2 O -","- C76 H40 Cl8 O4 -","4","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0737","0.0745","","","","","","1.046","","","","has coordinates","222655","2020-10-21","18:00:00",""
"4034100","7.3457","0.0001","14.9098","0.0001","17.6269","0.0002","103.534","0.001","99.819","0.001","102.03","0.001","1786.23","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 N2 O -","- C49 H34 N2 O -","- C98 H68 N4 O2 -","2","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.0571","0.0518","","","0.1447","0.1505","","","","","","1.084","","","","has coordinates","222657","2020-10-21","18:00:00",""
"4034101","7.6739","0.0002","3.9538","0.0001","36.2385","0.001","90","","92.626","0.002","90","","1098.36","0.05","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1","","- C14 H9 Br O -","- C14 H9 Br O -","- C56 H36 Br4 O4 -","4","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.0506","0.0464","","","0.1348","0.1399","","","","","","1.069","","","","has coordinates","222658","2020-10-21","18:00:00",""
"4034102","7.8786","0.0009","10.9544","0.0013","29.561","0.003","90","","90","","90","","2551.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","nagib01","nagib01","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C96 H96 F24 N8 O24 S8 -","8","1","","Nakafuku, Kohki M.; Twumasi, Raymond K.; Vanitcha, Avassaya; Wappes, Ethan A.; Namitharan, Kayambu; Bekkaye, Mathieu; Nagib, David A.","Development of an Imine Chaperone for Selective C-H Functionalization of Alcohols via Radical Relay.","The Journal of organic chemistry","2019","84","20","13065","13072","10.1021/acs.joc.9b02052","","","0.71073","MoKα","","0.0429","0.0393","","","0.0863","0.0878","","","","","","1.172","","","","has coordinates","222659","2020-10-21","18:00:00",""
"4034103","4.8454","0.0002","15.6407","0.0007","19.1694","0.0008","90","","96.044","0.003","90","","1444.69","0.11","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Ethyl-6,7-Dimethoxy-2-methyl-1-thia-4a,9-diazafluoren-4-one","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","","","0.71073","MoKα","","0.0764","0.058","","","0.1456","0.155","","","","","","1.207","","","","has coordinates","222660","2020-10-21","18:00:00",""
"4034104","7.4456","0.0004","18.9043","0.0012","17.1999","0.001","90","","90.17","0.003","90","","2420.9","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-2-methyl-1-thia-4a,9-diazafluoren-4-one","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","2","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","powder diffraction","","1.54059","CuKα~1~","","","0.08488","","","0.08488","","","0.06324","0.9859","","","","","","","has coordinates","222661","2020-10-21","18:00:00",""
"4034105","7.4512","0.0002","10.1767","0.0003","13.2955","0.0004","90","","94.481","0.002","90","","1005.1","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1-thia-4a,9-diazafluoren-4-one","","- C11 H8 N2 O S -","- C11 H8 N2 O S -","- C44 H32 N8 O4 S4 -","4","1","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","","","0.71073","MoKα","","0.09","0.0789","","","0.239","0.2558","","","","","","1.09","","","","has coordinates","222662","2020-10-21","18:00:00",""
"4034106","11.188","0.003","7.6803","0.0019","26.991","0.007","90","","90","","90","","2319.3","1","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0524","0.0511","","","0.1059","0.1065","","","","","","1.236","","","","has coordinates","222663","2020-10-21","18:00:00",""
"4034107","8.431","0.002","9.685","0.002","20.623","0.006","90","","90","","90","","1684","0.7","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0499","0.0487","","","0.1208","0.1218","","","","","","1.129","","","","has coordinates","222664","2020-10-21","18:00:00",""
"4034108","8.2418","0.0005","11.7243","0.0006","8.9435","0.0006","90","","93.134","0.007","90","","862.91","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 I O6 -","- C16 H21 I O6 -","- C32 H42 I2 O12 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0468","0.0361","","","0.0614","0.0703","","","","","","1.067","","","","has coordinates","222665","2020-10-21","18:00:00",""
"4034109","7.3685","0.0004","4.8732","0.0002","13.2304","0.0007","90","","95.679","0.005","90","","472.75","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C22 H28 O4 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","1.54184","CuKα","","0.0435","0.0401","","","0.1033","0.1079","","","","","","1.044","","","","has coordinates","222666","2020-10-21","18:00:00",""
"4034110","23.5783","0.0005","23.5783","0.0005","8.8815","0.0004","90","","90","","90","","4937.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23.38 H26.75 Cl0.75 I N O7 -","- C23.373 H26.746 Cl0.747 I N O7 -","- C186.984 H213.968 Cl5.976 I8 N8 O56 -","8","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.1086","0.0463","","","0.0884","0.1111","","","","","","1.019","","","","has coordinates","222667","2020-10-21","18:00:00",""
"4034111","11.2585","0.0004","9.2137","0.0003","21.7771","0.0008","90","","101.02","0.004","90","","2217.34","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O7 -","- C20 H27 I O7 -","- C80 H108 I4 O28 -","4","2","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0458","0.0346","","","0.0621","0.0694","","","","","","1.063","","","","has coordinates","222669","2020-10-21","18:00:00",""
"4034112","7.9064","0.0003","10.648","0.0005","13.6105","0.0007","77.336","0.004","89.782","0.004","72.319","0.004","1062.72","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 I N O7 -","- C21 H22 I N O7 -","- C42 H44 I2 N2 O14 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0654","0.0514","","","0.1231","0.133","","","","","","1.076","","","","has coordinates","222670","2020-10-21","18:00:00",""
"4034113","10.9366","0.0004","10.9366","0.0004","17.1631","0.0008","90","","90","","90","","2052.86","0.14","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","2","P 42 b c","P 4c -2ab","106","","","","- C13 H8 -","- C13 H8 -","- C104 H64 -","8","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.1141","0.0931","","","0.2256","0.251","","","","","","1.014","","","","has coordinates,has disorder","222671","2020-10-21","18:00:00",""
"4034114","5.8515","0.0002","8.3931","0.0003","16.8969","0.0006","90","","93.307","0.001","90","","828.46","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.0482","0.0445","","","0.1181","0.1201","","","","","","1.166","","","","has coordinates","222672","2020-10-21","18:00:00",""
"4034115","22.3659","0.0008","9.9919","0.0004","10.6756","0.0004","90","","113.801","0.001","90","","2182.86","0.14","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N4 -","- C25 H28 N4 -","- C100 H112 N16 -","4","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.0485","0.0437","","","0.1168","0.1208","","","","","","1.073","","","","has coordinates,has disorder","222673","2020-10-21","18:00:00",""
"4034116","8.6776","0.0003","10.6049","0.0003","10.8506","0.0004","90","","90","","90","","998.53","0.06","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 I N2 -","- C8 H11 I N2 -","- C32 H44 I4 N8 -","4","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0247","0.0211","","","0.0446","0.046","","","","","","1.053","","","","has coordinates","222674","2020-10-21","18:00:00",""
"4034117","15.4514","0.001","7.7992","0.0005","7.9194","0.0004","90","","93.005","0.002","90","","953.04","0.1","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0522","0.0463","","","0.1297","0.1345","","","","","","1.095","","","","has coordinates","222675","2020-10-21","18:00:00",""
"4034118","13.8295","0.0006","5.7329","0.0002","9.3551","0.0003","90","","102.868","0.002","90","","723.07","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br4 -","- C13 H8 Br4 -","- C26 H16 Br8 -","2","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0229","0.0184","","","0.0394","0.0411","","","","","","1.054","","","","has coordinates","222676","2020-10-21","18:00:00",""
"4034119","53.283","0.002","7.945","0.0002","20.8497","0.0007","90","","91.672","0.004","90","","8822.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56.5 H45 Cl N4 O6 -","- C56.5 H45 Cl N4 O6 -","- C452 H360 Cl8 N32 O48 -","8","1","","Zhu, Shuai; Chen, Chunqi; Duan, Kang; Sun, Yun-Ming; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian","Cascade [1,5]-Hydride Transfer/Cyclization for Synthesis of [3,4]-Fused Oxindoles.","The Journal of organic chemistry","2019","84","13","8440","8448","10.1021/acs.joc.9b00489","","","1.54184","CuKα","","0.0955","0.0725","","","0.2203","0.2434","","","","","","1.039","","","","has coordinates","222677","2020-10-21","18:00:00",""
"4034120","12.582","0.0008","13.6273","0.0006","15.1251","0.001","90","","110.973","0.007","90","","2421.5","0.3","299.42","0.1","299.42","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C116 H92 N4 O12 S4 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1159","0.0637","","","0.1287","0.166","","","","","","1.068","","","","has coordinates","222678","2020-10-21","18:00:00",""
"4034121","11.2893","0.0008","9.7656","0.0007","20.2278","0.0018","90","","104.025","0.009","90","","2163.6","0.3","291.4","0.1","291.4","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1094","0.0649","","","0.1411","0.1768","","","","","","1.062","","","","has coordinates","222679","2020-10-21","18:00:00",""
"4034122","13.1392","0.0008","9.4856","0.0005","15.3103","0.0011","90","","96.132","0.007","90","","1897.3","0.2","293.35","0.1","293.35","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","","0.71073","MoKα","","0.1283","0.0747","","","0.1588","0.1969","","","","","","0.993","","","","has coordinates","222680","2020-10-21","18:00:00",""
"4034123","12.3814","0.0006","10.2462","0.0006","26.6255","0.0012","90","","100.897","0.005","90","","3316.9","0.3","292.82","0.1","292.82","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 O2 -","- C22 H15 O2 -","- C176 H120 O16 -","8","2","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1774","0.1127","","","0.2058","0.2356","","","","","","1.088","","","","has coordinates,has disorder","222681","2020-10-21","18:00:00",""
"4034124","9.0034","0.0007","15.0541","0.0013","17.4228","0.0014","90","","90","","90","","2361.5","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 B O P -","- C24 H36 B O P -","- C96 H144 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0915","0.0483","","","0.0952","0.1093","","","","","","1.043","","","","has coordinates","222682","2020-10-21","18:00:00",""
"4034125","10.5199","0.0009","14.3662","0.0012","15.8505","0.0014","90","","90","","90","","2395.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 O2 P -","- C26 H37 O2 P -","- C104 H148 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1025","0.05","","","0.0889","0.1031","","","","","","1.008","","","","has coordinates","222683","2020-10-21","18:00:00",""
"4034126","16.4461","0.0014","10.0756","0.0009","19.0236","0.0017","90","","91.813","0.001","90","","3150.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C132 H180 B6 O6 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0886","0.0493","","","0.0884","0.1002","","","","","","0.975","","","","has coordinates","222684","2020-10-21","18:00:00",""
"4034127","15.7436","0.0013","15.7436","0.0013","19.151","0.003","90","","90","","120","","4110.8","0.8","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H33 Cl2 O P Pd -","- C24 H33 Cl2 O P Pd -","- C144 H198 Cl12 O6 P6 Pd6 -","6","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0438","0.0294","","","0.0602","0.0654","","","","","","1.071","","","","has coordinates","222685","2020-10-21","18:00:00",""
"4034128","12.7166","0.0013","25.022","0.002","15.1067","0.0015","90","","90.917","0.002","90","","4806.3","0.8","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H66 Cl2 O2 P2 Pd -","- C48 H66 Cl2 O2 P2 Pd -","- C192 H264 Cl8 O8 P8 Pd4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1902","0.103","","","0.2287","0.2675","","","","","","1.103","","","","has coordinates","222686","2020-10-21","18:00:00",""
"4034129","9.6073","0.0009","19.9161","0.0018","11.0248","0.0011","90","","102.281","0.002","90","","2061.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H54 Cl2 O2 P2 Pd -","- C44 H54 Cl2 O2 P2 Pd -","- C88 H108 Cl4 O4 P4 Pd2 -","2","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0407","0.0327","","","0.0724","0.0771","","","","","","1.055","","","","has coordinates","222687","2020-10-21","18:00:00",""
"4034130","13.5362","0.0011","13.5362","0.0011","10.578","0.0009","90","","90","","90","","1938.2","0.3","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H27 O P -","- C22 H27 O P -","- C88 H108 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.078","0.0494","","","0.1312","0.1537","","","","","","1.051","","","","has coordinates","222688","2020-10-21","18:00:00",""
"4034131","9.0198","0.0007","16.1608","0.0012","16.3197","0.0013","90","","102.423","0.003","90","","2323.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 B O3 P S -","- C22 H30 B O3 P S -","- C88 H120 B4 O12 P4 S4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.073","0.045","","","0.1015","0.1142","","","","","","1.076","","","","has coordinates","222689","2020-10-21","18:00:00",""
"4034132","8.5527","0.0007","13.8487","0.0011","18.3984","0.0016","90","","90","","90","","2179.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 B O2 P -","- C22 H32 B O2 P -","- C88 H128 B4 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.061","0.04","","","0.086","0.0956","","","","","","1.076","","","","has coordinates","222690","2020-10-21","18:00:00",""
"4034133","10.2807","0.0009","22.03","0.002","19.2697","0.0018","90","","103.151","0.004","90","","4249.8","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C176 H240 B8 O8 P8 -","8","4","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1756","0.0627","","","0.0608","0.0713","","","","","","0.963","","","","has coordinates","222691","2020-10-21","18:00:00",""
"4034134","7.587","0.0007","17.8366","0.0014","19.0669","0.0015","90","","90","","90","","2580.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 B O P -","- C26 H40 B O P -","- C104 H160 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1438","0.0618","","","0.1376","0.1686","","","","","","1.006","","","","has coordinates","222692","2020-10-21","18:00:00",""
"4034135","10.0256","0.0009","13.1759","0.0011","24.608","0.002","90","","97.774","0.002","90","","3220.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29.66667 O2.33333 P -","- C23 H29.6667 O2.33333 P -","- C138 H178 O14 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1164","0.0593","","","0.1005","0.1216","","","","","","1.069","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034136","19.6012","0.0017","10.1533","0.001","9.6226","0.0007","90","","91.135","0.005","90","","1914.7","0.3","199","2","199","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 O4 P -","- C18 H27 O4 P -","- C72 H108 O16 P4 -","4","1","","Gnawali, Giri Raj; Rath, Nigam P.; Spilling, Christopher D.","Synthesis of Phostones via the Palladium-Catalyzed Ring Opening of Epoxy Vinyl Phosphonates.","The Journal of organic chemistry","2019","84","13","8724","8730","10.1021/acs.joc.9b00905","","","0.71073","MoKα","","0.1024","0.0567","","","0.1315","0.1565","","","","","","1.018","","","","has coordinates,has disorder","222694","2020-10-21","18:00:00",""
"4034137","15.323","0.004","12.952","0.004","16.534","0.004","90","","90.376","0.007","90","","3281.3","1.5","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C52 H32 -","- C52 H32 -","- C208 H128 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.1985","0.0664","","","0.1413","0.196","","","","","","0.929","","","","has coordinates","222695","2020-10-21","18:00:00",""
"4034138","26.541","0.006","8.0612","0.0019","14.582","0.003","90","","103.98","0.006","90","","3027.4","1.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 F8 -","- C48 H16 F8 -","- C192 H64 F32 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.2089","0.1676","","","0.4476","0.4729","","","","","","1.897","","","","has coordinates","222696","2020-10-21","18:00:00",""
"4034139","10.9509","0.001","14.4026","0.001","11.1531","0.0008","90","","115.094","0.005","90","","1593","0.2","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0604","0.0421","","","0.0984","0.1098","","","","","","1.031","","","","has coordinates","222697","2020-10-21","18:00:00",""
"4034140","4.0737","0.0006","14.151","0.002","14.771","0.002","66.388","0.003","86.076","0.004","82.825","0.004","773.95","0.19","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H20 Cl4 -","- C48 H20 Cl4 -","- C48 H20 Cl4 -","1","0.5","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0777","0.0644","","","0.164","0.1787","","","","","","1.079","","","","has coordinates","222698","2020-10-21","18:00:00",""
"4034141","9.9545","0.0004","13.0972","0.0005","14.456","0.0006","113.902","0.002","103.281","0.003","92.305","0.002","1658.07","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C104 H64 O8 -","4","2","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0913","0.0628","","","0.1788","0.2065","","","","","","1.04","","","","has coordinates","222699","2020-10-21","18:00:00",""
"4034142","12.5946","0.0003","7.8888","0.0002","14.168","0.0003","90","","90.068","0.001","90","","1407.68","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F2 -","- C24 H10 F2 -","- C96 H40 F8 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0656","0.0583","","","0.176","0.1836","","","","","","1.075","","","","has coordinates","222700","2020-10-21","18:00:00",""
"4034143","9.9243","0.0005","11.2351","0.0005","11.9359","0.0006","62.2087","0.0019","73.887","0.002","78.909","0.002","1127.99","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C56 H50 N2 O8 -","2","1","","Tamilarasan, V. John; Srinivasan, Kannupal","SnCl<sub>4</sub>-Promoted [3+2] Annulation of γ-Butyrolactone-Fused Donor-Acceptor Cyclopropanes with Nitriles: Access to γ-Butyrolactone-Fused 1-Pyrrolines.","The Journal of organic chemistry","2019","84","13","8782","8787","10.1021/acs.joc.9b01155","","","0.71073","MoKα","","0.0869","0.0565","","","0.1491","0.1728","","","","","","1.033","","","","has coordinates","222701","2020-10-21","18:00:00",""
"4034144","10.3107","0.0006","10.3829","0.0005","17.4771","0.001","104.728","0.002","100.754","0.002","96.778","0.002","1750.59","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","2","","Tamilarasan, V. John; Srinivasan, Kannupal","SnCl<sub>4</sub>-Promoted [3+2] Annulation of γ-Butyrolactone-Fused Donor-Acceptor Cyclopropanes with Nitriles: Access to γ-Butyrolactone-Fused 1-Pyrrolines.","The Journal of organic chemistry","2019","84","13","8782","8787","10.1021/acs.joc.9b01155","","","0.71073","MoKα","","0.0502","0.0425","","","0.1105","0.116","","","","","","1.03","","","","has coordinates","222702","2020-10-21","18:00:00",""
"4034145","7.6613","0.0013","11.554","0.002","15.043","0.002","111.486","0.006","95.884","0.007","99.339","0.007","1203.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0617","0.0446","","","0.1202","0.131","","","","","","0.957","","","","has coordinates","222703","2020-10-21","18:00:00",""
"4034146","9.113","0.0003","12.457","0.0005","16.989","0.0007","90","","100.217","0.002","90","","1898.02","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br N2 O3 -","- C22 H15 Br N2 O3 -","- C88 H60 Br4 N8 O12 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0744","0.0397","","","0.0997","0.117","","","","","","0.958","","","","has coordinates","222704","2020-10-21","18:00:00",""
"4034147","10.4313","0.0012","9.4929","0.001","14.4559","0.0017","90","","106.149","0.004","90","","1375","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0578","0.0465","","","0.1108","0.1182","","","","","","1.125","","","","has coordinates","222705","2020-10-21","18:00:00",""
"4034148","9.2227","0.0007","8.7759","0.0007","15.2553","0.0013","90","","95.299","0.003","90","","1229.45","0.17","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0487","0.0386","","","0.0996","0.1062","","","","","","1.055","","","","has coordinates","222706","2020-10-21","18:00:00",""
"4034149","10.9214","0.0003","12.1231","0.0004","13.9512","0.0004","90","","90","","90","","1847.16","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H17 F3 O4 S2 -","- C18 H17 F3 O4 S2 -","- C72 H68 F12 O16 S8 -","4","1","","Chandu, Palasetty; Ghosh, Krishna Gopal; Sureshkumar, Devarajulu","Metal-Free Visible-Light-Promoted Trifluoromethylation of Vinylcyclopropanes Using Pyrylium Salt as a Photoredox Catalyst.","The Journal of organic chemistry","2019","84","13","8771","8781","10.1021/acs.joc.9b01033","","x-ray","0.71073","MoKα","","0.0331","0.0326","","","0.0913","0.0918","","","","","","1.099","","","","has coordinates","222707","2020-10-21","18:00:00",""
"4034150","10.6391","0.0003","12.2077","0.0004","14.2342","0.0004","98.516","0.002","96.25","0.001","115.038","0.001","1625.89","0.09","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 B2 F8 N6 O Ru -","- C28 H26 B2 F8 N6 O Ru -","- C56 H52 B4 F16 N12 O2 Ru2 -","2","1","","Joarder, Dripta De; Gayen, Subrata; Sarkar, Rajarshi; Bhattacharya, Rajarshi; Roy, Sima; Maiti, Dilip K.","(Ar-tpy)Ru<sup>II</sup>(ACN)<sub>3</sub>: A Water-Soluble Catalyst for Aldehyde Amidation, Olefin Oxo-Scissoring, and Alkyne Oxygenation.","The Journal of organic chemistry","2019","84","13","8468","8480","10.1021/acs.joc.9b00487","","","0.71073","MoKα","","0.0548","0.0461","","","0.1426","0.1499","","","","","","1.125","","","","has coordinates","222708","2020-10-21","18:00:00",""
"4034151","22.9027","0.0014","11.4163","0.0006","10.272","0.0006","90","","93.066","0.004","90","","2681.9","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 B F2 N2 O2 -","- C35 H25 B F2 N2 O2 -","- C140 H100 B4 F8 N8 O8 -","4","0.5","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78238","Synchrotron","","0.0734","0.0401","","","0.0858","0.1185","","","","","","1.155","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034152","19.7722","0.0009","21.744","0.0009","10.5225","0.0005","90","","104.462","0.003","90","","4380.6","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B Cl6 F2 N2 O8 -","- C43 H39 B Cl6 F2 N2 O8 -","- C172 H156 B4 Cl24 F8 N8 O32 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78192","Synchrotron","","0.1579","0.0753","","","0.178","0.2195","","","","","","0.938","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034153","20.4379","0.0013","4.9001","0.0004","29.209","0.002","90","","103.516","0.005","90","","2844.2","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.12 H25.24 B F2 N2 O2.71 -","- C37.13 H25.26 B F2 N2 O2.71 -","- C148.52 H101.04 B4 F8 N8 O10.84 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78228","Synchrotron","","0.1412","0.0789","","","0.1943","0.2676","","","","","","1.09","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034154","10.0677","0.0018","15.21","0.003","16.893","0.003","107.238","0.007","105.281","0.007","103.689","0.007","2239.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H63 B Cl F2 N3 O3 -","- C51 H63 B Cl F2 N3 O3 -","- C102 H126 B2 Cl2 F4 N6 O6 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7022","Synchrotron","","0.097","0.0618","","","0.1495","0.1696","","","","","","0.966","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034155","27.017","0.006","13.446","0.003","14.381","0.003","90","","90","","90","","5224","2","90","2","90","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C64 H56 B Cl4 F2 N5 O2 -","- C64 H56 B Cl4 F2 N5 O2 -","- C256 H224 B4 Cl16 F8 N20 O8 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7829","Synchrotron","","0.1549","0.0692","","","0.1396","0.1838","","","","","","0.968","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034156","13.714","0.005","17.058","0.007","18.026","0.007","90","","93.14","0.005","90","","4211","3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H57 B Cl F2 N3 O2 -","- C51 H57 B Cl F2 N3 O2 -","- C204 H228 B4 Cl4 F8 N12 O8 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7829","Synchrotron","","0.1518","0.0905","","","0.2385","0.3302","","","","","","1.149","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034157","11.483","0.0005","14.3961","0.0006","17.1745","0.0007","100.007","0.003","96.081","0.003","110.114","0.003","2582.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H69 B Cl F2 N3 O8 -","- C57 H69 B Cl F2 N3 O8 -","- C114 H138 B2 Cl2 F4 N6 O16 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78229","Synchrotron","","0.0587","0.0449","","","0.0972","0.1215","","","","","","1.208","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034158","13.0397","0.0014","13.3327","0.0015","24.376","0.003","102.779","0.007","91.159","0.006","108.947","0.008","3889.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H100 B Cl4 F2 N5 O8 -","- C88 H100 B Cl4 F2 N5 O8 -","- C176 H200 B2 Cl8 F4 N10 O16 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.4307","Synchrotron","","0.103","0.0593","","","0.1389","0.1582","","","","","","1.023","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034159","14.418","0.004","18.761","0.006","6.767","0.002","90","","90","","90","","1830.4","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","1","","Liu, Jian-Quan; Chen, Xinyi; Shatskiy, Andrey; Kärkäs, Markus D; Wang, Xiang-Shan","Silver-Mediated Synthesis of Substituted Benzofuran- and Indole-Pyrroles via Sequential Reaction of <i>ortho</i>-Alkynylaromatics with Methylene Isocyanides.","The Journal of organic chemistry","2019","84","14","8998","9006","10.1021/acs.joc.9b00528","","","0.71073","MoKα","","0.0519","0.0416","","","0.0919","0.096","","","","","","1.069","","","","has coordinates","222710","2020-10-21","18:00:00",""
"4034160","9.1245","0.0001","23.3744","0.0001","14.4458","0.0001","90","","102.969","0.001","90","","3002.4","0.04","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","2","","Matsuoka, Junpei; Kumagai, Hiroshi; Inuki, Shinsuke; Oishi, Shinya; Ohno, Hiroaki","Construction of the Pyrrolo[2,3-<i>d</i>]carbazole Core of Spiroindoline Alkaloids by Gold-Catalyzed Cascade Cyclization of Ynamide.","The Journal of organic chemistry","2019","84","14","9358","9363","10.1021/acs.joc.9b01149","","x-ray","1.54184","CuKα","","0.0409","0.0398","","","0.1042","0.1048","","","","","","1.049","","","","has coordinates","222711","2020-10-21","18:00:00",""
"4034161","10.6851","0.0004","11.3861","0.0005","11.7403","0.0005","65.531","0.004","64.231","0.004","76.602","0.004","1168.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C48 H54 N2 O14 S2 -","2","1","","Xing, Siyang; Xia, Hanyu; Guo, Junshuo; Zou, Chenchen; Gao, Tingxuan; Wang, Kui; Zhu, Bolin; Pei, Meiqi; Bai, Mengpei","Diastereoselective Construction of 2-Aminoindanones via an In(OTf)<sub>3</sub>-Catalyzed Domino Reaction.","The Journal of organic chemistry","2019","84","14","8984","8997","10.1021/acs.joc.9b00876","","x-ray","1.54184","CuKα","","0.0585","0.0523","","","0.1471","0.1572","","","","","","0.985","","","","has coordinates,has disorder","222712","2020-10-21","18:00:00",""
"4034162","7.5297","0.0006","18.5627","0.0015","18.726","0.0015","90","","90","","90","","2617.4","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54184","CuKα","","0.0279","0.0278","","","0.071","0.0711","","","","","","1.074","","","","has coordinates","222713","2020-10-21","18:00:00",""
"4034163","7.51","0.005","35.163","0.011","10.914","0.003","90","","91.743","0.014","90","","2881","2","220","","220","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O8 -","- C32 H38 O8 -","- C128 H152 O32 -","4","2","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54178","CuKα","","0.0684","0.0473","","","0.1044","0.1157","","","","","","1.024","","","","has coordinates,has disorder","222713","2020-10-21","18:00:00",""
"4034164","19.3947","0.0006","17.2114","0.0005","25.7129","0.0008","90","","90","","90","","8583.2","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H20 O2 -","- C81 H20 O2 -","- C648 H160 O16 -","8","1","","Yamada, Michio; Takizawa, Mayu; Nukatani, Yoko; Suzuki, Mitsuaki; Maeda, Yutaka","Synthesis of Fullerene-Fluorene Dyads through the Platinum-Catalyzed Reactions of [60]Fullerene with 9-Ethynyl-9<i>H</i>-fluoren-9-yl Carboxylates.","The Journal of organic chemistry","2019","84","14","9025","9033","10.1021/acs.joc.9b00932","","","0.71073","MoKα","","0.101","0.0597","","","0.1391","0.177","","","","","","1.054","","","","has coordinates,has disorder","222714","2020-10-21","18:00:00",""
"4034165","33.5971","0.0016","33.5971","0.0016","33.5971","0.0016","90","","90","","90","","37923","3","150","0.1","150","0.1","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C56 H58 O13 -","- C56 H58 O13 -","- C1344 H1392 O312 -","24","1","","Baydoun, Orsola; De Rycke, Nicolas; Léonce, Estelle; Boutin, Céline; Berthault, Patrick; Jeanneau, Erwann; Brotin, Thierry","Synthesis of Cryptophane-223-Type Derivatives with Dual Functionalization.","The Journal of organic chemistry","2019","84","14","9127","9137","10.1021/acs.joc.9b01093","","x-ray","1.54184","CuKα","","0.1103","0.0778","","0.1891","0.1422","0.1891","","","","","","0.9952","","","","has coordinates","222715","2020-10-21","18:00:00",""
"4034166","10.4602","0.0015","8.879","0.0013","18.151","0.003","90","","106.568","0.004","90","","1615.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F3 N O3 S -","- C13 H24 F3 N O3 S -","- C52 H96 F12 N4 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0713","0.0466","","","0.105","0.1158","","","","","","1.066","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034167","20.03","0.0012","8.5887","0.0003","28.2407","0.0018","90","","98.171","0.005","90","","4809","0.5","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 F3 N3 O3 S -","- C20 H36 F3 N3 O3 S -","- C160 H288 F24 N24 O24 S8 -","8","2","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1482","0.0606","","","0.1562","0.1936","","","","","","0.842","","","","has coordinates,has disorder","222716","2020-10-21","18:00:00",""
"4034168","8.7974","0.0018","10.427","0.002","15.597","0.003","73.43","0.03","77.51","0.03","87.06","0.03","1338.8","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 F3 N3 O3 S -","- C24 H44 F3 N3 O3 S -","- C48 H88 F6 N6 O6 S2 -","2","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1596","0.0745","","","0.1785","0.2073","","","","","","1.02","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034169","11.416","0.002","14.042","0.003","12.413","0.003","90","","95.89","0.03","90","","1979.3","0.7","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N3 -","- C20 H37 N3 -","- C80 H148 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1269","0.0576","","","0.1303","0.1566","","","","","","0.912","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034170","15.158","0.004","7.8326","0.0018","17.317","0.006","90","","113.75","0.03","90","","1881.9","1","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 N3 -","- C19 H35 N3 -","- C76 H140 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.1457","0.09","","","0.1857","0.2073","","","","","","1.017","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034171","9.6837","0.0006","23.2094","0.0017","9.7883","0.0007","90","","94.731","0.006","90","","2192.5","0.3","120.02","0.1","120.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N3 -","- C22 H41 N3 -","- C88 H164 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0673","0.0434","","","0.1013","0.1104","","","","","","1.025","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034172","7.529","0.0015","11.82","0.002","14","0.003","90","","99.35","0.03","90","","1229.3","0.4","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 F6 N3 O6 S2 -","- C17 H27 F6 N3 O6 S2 -","- C34 H54 F12 N6 O12 S4 -","2","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.0581","0.0479","","","0.1194","0.1263","","","","","","1.069","","","","has coordinates,has disorder","222716","2020-10-21","18:00:00",""
"4034173","13.3215","0.0017","14.6644","0.0009","14.9986","0.0009","112.115","0.002","102.089","0.002","101.858","0.002","2520.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 F3 N3 O3 S -","- C22 H40 F3 N3 O3 S -","- C88 H160 F12 N12 O12 S4 -","4","2","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0748","0.0532","","","0.1271","0.1386","","","","","","1.067","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034174","15.3035","0.0009","9.3897","0.0004","12.7018","0.0006","90","","97.535","0.005","90","","1809.43","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N3 -","- C18 H33 N3 -","- C72 H132 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.081","0.0606","","","0.1343","0.1425","","","","","","1.039","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034175","10.5457","0.0003","12.63","0.0004","12.6514","0.0004","90","","106.302","0.001","90","","1617.32","0.09","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br N2 O5 S -","- C16 H13 Br N2 O5 S -","- C64 H52 Br4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhang, Hong; Chen, Xue-Lian; Qu, Ya-Li; Zhu, Qianqian; Feng, Chen-Guo; Chen, Ya-Jing","Regio- and Diastereoselective Access to 4-Imidazolidinones via an Aza-Mannich Initiated Cyclization of Sulfamate-Derived Cyclic Imines with α-Halo Hydroxamates.","The Journal of organic chemistry","2019","84","14","9179","9187","10.1021/acs.joc.9b01128","","","1.54178","cukα","","0.0331","0.0316","","","0.1093","0.1125","","","","","","0.956","","","","has coordinates","222717","2020-10-21","18:00:00",""
"4034176","8.2432","0.0002","30.8623","0.0009","7.5935","0.0002","90","","114.179","0.001","90","","1762.34","0.08","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br N2 O5 S -","- C17 H15 Br N2 O5 S -","- C68 H60 Br4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhang, Hong; Chen, Xue-Lian; Qu, Ya-Li; Zhu, Qianqian; Feng, Chen-Guo; Chen, Ya-Jing","Regio- and Diastereoselective Access to 4-Imidazolidinones via an Aza-Mannich Initiated Cyclization of Sulfamate-Derived Cyclic Imines with α-Halo Hydroxamates.","The Journal of organic chemistry","2019","84","14","9179","9187","10.1021/acs.joc.9b01128","","","1.54178","cukα","","0.0385","0.0384","","","0.1007","0.1008","","","","","","1.162","","","","has coordinates","222718","2020-10-21","18:00:00",""
"4034177","13.58","0.003","15.99","0.003","16.32","0.003","75.75","0.03","83.99","0.03","65.84","0.03","3133.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","1","0.5","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.0983","0.0726","","","0.1689","0.1893","","","","","","1.032","","","","has coordinates,has disorder","222719","2020-10-21","18:00:00",""
"4034178","48.205","0.01","10.714","0.002","23.955","0.005","90","","117.53","0.03","90","","10971","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C230 H280 N48 O58 S7 -","- C230 H280 N48 O58 S7 -","- C460 H560 N96 O116 S14 -","2","0.25","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.80246","synchrotron","","0.0905","0.0699","","","0.1652","0.1797","","","","","","1.045","","","","has coordinates,has disorder","222720","2020-10-21","18:00:00",""
"4034179","11.232","0.002","11.984","0.002","12.359","0.003","93.83","0.03","115.42","0.03","94.22","0.03","1489.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72.6 N12 O10.3 S2 -","- C60 H72.6 N12 O10.3 S2 -","- C60 H72.6 N12 O10.3 S2 -","1","0.5","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.1093","0.0651","","","0.1501","0.172","","","","","","1.003","","","","has coordinates,has disorder","222721","2020-10-21","18:00:00",""
"4034180","14.357","0.003","15.749","0.003","30.441","0.006","84.29","0.03","77.01","0.03","63.61","0.03","6008","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C119.75 H153.5 N24 O25 -","- C119.75 H153.5 N24 O25 -","- C239.5 H307 N48 O50 -","2","1","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.1506","0.0909","","","0.1765","0.2044","","","","","","1.023","","","","has coordinates,has disorder","222722","2020-10-21","18:00:00",""
"4034181","9.185","0.0005","10.8127","0.0006","13.1573","0.0007","66.694","0.002","82.606","0.002","70.197","0.002","1129.1","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0491","0.0442","","","0.1218","0.129","","","","","","1.06","","","","has coordinates","222723","2020-10-21","18:00:00",""
"4034182","9.2355","0.0018","10.511","0.0019","11.803","0.002","101.008","0.004","110.17","0.004","93.425","0.004","1045.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C52 H44 N4 O4 S2 -","2","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0456","0.0389","","","0.1184","0.1304","","","","","","0.844","","","","has coordinates","222724","2020-10-21","18:00:00",""
"4034183","12.69","0.009","11.602","0.008","16.618","0.011","90","","95.24","0.01","90","","2436","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F3 N O2 S -","- C27 H20 F3 N O2 S -","- C108 H80 F12 N4 O8 S4 -","4","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.1562","0.0811","","","0.2393","0.2925","","","","","","1.04","","","","has coordinates","222725","2020-10-21","18:00:00",""
"4034184","6.1363","0.0017","10.652","0.003","20.542","0.006","90","","90.161","0.003","90","","1342.7","0.7","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O -","- C19 H14 O -","- C76 H56 O4 -","4","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0463","0.0381","","","0.1003","0.109","","","","","","1.039","","","","has coordinates","222726","2020-10-21","18:00:00",""
"4034185","20.9298","0.0019","19.076","0.002","9.3341","0.001","90","","90","","90","","3726.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","CPC459F3a","","- C52 H37 N5 -","- C52 H37 N5 -","- C208 H148 N20 -","4","0.5","","Pérez-Caaveiro, Cristina; Oliva, María Moreno; López Navarrete, Juan T; Pérez Sestelo, José; Martínez, M Montserrat; Sarandeses, Luis A.","Synthesis of D-A-A and D-A-D Pyrimidine π-Systems Using Triorganoindium Reagents: Optical, Vibrational, and Electrochemical Studies.","The Journal of organic chemistry","2019","84","14","8870","8885","10.1021/acs.joc.9b00643","","x-ray","0.71073","MoKα","","0.1394","0.0819","","","0.152","0.1725","","","","","","1.138","","","","has coordinates","222727","2020-10-21","18:00:00",""
"4034186","8.96693","0.00009","16.838","0.0002","18.4036","0.0003","90","","90","","90","","2778.67","0.06","139.1","0.2","139.1","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O4 Si -","- C29 H36 N2 O4 Si -","- C116 H144 N8 O16 Si4 -","4","1","","Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo","Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.","The Journal of organic chemistry","2019","84","14","9138","9150","10.1021/acs.joc.9b01098","","x-ray","1.54184","CuKα","","0.0582","0.0552","","","0.1337","0.1371","","","","","","1.054","","","","has coordinates","222728","2020-10-21","18:00:00",""
"4034187","18.8993","0.0018","14.9288","0.0011","9.7511","0.0008","90","","97.083","0.009","90","","2730.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 F N2 O4 Si -","- C28 H33 F N2 O4 Si -","- C112 H132 F4 N8 O16 Si4 -","4","1","","Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo","Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.","The Journal of organic chemistry","2019","84","14","9138","9150","10.1021/acs.joc.9b01098","","","1.54184","CuKα","","0.1292","0.0682","","","0.1447","0.1867","","","","","","1.005","","","","has coordinates,has disorder","222729","2020-10-21","18:00:00",""
"4034188","27.237","0.003","10.8955","0.001","20.456","0.002","90","","121.681","0.002","90","","5165.9","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 I2 -","- C31 H22 I2 -","- C248 H176 I16 -","8","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.0482","0.0375","","","0.0941","0.1003","","","","","","1.038","","","","has coordinates,has disorder","222730","2020-10-21","18:00:00",""
"4034189","8.5401","0.0002","12.1446","0.0003","13.2015","0.0004","109.412","0.001","99.518","0.001","91.844","0.001","1267.99","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 I2 O S -","- C29 H22 I2 O S -","- C58 H44 I4 O2 S2 -","2","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.0428","0.0346","","","0.0817","0.0872","","","","","","1.074","","","","has coordinates,has disorder","222731","2020-10-21","18:00:00",""
"4034190","9.9984","0.0013","13.1822","0.0018","17.804","0.002","90","","105.23","0.003","90","","2264.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O -","- C31 H24 O -","- C124 H96 O4 -","4","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.1055","0.0594","","","0.1232","0.1428","","","","","","1.016","","","","has coordinates","222732","2020-10-21","18:00:00",""
"4034191","12.2386","0.0002","6.0866","0.0001","16.4889","0.0002","90","","92.612","0.001","90","","1227.01","0.03","99.97","0.1","99.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","x-ray","1.54184","CuKα","","0.0474","0.044","","","0.1137","0.1165","","","","","","1.048","","","","has coordinates","222733","2020-10-21","18:00:00",""
"4034192","12.2263","0.0002","6.0874","0.0001","16.4983","0.0002","90","","92.608","0.001","90","","1226.64","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","x-ray","1.54184","CuKα","","0.0428","0.0395","","","0.0965","0.0997","","","","","","1.0307","","","","has coordinates","222734","2020-10-21","18:00:00",""
"4034193","13.49","0.004","5.4363","0.0016","17.013","0.005","90","","100.674","0.012","90","","1226.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","","0.71073","MoKα","","0.1065","0.0509","","","0.102","0.12","","","","","","1.027","","","","has coordinates,has disorder","222735","2020-10-21","18:00:00",""
"4034194","16.601","0.003","12.379","0.003","5.5695","0.0011","90","","90","","90","","1144.6","0.4","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 S -","- C14 H10 N2 S -","- C56 H40 N8 S4 -","4","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0635","0.0402","","","0.0848","0.1031","","","","","","1.094","","","","has coordinates","222736","2020-10-21","18:00:00",""
"4034195","11.113","0.002","7.1958","0.0014","12.597","0.003","90","","93.19","0.03","90","","1005.8","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C44 H32 N16 S4 -","4","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0354","0.0316","","","0.0859","0.0884","","","","","","1.036","","","","has coordinates","222737","2020-10-21","18:00:00",""
"4034196","7.762","0.0016","10.205","0.002","10.415","0.002","111.03","0.03","106.7","0.03","96.14","0.03","716.9","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C32 H24 N4 S4 -","2","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0479","0.0331","","","0.0821","0.0879","","","","","","1.04","","","","has coordinates","222738","2020-10-21","18:00:00",""
"4034197","7.8041","0.0002","20.9989","0.0007","15.3544","0.0005","90","","90.969","0.001","90","","2515.88","0.13","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Br4 N8 O8 -","- C55 H40 Br4 N8 O8 -","- C110 H80 Br8 N16 O16 -","2","0.5","","Seiler, Grant S.; Hughes, Chambers C.","Progress toward the Total Synthesis of Lymphostins: Preparation of a Functionalized Tetrahydropyrrolo[4,3,2-<i>de</i>]quinoline and Unusual Oxidative Dimerization.","The Journal of organic chemistry","2019","84","14","9339","9343","10.1021/acs.joc.9b01041","","x-ray","0.71073","MoKα","","0.0418","0.0289","","","0.0621","0.0668","","","","","","1.026","","","","has coordinates,has disorder","222739","2020-10-21","18:00:00",""
"4034198","7.3227","0.0006","9.1869","0.0007","9.8318","0.0007","88.721","0.003","69.39","0.003","76.809","0.003","601.53","0.08","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 Br N3 O5 -","- C12 H6 Br N3 O5 -","- C24 H12 Br2 N6 O10 -","2","1","","Seiler, Grant S.; Hughes, Chambers C.","Progress toward the Total Synthesis of Lymphostins: Preparation of a Functionalized Tetrahydropyrrolo[4,3,2-<i>de</i>]quinoline and Unusual Oxidative Dimerization.","The Journal of organic chemistry","2019","84","14","9339","9343","10.1021/acs.joc.9b01041","","x-ray","0.71073","MoKα","","0.0288","0.0233","","","0.0531","0.0553","","","","","","1.058","","","","has coordinates,has disorder","222740","2020-10-21","18:00:00",""
"4034199","6.7116","0.0004","13.2895","0.0008","21.395","0.0012","90","","90","","90","","1908.3","0.19","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Rao, Peirong; Hu, Jialei; Xuan, Jun; Ding, Hanfeng","Total Synthesis of (-)-Pavidolide B: A Ring Contraction Strategy.","The Journal of organic chemistry","2019","84","14","9385","9392","10.1021/acs.joc.9b01308","","","0.71073","MoKα","","0.0698","0.0531","","","0.1479","0.1626","","","","","","1.057","","","","has coordinates","222741","2020-10-21","18:00:00",""
"4034200","12.2208","0.001","12.8625","0.0012","13.9416","0.0011","80.472","0.007","77.833","0.007","76.994","0.008","2071.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Trimethyl(6-benzyl-8-phenylbicyclo[4.2.1]nona-2,4,7-trien-7-yl)silane","","- C25 H28 Si -","- C25 H28 Si -","- C100 H112 Si4 -","4","2","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Nasretdinov, Ramil N.; Dzhemileva, Lilya U.; Dzhemilev, Usein M.","The Synthesis of Bicyclo[4.2.1]nona-2,4,7-trienes by [6π + 2π]-Cycloaddition of 1-Substituted 1,3,5-Cycloheptatrienes Catalyzed by Titanium and Cobalt Complexes.","The Journal of organic chemistry","2019","84","14","9058","9066","10.1021/acs.joc.9b00996","","x-ray","0.71073","MoKα","","0.1517","0.0726","","","0.1441","0.1787","","","","","","0.958","","","","has coordinates","222743","2020-10-21","18:00:00",""
"4034201","12.595","0.002","8.5075","0.0015","19.02","0.003","90","","94.282","0.007","90","","2032.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trifluoromethyl)-1H-pyrrol-3-yl)","'(Z)-1,1,1-trifluoro-3-(1-(1-(3-methoxyphenyl)-5-(trifluoromethyl) -1H-pyrrol-3-yl)-1,3-diazepan-2-ylidene)propan-2-one'","","- C20 H19 F6 N3 O2 -","- C20 H19 F6 N3 O2 -","- C80 H76 F24 N12 O8 -","4","1","","Mittersteiner, Mateus; Andrade, Valquiria P.; Zachow, Lucimara L.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Synthesis of <i>N</i>-Pyrrolyl(furanyl)-Substituted Piperazines, 1,4-Dizepanes, and 1,4-Diazocanes.","The Journal of organic chemistry","2019","84","14","8976","8983","10.1021/acs.joc.9b00867","","","1.54178","CuKα","","0.0919","0.0533","","","0.131","0.1505","","","","","","1.041","","","","has coordinates","222744","2020-10-21","18:00:00",""
"4034202","10.1554","0.0004","5.0593","0.0002","29.8899","0.0012","90","","94.423","0.002","90","","1531.15","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Propanona","'(Z)-1,1,1-trifluoro-3-(4-(5-trifluorometil)furan-3-il)-1,4-diazocan-2-ilideno)p","","- C14 H14 F6 N2 O2 -","- C14 H14 F6 N2 O2 -","- C56 H56 F24 N8 O8 -","4","1","","Mittersteiner, Mateus; Andrade, Valquiria P.; Zachow, Lucimara L.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Synthesis of <i>N</i>-Pyrrolyl(furanyl)-Substituted Piperazines, 1,4-Dizepanes, and 1,4-Diazocanes.","The Journal of organic chemistry","2019","84","14","8976","8983","10.1021/acs.joc.9b00867","","x-ray","1.54178","CuKα","","0.1279","0.0944","","","0.2571","0.2919","","","","","","1.041","","","","has coordinates,has disorder","222745","2020-10-21","18:00:00",""
"4034203","10.4348","0.0003","14.193","0.0002","24.3818","0.0005","75.235","0.002","89.058","0.002","88.786","0.002","3490.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H42 Cl2 F12 N4 O2 S2 -","- C80 H42 F10 N4 O2 S2 -","- C160 H84 F20 N8 O4 S4 -","2","1","","Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli","Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex.","The Journal of organic chemistry","2019","84","14","9067","9074","10.1021/acs.joc.9b01015","","","0.71073","MoKα","","0.1389","0.0985","","","0.2582","0.2956","","","","","","1.029","","","","has coordinates,has disorder","222746","2020-10-21","18:00:00",""
"4034204","22.3941","0.0015","13.4906","0.0004","22.8107","0.0015","90","","113.221","0.005","90","","6333.1","0.7","150","2","150","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C40 H0 F5 N2 O P S -","- C40 H18 F5 N2 O P S -","- C320 H144 F40 N16 O8 P8 S8 -","8","1","","Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli","Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex.","The Journal of organic chemistry","2019","84","14","9067","9074","10.1021/acs.joc.9b01015","","","1.54178","CuKα","","0.1396","0.0862","","","0.2272","0.2817","","","","","","1.022","","","","has coordinates,has disorder","222747","2020-10-21","18:00:00",""
"4034205","15.6454","0.0003","15.8125","0.0003","23.8504","0.0005","106.007","0.002","108.73","0.002","92.977","0.002","5306.9","0.2","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H98 Cl2.5 I4 N14.5 O26 -","- C92 H98 Cl2.5 I4 N14.5 O26 -","- C184 H196 Cl5 I8 N29 O52 -","2","1","","Huang, Wen-Long; Wang, Xu-Dong; Li, Sen; Zhang, Rui; Ao, Yu-Fei; Tang, Jun; Wang, Qi-Qiang; Wang, De-Xian","Anion Transporters Based on Noncovalent Balance including Anion-π, Hydrogen, and Halogen Bonding.","The Journal of organic chemistry","2019","84","14","8859","8869","10.1021/acs.joc.9b00561","","","0.71073","MoKα","","0.0869","0.0706","","","0.1879","0.2013","","","","","","1.062","","","","has coordinates,has disorder","222748","2020-10-21","18:00:00",""
"4034206","13.3373","0.0003","17.9188","0.0004","57.9576","0.0011","90","","93.081","0.002","90","","13831.2","0.5","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H150 Br8 Cl11 N17 O28 -","- C111 H150 Br8 Cl11 N17 O28 -","- C444 H600 Br32 Cl44 N68 O112 -","4","1","","Huang, Wen-Long; Wang, Xu-Dong; Li, Sen; Zhang, Rui; Ao, Yu-Fei; Tang, Jun; Wang, Qi-Qiang; Wang, De-Xian","Anion Transporters Based on Noncovalent Balance including Anion-π, Hydrogen, and Halogen Bonding.","The Journal of organic chemistry","2019","84","14","8859","8869","10.1021/acs.joc.9b00561","","","0.71073","MoKα","","0.1742","0.0835","","","0.1778","0.2234","","","","","","1.014","","","","has coordinates,has disorder","222749","2020-10-21","18:00:00",""
"4034207","9.0295","0.0018","10.82","0.002","12.555","0.003","67.84","0.03","79.96","0.03","73.35","0.03","1085.3","0.5","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 Br O -","- C27 H25 Br O -","- C54 H50 Br2 O2 -","2","1","","Zhao, Lei-Min; Lei, Tao; Liao, Rong-Zhen; Xiao, Hongyan; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu","Visible-Light-Triggered Selective Intermolecular [2+2] Cycloaddition of Extended Enones: 2-Oxo-3-enoates and 2,4-Dien-1-ones with Olefins.","The Journal of organic chemistry","2019","84","14","9257","9269","10.1021/acs.joc.9b01273","","","0.71073","MoKα","","0.0675","0.0481","","","0.1024","0.1122","","","","","","1.061","","","","has coordinates","222750","2020-10-21","18:00:00",""
"4034208","7.6749","0.0006","7.9266","0.0007","9.506","0.0009","95.731","0.002","91.93","0.001","112.487","0.004","530.04","0.08","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C24 H16 F4 N4 O2 -","2","1","","Lian, Guifang; Li, Jingyu; Liu, Ping; Sun, Peipei","Photoredox-Catalyzed Radical Cascade Reaction To Synthesize Fluorinated Pyrrolo[1,2-<i>d</i>]benzodiazepine Derivatives.","The Journal of organic chemistry","2019","84","14","9322","9329","10.1021/acs.joc.9b00937","","","0.71073","MoKα","","0.0761","0.0585","","","0.1798","0.1915","","","","","","1.109","","","","has coordinates","222751","2020-10-21","18:00:00",""
"4034209","20.221","0.004","20.797","0.004","15.506","0.003","90","","92.56","0.03","90","","6514","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azo-borazine-3","","","- C78 H66 B3 N9 -","- C78 H66 B3 N9 -","- C312 H264 B12 N36 -","4","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.1509","0.1017","","","0.2874","0.3449","","","","","","1.04","","","","has coordinates,has disorder","222752","2020-10-21","18:00:00",""
"4034210","13.37","0.003","19.684","0.004","18.969","0.004","90","","97.14","0.03","90","","4953.5","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tris-triflate borazine","","","- C45 H39 B3 F9 N3 O9 S3 -","- C45 H39 B3 F9 N3 O9 S3 -","- C180 H156 B12 F36 N12 O36 S12 -","4","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.0596","0.0545","","","0.1467","0.1516","","","","","","0.991","","","","has coordinates,has disorder","222753","2020-10-21","18:00:00",""
"4034211","10.84","0.002","17.26","0.003","18.41","0.004","114.82","0.01","95.05","0.006","91","0.006","3108.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tert-butyldimethylsilyl (TBDMS)-protected borazine","","","- C61.5 H87 B3 N3 O3.5 Si3 -","- C61.5 H87 B3 N3 O3.5 Si3 -","- C123 H174 B6 N6 O7 Si6 -","2","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.0529","0.0521","","","0.1421","0.1426","","","","","","1.027","","","","has coordinates,has disorder","222754","2020-10-21","18:00:00",""
"4034212","24.5782","0.0007","4.6272","0.0001","25.8074","0.0007","90","","93.14","0.002","90","","2930.62","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N O4 -","- C38 H32 N O4 -","- C152 H128 N4 O16 -","4","1","","Strom, Kyle R.; Szostak, Jack W.; Prywes, Noam","Transfer of Sequence Information and Replication of Diimine Duplexes.","The Journal of organic chemistry","2019","84","7","3754","3761","10.1021/acs.joc.9b00095","","","1.54178","CuKα","","0.0855","0.0576","","","0.1499","0.1647","","","","","","1.076","","","","has coordinates,has disorder","222755","2020-10-21","18:00:00",""
"4034213","8.0811","0.0005","8.9936","0.0005","16.6202","0.0011","94.273","0.005","97.317","0.005","110.25","0.005","1114.87","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 F3 N O4 S -","- C26 H16 F3 N O4 S -","- C52 H32 F6 N2 O8 S2 -","2","1","","Shaikh, Aslam C.; Banerjee, Somsuvra; Mule, Ravindra D.; Bera, Saibal; Patil, Nitin T.","External Oxidant-Dependent Reactivity Switch in Copper-Mediated Intramolecular Carboamination of Alkynes: Access to a Different Class of Fluorescent Ionic Nitrogen-Doped Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2019","84","7","4120","4130","10.1021/acs.joc.9b00120","","x-ray","0.71073","MoKα","","0.086422","0.062539","","","","0.220207","","","","","","1.30437","","","","has coordinates","222756","2020-10-21","18:00:00",""
"4034214","8.4075","0.0007","8.928","0.0008","16.9361","0.0014","75.688","0.007","85.72","0.007","69.64","0.008","1154.76","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H14 Cl F3 N O4 S -","- C26 H14 Cl F3 N O4 S -","- C52 H28 Cl2 F6 N2 O8 S2 -","2","1","","Shaikh, Aslam C.; Banerjee, Somsuvra; Mule, Ravindra D.; Bera, Saibal; Patil, Nitin T.","External Oxidant-Dependent Reactivity Switch in Copper-Mediated Intramolecular Carboamination of Alkynes: Access to a Different Class of Fluorescent Ionic Nitrogen-Doped Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2019","84","7","4120","4130","10.1021/acs.joc.9b00120","","x-ray","0.71073","MoKα","","0.0794","0.0594","","","0.1901","0.2187","","","","","","0.784","","","","has coordinates","222757","2020-10-21","18:00:00",""
"4034215","7.3885","0.001","11.9192","0.0016","17.597","0.002","96.437","0.002","90.969","0.002","98.162","0.002","1523.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C80 H52 Br4 N8 O4 -","4","2","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1219","0.0569","","","0.1246","0.1441","","","","","","0.987","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034216","7.732","0.002","21.217","0.006","8.849","0.002","90","","92.94","0.004","90","","1449.8","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0941","0.0477","","","0.1214","0.1394","","","","","","1.031","","","","has coordinates","222759","2020-10-21","18:00:00",""
"4034217","5.6465","0.0008","10.1339","0.0015","31.872","0.005","90","","90","","90","","1823.7","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C104 H68 N12 O4 -","4","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1317","0.0772","","","0.1929","0.2199","","","","","","0.929","","","","has coordinates,has disorder","222760","2020-10-21","18:00:00",""
"4034218","28.3133","0.0006","7.5509","0.0002","15.6708","0.0003","90","","109.509","0.001","90","","3157.93","0.12","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C160 H104 Br8 N16 O8 -","8","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0732","0.0389","","","0.0973","0.1134","","","","","","1.01","","","","has coordinates,has disorder","222761","2020-10-21","18:00:00",""
"4034219","15.5365","0.0007","15.5527","0.0007","25.5575","0.0011","76.77","0.001","76.127","0.001","89.681","0.001","5828.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C320 H224 N32 O16 -","16","8","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1111","0.0435","","","0.0984","0.1176","","","","","","0.846","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034220","29.7977","0.0005","7.5553","0.0001","16.4954","0.0003","90","","100.342","0.001","90","","3653.29","0.1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C208 H136 N24 O8 -","8","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0575","0.048","","","0.1393","0.15","","","","","","1.035","","","","has coordinates","222763","2020-10-21","18:00:00",""
"4034221","5.5694","0.0001","16.5355","0.0004","30.0961","0.0006","90","","90","","90","","2771.63","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 F3 N S -","- C16 H10 F3 N S -","- C128 H80 F24 N8 S8 -","8","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Wei, Xi; Cao, Bao-Qian; Wang, Xi-Cun; Quan, Zheng-Jun","AgSCF<sub>3</sub>/Na<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Promoted Trifluoromethylthiolation/Cyclization of o-Propargyl Arylazides/ o-Alkynyl Benzylazides: Synthesis of SCF<sub>3</sub>-Substituted Quinolines and Isoquinolines.","The Journal of organic chemistry","2019","84","7","4165","4178","10.1021/acs.joc.9b00181","","","0.71073","MoKα","","0.0427","0.0279","","","0.0606","0.0631","","","","","","0.954","","","","has coordinates","222764","2020-10-21","18:00:00",""
"4034222","9.9275","0.0004","30.6826","0.0008","10.2669","0.0005","90","","117.756","0.006","90","","2767.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N S -","- C16 H10 F3 N S -","- C128 H80 F24 N8 S8 -","8","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Wei, Xi; Cao, Bao-Qian; Wang, Xi-Cun; Quan, Zheng-Jun","AgSCF<sub>3</sub>/Na<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Promoted Trifluoromethylthiolation/Cyclization of o-Propargyl Arylazides/ o-Alkynyl Benzylazides: Synthesis of SCF<sub>3</sub>-Substituted Quinolines and Isoquinolines.","The Journal of organic chemistry","2019","84","7","4165","4178","10.1021/acs.joc.9b00181","","","0.71073","MoKα","","0.0657","0.0478","","","0.0979","0.1079","","","","","","1.083","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034223","8.4313","0.0003","16.317","0.0007","17.1584","0.0008","90","","101.057","0.002","90","","2316.72","0.17","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N2 O6 Rh S -","- C20 H29 N2 O6 Rh S -","- C80 H116 N8 O24 Rh4 S4 -","4","1","","Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.","The Journal of organic chemistry","2019","84","7","4058","4071","10.1021/acs.joc.9b00051","","","0.71073","MoKα","","0.078","0.0359","","","0.0706","0.0942","","","","","","1.1367","","","","has coordinates","222766","2020-10-21","18:00:00",""
"4034224","17.3441","0.0007","5.5569","0.0003","18.2798","0.0008","90","","107.527","0.0018","90","","1680.01","0.14","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.","The Journal of organic chemistry","2019","84","7","4058","4071","10.1021/acs.joc.9b00051","","","0.71073","MoKα","","0.0676","0.0398","","","0.0876","0.1022","","","","","","1.057","","","","has coordinates","222767","2020-10-21","18:00:00",""
"4034225","13.033","0.0007","15.1328","0.0008","7.9409","0.0003","90","","98.674","0.002","90","","1548.24","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N O3 -","- C16 H20 Br N O3 -","- C64 H80 Br4 N4 O12 -","4","1","","Sivasakthikumaran, Ramakrishnan; Jambu, Subramanian; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Distal Weak O-Coordinating C-H Alkylation of Arylacetamides with Alkenes: Combined Experimental and DFT Studies.","The Journal of organic chemistry","2019","84","7","3977","3989","10.1021/acs.joc.8b03257","","","0.71073","MoKα","","0.0676","0.0385","","","0.0981","0.1109","","","","","","0.982","","","","has coordinates","222768","2020-10-21","18:00:00",""
"4034226","8.5651","0.0003","9.8558","0.0003","14.1385","0.0005","90","","90","","90","","1193.51","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br4 -","- C9 H12 Br4 -","- C36 H48 Br16 -","4","1","","Gunther, Michael J.; Pavlović, Radoslav Z; Fernandez, Joseph P.; Zhiquan, Lei; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Stereo- and Regioselective Synthesis of Molecular Baskets.","The Journal of organic chemistry","2019","84","7","4392","4401","10.1021/acs.joc.9b00330","","x-ray","0.71073","MoKα","","0.0177","0.0172","","","0.0418","0.042","","","","","","1.178","","","","has coordinates","222769","2020-10-21","18:00:00",""
"4034227","10.0566","0.0005","12.3887","0.0006","16.2726","0.0007","73.9131","0.0016","78.5757","0.0016","69.5826","0.0016","1813.99","0.15","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H47 B N4 -","- C45 H47 B N4 -","- C90 H94 B2 N8 -","2","1","","Baek, Yonghyeon; Kwon, Youngjae; Maeng, Chanyoung; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Lee, Phil Ho","Pyrazinoindole-Based Lewis-Acid/Base Assembly: Intriguing Intramolecular Charge-Transfer Switching through the Dual-Sensing of Fluoride and Acid.","The Journal of organic chemistry","2019","84","7","3843","3852","10.1021/acs.joc.8b02942","","","0.71073","MoKα","","0.1441","0.0655","","","0.1136","0.1374","","","","","","1.033","","","","has coordinates","222770","2020-10-21","18:00:00",""
"4034228","12.667","0.0017","10.8935","0.0012","27.315","0.003","90","","98.727","0.005","90","","3725.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 B N4 -","- C45 H47 B N4 -","- C180 H188 B4 N16 -","4","1","","Baek, Yonghyeon; Kwon, Youngjae; Maeng, Chanyoung; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Lee, Phil Ho","Pyrazinoindole-Based Lewis-Acid/Base Assembly: Intriguing Intramolecular Charge-Transfer Switching through the Dual-Sensing of Fluoride and Acid.","The Journal of organic chemistry","2019","84","7","3843","3852","10.1021/acs.joc.8b02942","","","0.71073","MoKα","","0.1405","0.0641","","","0.1114","0.1359","","","","","","1.016","","","","has coordinates","222771","2020-10-21","18:00:00",""
"4034229","6.9454","0.0001","19.9965","0.0004","10.6578","0.0001","90","","90","","90","","1480.19","0.04","93","","93","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C34 H33.5 F3 N2 O3.25 S -","- C34 H33.5 F3 N2 O3.25 S -","- C68 H67 F6 N4 O6.5 S2 -","2","0.5","","Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi","Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.","The Journal of organic chemistry","2019","84","7","4372","4380","10.1021/acs.joc.9b00378","","x-ray","1.54184","CuKα","","0.0347","0.0338","","","0.0965","0.0976","","","","","","1.059","","","","has coordinates,has disorder","222772","2020-10-21","18:00:00",""
"4034230","8.5044","0.0002","9.2497","0.0003","21.4736","0.001","87.846","0.003","80.072","0.003","70.549","0.003","1568.56","0.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 F15 N2 O3 S -","- C34 H21 F15 N2 O3 S -","- C68 H42 F30 N4 O6 S2 -","2","1","","Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi","Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.","The Journal of organic chemistry","2019","84","7","4372","4380","10.1021/acs.joc.9b00378","","x-ray","1.54184","CuKα","","0.079","0.0616","","","0.1795","0.1914","","","","","","1.095","","","","has coordinates","222773","2020-10-21","18:00:00",""
"4034231","7.6807","0.0002","10.5907","0.0003","16.1738","0.0004","90","","101.009","0.003","90","","1291.43","0.06","278","10","278","10","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","1","","Zheng, Zai-Qin; Wei, Wen-Jun; Zhang, Junmin; Li, Hang-Ying; Xu, Kai; Xu, Jiayuan; Tang, Bencan; Li, Ya; Gao, Kun","Heliaquanoids A-E, Five Sesquiterpenoid Dimers from Inula helianthus-aquatica.","The Journal of organic chemistry","2019","84","7","4473","4477","10.1021/acs.joc.8b03284","","","1.54184","CuKα","","0.0495","0.0459","","","0.1185","0.1234","","","","","","1.043","","","","has coordinates","222774","2020-10-21","18:00:00",""
"4034232","7.6236","0.0014","11.458","0.002","14.056","0.003","108.113","0.002","90.803","0.002","96.502","0.002","1157.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 F O2 -","- C31 H21 F O2 -","- C62 H42 F2 O4 -","2","1","","Yan, Bingyu; Fu, Yang; Zhu, Hui; Chen, Zhiyuan","Synthesis of Divergent Benzo[ b]fluorenones through Cycloaromatization Reactions of 1,5-Enynols and 1,5-Diynols.","The Journal of organic chemistry","2019","84","7","4246","4262","10.1021/acs.joc.9b00231","","","0.71073","MoKα","","0.0847","0.0494","","","0.1395","0.168","","","","","","1.067","","","","has coordinates","222775","2020-10-21","18:00:00",""
"4034233","9.695","0.004","10.725","0.005","12.043","0.005","67.555","0.004","69.092","0.004","69.054","0.004","1045.1","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O -","- C30 H20 O -","- C60 H40 O2 -","2","1","","Yan, Bingyu; Fu, Yang; Zhu, Hui; Chen, Zhiyuan","Synthesis of Divergent Benzo[ b]fluorenones through Cycloaromatization Reactions of 1,5-Enynols and 1,5-Diynols.","The Journal of organic chemistry","2019","84","7","4246","4262","10.1021/acs.joc.9b00231","","","0.71073","MoKα","","0.0577","0.0465","","","0.1337","0.145","","","","","","1.057","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4034234","13.0743","0.0014","13.6975","0.0015","17.525","0.002","88.312","0.006","76.177","0.005","86.509","0.005","3041.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Cl F12 N9 P2 -","- C59 H60 Cl F12 N9 P2 -","- C118 H120 Cl2 F24 N18 P4 -","2","1","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.0602","0.0436","","","0.1139","0.1253","","","","","","1.022","","","","has coordinates","222777","2020-10-21","18:00:00",""
"4034235","14.3935","0.0008","14.3935","0.0008","17.2887","0.001","90","","90","","120","","3101.9","0.3","90","2","90","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3218","0.2754","","","0.7053","0.7483","","","","","","1.218","","","","has coordinates","222778","2020-10-21","18:00:00",""
"4034236","14.654","0.0013","14.654","0.0013","17.5993","0.0016","90","","90","","120","","3272.9","0.5","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3357","0.2496","","","0.6483","0.7363","","","","","","1.134","","","","has coordinates","222779","2020-10-21","18:00:00",""
"4034237","9.1411","0.0003","10.3952","0.0003","13.8711","0.0005","90","","100.611","0.001","90","","1295.54","0.07","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O S -","- C15 H10 F3 N O S -","- C60 H40 F12 N4 O4 S4 -","4","1","","Barthelemy, Anne-Laure; Anselmi, Elsa; Le, Thanh-Nghi; Vo-Thanh, Giang; Guillot, Régis; Miqueu, Karinne; Magnier, Emmanuel","Divergent Synthesis of 1,2-Benzo[ e]thiazine and Benzo[ d]thiazole Analogues Containing a S-Trifluoromethyl Sulfoximine Group: Preparation and New Properties of the Adachi Reagent.","The Journal of organic chemistry","2019","84","7","4086","4094","10.1021/acs.joc.9b00079","","x-ray","0.71073","MoKα","","0.0415","0.0326","","","0.0916","0.0992","","","","","","1.032","","","","has coordinates","222780","2020-10-21","18:00:00",""
"4034238","9.0768","0.0004","10.4534","0.0005","13.9478","0.0006","90","","100.41","0.002","90","","1301.63","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O S -","- C15 H10 F3 N O S -","- C60 H40 F12 N4 O4 S4 -","4","1","","Barthelemy, Anne-Laure; Anselmi, Elsa; Le, Thanh-Nghi; Vo-Thanh, Giang; Guillot, Régis; Miqueu, Karinne; Magnier, Emmanuel","Divergent Synthesis of 1,2-Benzo[ e]thiazine and Benzo[ d]thiazole Analogues Containing a S-Trifluoromethyl Sulfoximine Group: Preparation and New Properties of the Adachi Reagent.","The Journal of organic chemistry","2019","84","7","4086","4094","10.1021/acs.joc.9b00079","","x-ray","0.71073","MoKα","","0.0462","0.0366","","","0.093","0.0982","","","","","","1.038","","","","has coordinates","222781","2020-10-21","18:00:00",""
"4034239","20.2062","0.0003","13.294","0.0002","10.06784","0.0002","90","","90","","90","","2704.44","0.08","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H23 Cl N2 O6 S -","- C30 H23 Cl N2 O6 S -","- C120 H92 Cl4 N8 O24 S4 -","4","1","","Zhou, Xiao-Jian; Zhao, Jian-Qiang; Chen, Xin-Meng; Zhuo, Jun-Rui; Zhang, Yan-Ping; Chen, Yong-Zheng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalyzed Asymmetric Dearomative Aza-Michael/Michael Addition Cascade of 2-Nitrobenzofurans and 2-Nitrobenzothiophenes with 2-Aminochalcones.","The Journal of organic chemistry","2019","84","7","4381","4391","10.1021/acs.joc.9b00401","","x-ray","1.54184","CuKα","","0.0467","0.0407","","","0.1091","0.1152","","","","","","1.043","","","","has coordinates","222782","2020-10-21","18:00:00",""
"4034240","10.1216","0.0009","10.5451","0.001","14.942","0.0014","79.326","0.004","83.739","0.004","70.701","0.004","1477.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 N O2 S -","- C35 H33 N O2 S -","- C70 H66 N2 O4 S2 -","2","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.1308","0.0672","","","0.1756","0.2248","","","","","","1.008","","","","has coordinates","222783","2020-10-21","18:00:00",""
"4034241","11.7619","0.001","22.0327","0.0018","7.9732","0.0007","90","","104.881","0.003","90","","1996.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N O2 S -","- C21 H22 Cl N O2 S -","- C84 H88 Cl4 N4 O8 S4 -","4","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.0802","0.0535","","","0.1259","0.1399","","","","","","1.064","","","","has coordinates,has disorder","222784","2020-10-21","18:00:00",""
"4034242","14.2861","0.0006","13.9462","0.0004","13.3948","0.0005","90","","104.381","0.0015","90","","2585.12","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O2 S -","- C32 H27 N O2 S -","- C128 H108 N4 O8 S4 -","4","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.0788","0.0428","","","0.0905","0.1096","","","","","","1.01","","","","has coordinates","222785","2020-10-21","18:00:00",""
"4034243","6.6499","0.0014","7.472","0.002","43.076","0.01","93.23","0.04","91.35","0.03","116.106","0.017","1916.2","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","2","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0975","0.0963","","","0.2566","0.2574","","","","","","1.108","","","","has coordinates","222786","2020-10-21","18:00:00",""
"4034244","6.5581","0.0001","7.3707","0.0001","39.7747","0.0009","90","","91.298","0.002","90","","1922.13","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","1","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0595","0.0574","","","0.1334","0.1346","","","","","","1.08","","","","has coordinates","222787","2020-10-21","18:00:00",""
"4034245","10.7376","0.0009","12.1732","0.0012","15.8235","0.0017","71.982","0.009","88.589","0.008","64.831","0.009","1766.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 F N2 O2 S -","- C35 H27 F N2 O2 S -","- C70 H54 F2 N4 O4 S2 -","2","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","","0.71073","MoKα","","0.0828","0.06","","","0.1245","0.1375","","","","","","1.033","","","","has coordinates","222788","2020-10-21","18:00:00",""
"4034246","8.586","0.0002","12.0693","0.0004","15.3164","0.0005","100.733","0.003","101.129","0.002","108.783","0.003","1420.73","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 N3 O2 S -","- C36 H29 N3 O2 S -","- C72 H58 N6 O4 S2 -","2","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","","0.71073","MoKα","","0.0485","0.0398","","","0.0926","0.0973","","","","","","1.028","","","","has coordinates","222789","2020-10-21","18:00:00",""
"4034247","17.6547","0.0003","17.6547","0.0003","42.2964","0.0007","90","","90","","120","","11417.1","0.3","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H27 F3 N2 O2 S -","- C36 H27 F3 N2 O2 S -","- C432 H324 F36 N24 O24 S12 -","12","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","x-ray","0.71073","MoKα","","0.0407","0.0345","","","0.0834","0.0866","","","","","","1.03","","","","has coordinates","222790","2020-10-21","18:00:00",""
"4034248","8.10978","0.00005","9.41535","0.00005","24.11706","0.00015","90","","90","","90","","1841.49","0.019","123","2","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 B F4 I N3 -","- C17 H17 B F4 I N3 -","- C68 H68 B4 F16 I4 N12 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0237","0.0236","","","0.0611","0.0612","","","","","","1.051","","","","has coordinates,has disorder","222791","2020-10-21","18:00:00",""
"4034249","6.54","0.0001","19.8361","0.0004","15.2529","0.0003","90","","93.965","0.002","90","","1973.99","0.06","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H16 B F4 I N4 O2 -","- C17 H16 B F4 I N4 O2 -","- C68 H64 B4 F16 I4 N16 O8 -","4","2","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0496","0.0473","","","0.1265","0.1305","","","","","","1.052","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4034250","7.5236","0.0001","14.6973","0.0003","19.9237","0.0003","90","","90","","90","","2203.1","0.06","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 I N4 O5 S -","- C18 H16 F3 I N4 O5 S -","- C72 H64 F12 I4 N16 O20 S4 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0474","0.0448","","","0.1146","0.1172","","","","","","1.038","","","","has coordinates","222793","2020-10-21","18:00:00",""
"4034251","10.2947","0.0002","6.9593","0.0001","11.0589","0.0002","90","","115.163","0.002","90","","717.11","0.02","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N3 -","- C16 H14 Br N3 -","- C32 H28 Br2 N6 -","2","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0377","0.0368","","","0.0931","0.0935","","","","","","1.041","","","","has coordinates","222794","2020-10-21","18:00:00",""
"4034252","9.417","0.004","16.255","0.007","12.488","0.005","90","","105.578","0.007","90","","1841.4","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O4 -","- C25 H16 O4 -","- C100 H64 O16 -","4","1","","Qiao, Liang; Duan, Zhongwei; Chen, Yinghan; Luan, Yepeng; Gu, Qianqun; Liu, Yan-Kai; Li, Dehai","Aspergiolides A and B: Core Structural Establishment and Synthesis of Structural Analogues.","The Journal of organic chemistry","2019","84","7","4451","4457","10.1021/acs.joc.8b03185","","","0.71073","MoKα","","0.0877","0.0435","","","0.0951","0.1128","","","","","","1.069","","","","has coordinates","222795","2020-10-21","18:00:00",""
"4034253","11.242","0.003","40.833","0.008","11.278","0.002","90","","111.848","0.006","90","","4805.3","1.8","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110.82 H123.23 N8.41 O8 -","- C110.822 H123.233 N8.411 O8 -","- C221.644 H246.466 N16.822 O16 -","2","1","","Wellhöfer, Isabelle; Frydenvang, Karla; Kotesova, Simona; Christiansen, Andreas M.; Laursen, Jonas S.; Olsen, Christian A.","Functionalized Helical β-Peptoids.","The Journal of organic chemistry","2019","84","7","3762","3779","10.1021/acs.joc.9b00218","","","0.71073","MoKα","","0.0976","0.061","","","0.1294","0.146","","","","","","1.02","","","","has coordinates,has disorder","222796","2020-10-21","18:00:00",""
"4034254","9.4387","0.001","10.7305","0.0012","10.9753","0.0012","80.125","0.002","73.234","0.002","68.058","0.002","984.7","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 I N2 S2 -","- C20 H19 I N2 S2 -","- C40 H38 I2 N4 S4 -","2","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.0345","0.0283","","","0.0745","0.0779","","","","","","1.031","","","","has coordinates","222797","2020-10-21","18:00:00",""
"4034255","9.8694","0.0014","10.3956","0.0015","11.1604","0.0015","64.256","0.002","80.181","0.002","63.66","0.002","924","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Br I N2 O S -","- C19 H18 Br I N2 O S -","- C38 H36 Br2 I2 N4 O2 S2 -","2","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1198","0.0878","","","0.2577","0.2953","","","","","","1.02","","","","has coordinates","222798","2020-10-21","18:00:00",""
"4034256","11.0629","0.0016","16.601","0.003","19.901","0.003","90","","90","","90","","3654.9","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cl I N2 S -","- C19 H16 Cl I N2 S -","- C152 H128 Cl8 I8 N16 S8 -","8","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1366","0.0568","","","0.1018","0.1247","","","","","","1.02","","","","has coordinates","222799","2020-10-21","18:00:00",""
"4034257","7.7369","0.0007","18.281","0.002","10.785","0.0011","90","","106.322","0.011","90","","1463.9","0.3","175","","175","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Liu, Yujia; Bergès, Julien; Zaid, Yassir; Chahdi, Fouad Ouazzani; Van Der Lee, Arie; Harakat, Dominique; Clot, Eric; Jaroschik, Florian; Taillefer, Marc","Aerobic and Ligand-Free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in Situ Formation of Aryllithiums.","The Journal of organic chemistry","2019","84","7","4413","4420","10.1021/acs.joc.8b02834","","","0.71073","MoKα","","0.1969","0.1258","","0.1285","0.1028","0.1028","","","","","","1.117","","","","has coordinates","222800","2020-10-21","18:00:00",""
"4034258","8.0793","0.0001","8.1611","0.0001","20.7538","0.0003","90","","90","","90","","1368.42","0.03","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0312","0.0311","","","0.0946","0.0948","","","","","","1.102","","","","has coordinates","222801","2020-10-21","18:00:00",""
"4034259","7.4815","0.0002","12.4851","0.0002","24.3339","0.0005","90","","90","","90","","2272.96","0.08","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C108 H100 N4 O20 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0323","0.0306","","","0.0822","0.084","","","","","","1.059","","","","has coordinates,has disorder","222802","2020-10-21","18:00:00",""
"4034260","13.8863","0.0003","7.2827","0.0002","24.0141","0.0005","90","","101.573","0.0007","90","","2379.17","0.1","120","","120","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Slavík, Petr; Krupička, Martin; Eigner, Václav; Vrzal, Lukáš; Dvořáková, Hana; Lhoták, Pavel","Rearrangement of meta-Bridged Calix[4]arenes Promoted by Internal Strain.","The Journal of organic chemistry","2019","84","7","4229","4235","10.1021/acs.joc.9b00107","","","1.54178","CuKα","","0.0354","0.0329","","0.0887","0.0881","0.0887","","","","","","0.951","","","","has coordinates","222803","2020-10-21","18:00:00",""
"4034261","8.6488","0.0003","9.3013","0.0004","11.1317","0.0004","91.99","0.003","93.798","0.003","99.922","0.004","879.19","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C46 H34 N2 O6 -","2","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0621","0.0441","","","0.1109","0.1189","","","","","","1.047","","","","has coordinates","222804","2020-10-21","18:00:00",""
"4034262","9.3771","0.0001","18.5002","0.0002","10.2968","0.0001","90","","114.704","0.001","90","","1622.79","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0827","0.0831","","","","","","1.039","","","","has coordinates","222805","2020-10-21","18:00:00",""
"4034263","9.0927","0.0002","18.9606","0.0007","10.0748","0.0002","90","","93.784","0.002","90","","1733.14","0.08","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0611","0.0538","","","0.1317","0.1362","","","","","","1.112","","","","has coordinates","222806","2020-10-21","18:00:00",""
"4034264","9.5875","0.0001","9.8275","0.0001","16.1247","0.0001","90","","90.184","0.001","90","","1519.28","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0336","0.033","","","0.082","0.0825","","","","","","1.059","","","","has coordinates","222807","2020-10-21","18:00:00",""
"4034265","13.9068","0.0002","10.3152","0.0001","26.2389","0.0004","90","","98.581","0.001","90","","3721.87","0.09","113.6","0.3","113.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F N O3 -","- C24 H18 F N O3 -","- C192 H144 F8 N8 O24 -","8","2","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0646","0.0575","","","0.1554","0.1667","","","","","","1.085","","","","has coordinates","222808","2020-10-21","18:00:00",""
"4034266","15.026","0.0003","9.941","0.0002","12.0298","0.0003","90","","99.127","0.0008","90","","1774.18","0.07","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N5 O5 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","1","","Ansari, Arshad J.; Joshi, Gaurav; Sharma, Praveen; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Chandaluri, Chanchayya Gupta; Kumar, Raj; Singh, Sandeep; Sawant, Devesh M.","Pd-Catalyzed Four-Component Sequential Reaction Delivers a Modular Fluorophore Platform for Cell Imaging.","The Journal of organic chemistry","2019","84","7","3817","3825","10.1021/acs.joc.8b02845","","","0.71073","MoKα","","0.0592","0.0452","","","0.1303","0.1443","","","","","","1.075","","","","has coordinates","222809","2020-10-21","18:00:00",""
"4034267","8.05511","0.00005","11.64625","0.00008","18.10204","0.0001","90","","90","","90","","1698.19","0.018","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B N P -","- C17 H25 B N P -","- C68 H100 B4 N4 P4 -","4","1","","Lemouzy, Sébastien; Membrat, Romain; Olivieri, Enzo; Jean, Marion; Albalat, Muriel; Nuel, Didier; Giordano, Laurent; Hérault, Damien; Buono, Gérard","Umpolung Reactivity of in Situ Generated Phosphido-Boranes: An Entry to P-Stereogenic Aminophosphine-Boranes.","The Journal of organic chemistry","2019","84","7","4551","4557","10.1021/acs.joc.9b00333","","x-ray","1.54184","CuKα","","0.0352","0.0349","","","0.0916","0.0919","","","","","","1.102","","","","has coordinates","222810","2020-10-21","18:00:00",""
"4034268","6.0404","0.001","18.307","0.003","20.483","0.003","90","","96.951","0.004","90","","2248.4","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C104 H96 Cl4 N4 O12 S4 -","4","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0988","0.0523","","","0.1226","0.1453","","","","","","0.994","","","","has coordinates","222811","2020-10-21","18:00:00",""
"4034269","8.2873","0.0003","11.2154","0.0006","13.2137","0.0006","104.22","0.002","107.154","0.002","107.165","0.002","1044.15","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl N O3 S -","- C23 H24 Cl N O3 S -","- C46 H48 Cl2 N2 O6 S2 -","2","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0876","0.0572","","","0.1165","0.1364","","","","","","1.032","","","","has coordinates","222812","2020-10-21","18:00:00",""
"4034270","9.816","0.004","17.033","0.007","14.307","0.006","90","","98.619","0.009","90","","2365.1","1.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O3 S -","- C27 H26 Cl N O3 S -","- C108 H104 Cl4 N4 O12 S4 -","4","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.074","0.0488","","","0.1308","0.1469","","","","","","1.018","","","","has coordinates","222813","2020-10-21","18:00:00",""
"4034271","8.2865","0.0019","10.144","0.003","15.586","0.004","77.546","0.006","84.113","0.006","77.165","0.006","1245.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C52 H48 Cl2 N2 O6 S2 -","2","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0953","0.0556","","","0.134","0.1567","","","","","","0.982","","","","has coordinates","222814","2020-10-21","18:00:00",""
"4034272","31.17","0.006","4.9304","0.0009","23.09","0.004","90","","122.388","0.006","90","","2996.5","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C112 H152 N24 O32 -","8","1","","Peixoto, Daniela; Malta, Gabriela; Cruz, Hugo; Barroso, Sónia; Carvalho, Ana Luísa; Ferreira, Luísa M; Branco, Paula S.","N-Heterocyclic Olefin Catalysis for the Ring Opening of Cyclic Amidine Compounds: A Pathway to the Synthesis of ε-Caprolactam- and γ-Lactam-Derived Amines.","The Journal of organic chemistry","2019","84","7","3793","3800","10.1021/acs.joc.8b02823","","x-ray","0.71073","MoKα","","0.1674","0.0624","","","0.1181","0.1401","","","","","","0.962","","","","has coordinates","222815","2020-10-21","18:00:00",""
"4034273","9.3502","0.0006","9.7552","0.0005","18.8817","0.0013","91.916","0.005","92.417","0.005","104.915","0.005","1661","0.18","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl F O2 S -","- C20 H14 Cl F O2 S -","- C80 H56 Cl4 F4 O8 S4 -","4","2","","Alkan-Zambada, Murat; Hu, Xile","Cu-Catalyzed Photoredox Chlorosulfonation of Alkenes and Alkynes.","The Journal of organic chemistry","2019","84","7","4525","4533","10.1021/acs.joc.9b00238","","x-ray","1.54184","CuKα","","0.065","0.045","","","0.118","0.1296","","","","","","1.022","","","","has coordinates","222816","2020-10-21","18:00:00",""
"4034274","19.6438","0.0014","20.3232","0.0015","26.513","0.002","90","","103.435","0.002","90","","10295","1.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C302 H476 F96 N128 O103 P16 -","- C302 H476 F96 N128 O103 P16 -","- C302 H476 F96 N128 O103 P16 -","1","0.25","","Chandrakumar, Pradeep Kumar; Dhiman, Rajni; Woodward, Clifford E.; Iranmanesh, Hasti; Beves, Jonathon E.; Day, Anthony I.","Tiara[ n]uril: A Glycoluril-Based Macrocyclic Host with Cationic Walls.","The Journal of organic chemistry","2019","84","7","3826","3831","10.1021/acs.joc.8b02913","","","0.71073","MoKα","","0.1246","0.0784","","","0.1911","0.2239","","","","","","1.031","","","","has coordinates","222817","2020-10-21","18:00:00",""
"4034275","10.7001","0.0002","7.5125","0.0001","12.3736","0.0002","90","","93.544","0.001","90","","992.74","0.03","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C40 H40 N4 O14 S2 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.04","0.0368","","","0.0876","0.089","","","","","","1.09","","","","has coordinates","222818","2020-10-21","18:00:00",""
"4034276","5.6069","0.0002","8.4799","0.0003","32.8891","0.0012","90","","90","","90","","1563.74","0.1","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N O3 -","- C15 H19 Cl N O3 -","- C60 H76 Cl4 N4 O12 -","4","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.068","0.0534","","","0.1227","0.1297","","","","","","1.057","","","","has coordinates","222819","2020-10-21","18:00:00",""
"4034277","5.8397","0.0004","11.6308","0.0007","14.2713","0.0008","90","","94.727","0.004","90","","966.02","0.1","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N4 O5 -","- C18 H26 N4 O5 -","- C36 H52 N8 O10 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.0974","0.0678","","","0.1549","0.1699","","","","","","1.033","","","","has coordinates","222820","2020-10-21","18:00:00",""
"4034278","11.7922","0.0002","14.2337","0.0003","21.0488","0.0004","90","","102.785","0.001","90","","3445.38","0.11","270","2","270","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","4","","Meng, Fan-Jie; Shi, Lei; Feng, Guang-Shou; Sun, Lei; Zhou, Yong-Gui","Enantioselective Synthesis of 3,4-Dihydropyrimidin-2(1 H)-ones through Organocatalytic Transfer Hydrogenation of 2-Hydroxypyrimidines.","The Journal of organic chemistry","2019","84","7","4435","4442","10.1021/acs.joc.8b03128","","","1.54178","CuKα","","0.0631","0.0449","","","0.0992","0.1114","","","","","","1.041","","","","has coordinates","222821","2020-10-21","18:00:00",""
"4034279","15.8855","0.0016","10.6751","0.0013","16.2034","0.0017","90","","102.86","0.01","90","","2678.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","","0.71073","MoKα","","0.0452","0.0395","","","0.1112","0.1161","","","","","","1.037","","","","has coordinates","222822","2020-10-21","18:00:00",""
"4034280","12.5854","0.001","8.978","0.0007","12.7456","0.001","90","","97.805","0.002","90","","1426.81","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","","0.71073","MoKα","","0.0962","0.0601","","","0.1341","0.1514","","","","","","1.032","","","","has coordinates","222823","2020-10-21","18:00:00",""
"4034281","7.9727","0.0004","14.6193","0.0007","24.5046","0.0011","90","","97.712","0.001","90","","2830.3","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","x-ray","0.71073","MoKα","","0.0766","0.048","","","0.091","0.1008","","","","","","1.032","","","","has coordinates","222824","2020-10-21","18:00:00",""
"4034282","10.5687","0.0017","13.919","0.002","18.485","0.003","105.636","0.002","104.25","0.002","96.415","0.002","2491.4","0.7","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N O7 -","- C29 H31 N O7 -","- C116 H124 N4 O28 -","4","2","","Vivekanand, Thavaraj; Vachan, B. S.; Karuppasamy, Muthu; Muthukrishnan, Isravel; Maheswari, C. Uma; Nagarajan, Subbiah; Bhuvanesh, Nattamai; Sridharan, Vellaisamy","Diastereoselective ABB' Three-Component Synthesis of Highly Functionalized Spirooxindoles Bearing Five Consecutive Asymmetric Carbons.","The Journal of organic chemistry","2019","84","7","4009","4016","10.1021/acs.joc.8b03270","","","0.71073","MoKα","","0.0579","0.0422","","","0.1029","0.1114","","","","","","1.054","","","","has coordinates,has disorder","222825","2020-10-21","18:00:00",""
"4034283","23.4225","0.0008","14.2185","0.0005","28.8398","0.001","90","","113.424","0.0017","90","","8813.1","0.5","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N2 O6 S3 -","- C44.67 H38 N2 O4.5 S3 -","- C357.36 H304 N16 O36 S24 -","8","2","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Aguilar, Juan A.; Hall, David; Batsanov, Andrei S.; Ren, Zhongjie; Dias, Fernando B.; Bryce, Martin R.","Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor-Acceptor Systems.","The Journal of organic chemistry","2019","84","7","3801","3816","10.1021/acs.joc.8b02848","","x-ray","1.54184","CuKα","","0.0924","0.0585","","","0.1429","0.1579","","","","","","1.023","","","","has coordinates,has disorder","222826","2020-10-21","18:00:00",""
"4034284","23.3637","0.0006","14.6487","0.0005","28.5013","0.0009","90","","112.449","0.0015","90","","9015.3","0.5","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Synthesis of 2,8-Bis(1,9-dimethyl-3-methoxyphenothiazin-10-yl)dibenzothiophene-S,S-dioxide","","- C51.6 H42 Cl1.6 N2 O4 S3 -","- C51.6 H41.9 Cl1.6 N2 O4 S3 -","- C412.8 H335.2 Cl12.8 N16 O32 S24 -","8","2","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Aguilar, Juan A.; Hall, David; Batsanov, Andrei S.; Ren, Zhongjie; Dias, Fernando B.; Bryce, Martin R.","Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor-Acceptor Systems.","The Journal of organic chemistry","2019","84","7","3801","3816","10.1021/acs.joc.8b02848","","x-ray","1.54184","CuKα","","0.1342","0.0725","","","0.1728","0.2042","","","","","","1.01","","","","has coordinates,has disorder","222827","2020-10-21","18:00:00",""
"4034285","19.4948","0.001","19.4948","0.001","35.68","0.004","90","","90","","90","","13560.1","1.8","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C54 H74 Cl6 F N5 O4 -","- C54 H74 Cl6 F N5 O4 -","- C432 H592 Cl48 F8 N40 O32 -","8","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","1.54184","CuKα","","0.0745","0.0686","","","0.1958","0.2066","","","","","","1.051","","","","has coordinates,has disorder","222828","2020-10-21","18:00:00",""
"4034286","13.56","0.003","17.972","0.004","23.795","0.005","90","","104.412","0.004","90","","5616","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Cl N5 O4 -","- C52 H72 Cl N5 O4 -","- C208 H288 Cl4 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.0569","0.0407","","","0.1029","0.1118","","","","","","1.025","","","","has coordinates,has disorder","222829","2020-10-21","18:00:00",""
"4034287","9.4746","0.0004","13.2356","0.0006","14.2481","0.0007","79.948","0.003","85.978","0.003","84.632","0.003","1748.96","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N4 O5 S -","- C38 H42 N4 O5 S -","- C76 H84 N8 O10 S2 -","2","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.073","0.0444","","","0.099","0.1121","","","","","","1.018","","","","has coordinates","222830","2020-10-21","18:00:00",""
"4034288","25.208","0.002","16.8924","0.0013","26.912","0.002","90","","90","","90","","11459.8","1.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114 H162 Cl6 N10 O13 -","- C114 H162 Cl6 N10 O13 -","- C456 H648 Cl24 N40 O52 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.0921","0.0783","","","0.2126","0.2297","","","","","","1.061","","","","has coordinates,has disorder","222831","2020-10-21","18:00:00",""
"4034289","9.75667","0.0001","13.67134","0.00011","14.32506","0.00012","90","","90","","90","","1910.77","0.03","299.18","0.1","299.18","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","","Angyal, Anikó; Demjén, András; Harmat, Veronika; Wölfling, János; Puskás, László G; Kanizsai, Iván","1,3-Dipolar Cycloaddition of Isatin-Derived Azomethine Ylides with 2 H-Azirines: Stereoselective Synthesis of 1,3-Diazaspiro[bicyclo[3.1.0]hexane]oxindoles.","The Journal of organic chemistry","2019","84","7","4273","4281","10.1021/acs.joc.9b00242","","","1.54184","CuKα","","0.0317","0.0311","","","0.082","0.0833","","","","","","1.062","","","","has coordinates","222832","2020-10-21","18:00:00",""
"4034290","10.65608","0.00008","16.5098","0.00014","10.94821","0.00009","90","","99.8206","0.0008","90","","1897.89","0.03","298.01","0.19","298.01","0.19","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O3.5 -","- C20 H25 N3 O3.5 -","- C80 H100 N12 O14 -","4","1","","Angyal, Anikó; Demjén, András; Harmat, Veronika; Wölfling, János; Puskás, László G; Kanizsai, Iván","1,3-Dipolar Cycloaddition of Isatin-Derived Azomethine Ylides with 2 H-Azirines: Stereoselective Synthesis of 1,3-Diazaspiro[bicyclo[3.1.0]hexane]oxindoles.","The Journal of organic chemistry","2019","84","7","4273","4281","10.1021/acs.joc.9b00242","","","1.54184","CuKα","","0.0462","0.044","","","0.1185","0.1205","","","","","","1.039","","","","has coordinates,has disorder","222833","2020-10-21","18:00:00",""
"4034291","21.8602","0.0002","17.8588","0.0002","39.6592","0.0004","90","","99.619","0.001","90","","15265.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84 H69 Au4 B F4 N O0.5 P4 -","- C84 H69 Au4 B F4 N O0.5 P4 -","- C672 H552 Au32 B8 F32 N8 O4 P32 -","8","1","","Sun, Tingting; Guo, Ping; Xie, Qiong; Zhao, Liang; Zhu, Jun","Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity in Hyperconjugative Aromaticity.","The Journal of organic chemistry","2019","84","7","3881","3886","10.1021/acs.joc.8b02996","","","1.54184","CuKα","","0.0546","0.0524","","","0.1395","0.1413","","","","","","1.124","","","","has coordinates","222834","2020-10-21","18:00:00",""
"4034292","10.9442","0.0001","12.5152","0.0001","18.8958","0.0002","90","","90","","90","","2588.14","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 B N O4 -","- C27 H38 B N O4 -","- C108 H152 B4 N4 O16 -","4","1","","Han, Suna; Shen, Xin; Kong, Duanyang; Zi, Guofu; Hou, Guohua; Zhang, Jiaxin","Cu-Catalyzed Asymmetric Hydroboration of Naphthylallylic Compounds for Enantioselective Synthesis of Chiral Boronates.","The Journal of organic chemistry","2019","84","7","4318","4329","10.1021/acs.joc.9b00289","","x-ray","1.54184","CuKα","","0.0333","0.0302","","","0.0732","0.0741","","","","","","1.134","","","","has coordinates","222835","2020-10-21","18:00:00",""
"4034293","8.3323","0.0018","10.241","0.002","13.709","0.003","106.973","0.005","99.53","0.005","100.043","0.005","1072.2","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl2 N2 O2 -","- C25 H18 Cl2 N2 O2 -","- C50 H36 Cl4 N4 O4 -","2","1","","Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong","Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.","The Journal of organic chemistry","2019","84","7","4467","4472","10.1021/acs.joc.8b03210","","","0.71073","MoKα","","0.1154","0.0674","","","0.1675","0.2112","","","","","","1.036","","","","has coordinates","222836","2020-10-21","18:00:00",""
"4034294","5.725","0.004","16.2","0.012","20.626","0.015","90","","90","","90","","1913","2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong","Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.","The Journal of organic chemistry","2019","84","7","4467","4472","10.1021/acs.joc.8b03210","","","0.71073","MoKα","","0.1717","0.0872","","","0.2134","0.2746","","","","","","1.013","","","","has coordinates","222837","2020-10-21","18:00:00",""
"4034295","6.084","0.0003","7.6921","0.0004","19.8288","0.001","88.317","0.002","81.705","0.002","85.227","0.002","914.93","0.08","298","2","297.96","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C44 H32 Cl2 N2 O2 S2 -","2","1","","Gao, Wen-Chao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Wei, Wen-Long; Yang, Peng","Synthesis of 4-Sulfenyl Isoxazoles through AlCl<sub>3</sub>-Mediated Electrophilic Cyclization and Sulfenylation of 2-Alkyn-1-one O-Methyloximes.","The Journal of organic chemistry","2019","84","7","4312","4317","10.1021/acs.joc.9b00256","","","0.71073","MoKα","","0.0421","0.0365","","","0.0935","0.099","","","","","","1.06","","","","has coordinates","222838","2020-10-21","18:00:00",""
"4034296","7.9089","0.0016","8.3573","0.0017","11.052","0.002","110.57","0.03","103.01","0.03","93.22","0.03","659","0.3","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 Br2 N2 -","- C16 H10 Br2 N2 -","- C32 H20 Br4 N4 -","2","1","","Han, Yi; Hu, Zhenzhu; Liu, Meifang; Li, Mengwei; Wang, Tingting; Chen, Yulan","Synthesis, Characterization, and Properties of Diazapyrenes via Bischler-Napieralski Reaction.","The Journal of organic chemistry","2019","84","7","3953","3959","10.1021/acs.joc.8b03096","","","0.71073","MoKα","","0.0443","0.0343","","","0.0777","0.0795","","","","","","0.934","","","","has coordinates","222839","2020-10-21","18:00:00",""
"4034297","19.6655","0.0019","38.468","0.004","12.8796","0.001","90","","90","","90","","9743.3","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","zyh_wzd3651","","","- C24 H35 N O4 -","- C24 H35 N O4 -","- C384 H560 N16 O64 -","16","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54178","CuKα","","0.0742","0.0619","","","0.1828","0.1987","","","","","","0.967","","","","has coordinates","222840","2020-10-21","18:00:00",""
"4034298","13.0916","0.0001","27.1113","0.0002","13.5323","0.0001","90","","108.107","0.001","90","","4565.17","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.25 H36 N O4.25 -","- C24.25 H36 N O4.25 -","- C194 H288 N8 O34 -","8","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54184","CuKα","","0.0559","0.0532","","","0.1408","0.1431","","","","","","1.032","","","","has coordinates,has disorder","222841","2020-10-21","18:00:00",""
"4034299","9.9408","0.0011","17.8727","0.0018","19.77","0.002","79.176","0.004","80.799","0.004","74.552","0.004","3302.9","0.6","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H44 Cl4 Se4 -","- C66 H44 Cl4 Se4 -","- C132 H88 Cl8 Se8 -","2","1","","Zhao, Hongyan; Ma, Ying-Chao; Cao, Lei; Huang, Shiqing; Zhang, Jian-Ping; Yan, Xiaoyu","Synthesis and Photophysical Properties of Chalcophenes-Embedded Cycloparaphenylenes.","The Journal of organic chemistry","2019","84","9","5230","5235","10.1021/acs.joc.9b00207","","","0.71073","MoKα","","0.1592","0.0863","","","0.2037","0.2348","","","","","","0.975","","","","has coordinates,has disorder","222842","2020-10-21","18:00:00",""
"4034300","7.8926","0.0011","11.6276","0.0016","13.1465","0.0018","80.62","0.002","84.361","0.002","76.77","0.002","1156.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 B F2 N2 O2 -","- C25 H27 B F2 N2 O2 -","- C50 H54 B2 F4 N4 O4 -","2","1","","Wang, Jun; Li, Yongxin; Gong, Qingbao; Wang, Hua; Hao, Erhong; Lo, Pui-Chi; Jiao, Lijuan","β-AlkenylBODIPY Dyes: Regioselective Synthesis via Oxidative C-H Olefination, Photophysical Properties, and Bioimaging Studies.","The Journal of organic chemistry","2019","84","9","5078","5090","10.1021/acs.joc.9b00020","","","0.71073","MoKα","","0.0505","0.0442","","","0.1487","0.1539","","","","","","1.829","","","","has coordinates","222844","2020-10-21","18:00:00",""
"4034301","7.3364","0.0007","10.965","0.002","11.768","0.001","98.74","0.01","102.07","0.01","105.12","0.01","872","0.2","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H14 Br N -","- C25 H14 Br N -","- C50 H28 Br2 N2 -","2","1","","Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne","Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity.","The Journal of organic chemistry","2019","84","9","5383","5393","10.1021/acs.joc.9b00389","","","0.71073","MoKα","","0.0563","0.0462","","","0.1257","0.1311","","","","","","1.211","","","","has coordinates","222845","2020-10-21","18:00:00",""
"4034302","26.407","0.001","16.6742","0.0008","7.0484","0.0004","90","","90","","90","","3103.5","0.3","140","2","140","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C25 H14 N -","- C25 H14 N -","- C200 H112 N8 -","8","1","","Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne","Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity.","The Journal of organic chemistry","2019","84","9","5383","5393","10.1021/acs.joc.9b00389","","","0.71073","MoKα","","0.1279","0.056","","","0.1074","0.1375","","","","","","0.987","","","","has coordinates","222846","2020-10-21","18:00:00",""
"4034303","8.584","0.0006","8.6172","0.0006","14.5365","0.0011","95.778","0.002","94.944","0.002","110.914","0.002","990.66","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Capretz Agy, André; Rodrigues, Jr, Manoel T; Zeoly, Lucas A.; Simoni, Deborah A.; Coelho, Fernando","Palladium-Mediated Oxidative Annulation of δ-Indolyl-α,β-Unsaturated Compounds toward the Synthesis of Cyclopenta[ b]indoles and Heterogeneous Hydrogenation To Access Fused Indolines.","The Journal of organic chemistry","2019","84","9","5564","5581","10.1021/acs.joc.9b00505","","","0.71073","MoKα","","0.0521","0.0405","","","0.102","0.1098","","","","","","1.024","","","","has coordinates","222847","2020-10-21","18:00:00",""
"4034304","7.6849","0.0006","26.3848","0.0012","37.699","0.002","90","","90","","90","","7644","0.8","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O S2 Si2 -","- C42 H50 O S2 Si2 -","- C336 H400 O8 S16 Si16 -","8","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1606","0.0909","","","0.1926","0.2299","","","","","","1.04","","","","has coordinates,has disorder","222848","2020-10-21","18:00:00",""
"4034305","8.5273","0.0003","17.779","0.0007","20.8815","0.0008","99.94","0.003","93.813","0.003","95.177","0.003","3094.6","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H90 S2 Si4 -","- C64 H90 S2 Si4 -","- C128 H180 S4 Si8 -","2","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1516","0.0746","","","0.1424","0.1738","","","","","","1.016","","","","has coordinates,has disorder","222849","2020-10-21","18:00:00",""
"4034306","10.6042","0.0003","12.9313","0.0004","16.115","0.0006","111.178","0.0019","90.073","0.003","95.912","0.002","2047.82","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C92 H92 O28 -","- C92 H92 O28 -","- C92 H92 O28 -","1","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1268","0.0823","","","0.237","0.3006","","","","","","1.053","","","","has coordinates,has disorder","222850","2020-10-21","18:00:00",""
"4034307","9.8426","0.0004","20.6842","0.0007","24.5207","0.0009","113.198","0.002","97.551","0.002","90.007","0.002","4541.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H95 N3 O34 -","- C98 H95 N3 O34 -","- C196 H190 N6 O68 -","2","1","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1152","0.0847","","","0.2389","0.269","","","","","","1.039","","","","has coordinates,has disorder","222851","2020-10-21","18:00:00",""
"4034308","10.7288","0.0019","13.24","0.002","16.153","0.003","69.581","0.002","85.99","0.002","83.114","0.002","2133.9","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H82 Cl18 O12 -","- C82 H82 Cl18 O12 -","- C82 H82 Cl18 O12 -","1","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","0.71073","MoKα","","0.1037","0.0943","","","0.2877","0.296","","","","","","1.059","","","","has coordinates","222852","2020-10-21","18:00:00",""
"4034309","20.2602","0.0009","18.4745","0.001","9.7083","0.0005","90","","103.791","0.004","90","","3529","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H76 O16 -","- C74 H76 O16 -","- C148 H152 O32 -","2","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1173","0.0708","","","0.1835","0.2139","","","","","","1.021","","","","has coordinates,has disorder","222853","2020-10-21","18:00:00",""
"4034310","7.35354","0.00015","5.87211","0.00011","11.1184","0.0002","90","","95.496","0.007","90","","477.894","0.017","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","","Takashima, Katsuki; Hayakawa, Daichi; Gouda, Hiroaki; Toyooka, Naoki","Formal Syntheses of (-)-Lepadiformines A, C, and (-)-Fasicularin.","The Journal of organic chemistry","2019","84","9","5222","5229","10.1021/acs.joc.9b00071","","","1.54187","CuKα","","0.0386","0.0346","","","0.0815","0.0837","","","","","","1.087","","","","has coordinates","222854","2020-10-21","18:00:00",""
"4034311","6.8288","0.0005","10.6374","0.0008","29.546","0.0015","90","","90","","90","","2146.2","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Reddy, Reddy Rajasekhar; Panda, Shibaram; Ghorai, Prasanta","Enantioselective Synthesis of Cyclohexadienone Containing Spiroketals via DyKat Ketalization/oxa-Michael Addition Cascade.","The Journal of organic chemistry","2019","84","9","5357","5368","10.1021/acs.joc.9b00371","","","0.71073","MoKα","","0.1057","0.055","","","0.1061","0.1218","","","","","","1.028","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034312","23.661","0.0005","23.7462","0.0005","25.8874","0.0006","90","","109.922","0.002","90","","13674.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C576 H640 N64 O64 -","32","8","","Mi, Xia; Feng, Weisheng; Pi, Chao; Cui, Xiuling","Iridium(III)-Catalyzed C-H Amidation of Nitrones with Dioxazolones.","The Journal of organic chemistry","2019","84","9","5305","5312","10.1021/acs.joc.9b00300","","x-ray","1.54184","CuKα","","0.0844","0.0533","","","0.1411","0.1719","","","","","","1.026","","","","has coordinates","222856","2020-10-21","18:00:00",""
"4034313","7.059","0.003","15.876","0.006","9.721","0.004","90","","92.72","0.03","90","","1088.2","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C50 H56 N12 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","1.5418","CuKα","","0.073","0.0614","","","0.1561","0.1623","","","","","","1","","","","has coordinates","222857","2020-10-21","18:00:00",""
"4034314","14.606","0.004","5.425","0.002","15.6","0.004","90","","91.35","0.03","90","","1235.8","0.7","100","2","100","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C51 H58 Cl2 N12 -","- C51 H58 Cl2 N12 -","- C51 H58 Cl2 N12 -","1","0.5","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","1.5418","CuKα","","0.1145","0.0746","","","0.1741","0.1934","","","","","","1.002","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034315","22.199","0.006","22.199","0.006","18.664","0.006","90","","90","","120","","7965","4","200","2","200","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C75 H90 Cd6 Cl12 N18 O9 -","- C75 H84 Cd6 Cl12 N18 O9 -","- C225 H252 Cd18 Cl36 N54 O27 -","3","0.166667","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1119","0.0696","","","0.1898","0.2132","","","","","","1.055","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034316","9.394","0.003","15.759","0.004","11.845","0.004","90","","92.11","0.03","90","","1752.3","0.9","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29.6 H50.7 Cl4 N7.7 O1.6 -","- C29.606 H49.704 Cl4 N7.744 O1.512 -","- C59.212 H99.408 Cl8 N15.488 O3.024 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.039","0.0343","","","0.0806","0.0835","","","","","","1.015","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034317","12.549","0.003","13.394","0.003","20.848","0.005","77.96","0.02","82.87","0.02","64.67","0.03","3095.2","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H90 Cl8 N12 O5 -","- C50 H84 Cl8.001 N12 O5 -","- C100 H168 Cl16.002 N24 O10 -","2","2","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.081","0.0668","","","0.1714","0.1904","","","","","","1.025","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034318","14.186","0.005","15.161","0.005","15.444","0.006","97.64","0.04","117.19","0.05","91.85","0.03","2912","2","80","2","80","2","","","","","","","","5","P 1","P 1","1","","","","- C82.5 H153 Cl12 N20 O10 -","- C82.5 H140 Cl12 N20 O9.9999 -","- C82.5 H140 Cl12 N20 O9.9999 -","1","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1074","0.0881","","","0.2522","0.2747","","","","","","1.113","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034319","13.2188","0.0004","8.8154","0.0003","16.5835","0.0006","90","","106.553","0.004","90","","1852.37","0.11","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 N2 O6 Si2 -","- C36 H58 N2 O6 Si2 -","- C72 H116 N4 O12 Si4 -","2","1","","Liu, Yuyin; Wang, Zhi-Peng; Banne, Sreenivas; Guo, Jian; He, Yun","Toward the Total Synthesis of Scabrosins: Synthesis of a Desulfur-scabrosin Skeleton and Its Stereoisomers.","The Journal of organic chemistry","2019","84","9","5838","5845","10.1021/acs.joc.9b00015","","","0.71073","MoKα","","0.0717","0.0574","","","0.1378","0.1499","","","","","","1.046","","","","has coordinates","222858","2020-10-21","18:00:00",""
"4034320","10.822","0.002","10.616","0.003","24.636","0.006","90","","90","","90","","2830.3","1.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0562","0.0535","","","0.1273","0.1292","","","","","","1.129","","","","has coordinates","222859","2020-10-21","18:00:00",""
"4034321","10.563","0.004","13.604","0.005","20.789","0.008","95.046","0.004","95.418","0.006","105.221","0.006","2849.9","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","4","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0798","0.0659","","","0.1566","0.1665","","","","","","1.097","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4034322","11.61","0.005","11.921","0.005","14.947","0.006","90","","93.993","0.006","90","","2063.7","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 B O2 Si -","- C21 H27 B O2 Si -","- C84 H108 B4 O8 Si4 -","4","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0724","0.0544","","","0.1382","0.1496","","","","","","1.093","","","","has coordinates","222861","2020-10-21","18:00:00",""
"4034323","9.87","0.0005","12.7437","0.0005","21.0391","0.0011","90","","98.435","0.002","90","","2617.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br Cl3 O S2 -","- C28 H20 Br Cl3 O S2 -","- C112 H80 Br4 Cl12 O4 S8 -","4","1","","Yu, Jing-Jing; Zhao, Li-Yang; Shi, Zhao-Tao; Zhang, Qi; London, Gabor; Liang, Wen-Jing; Gao, Chuan; Li, Ming-Ming; Cao, Xiao-Ming; Tian, He; Feringa, Ben L.; Qu, Da-Hui","Pumping a Ring-Sliding Molecular Motion by a Light-Powered Molecular Motor.","The Journal of organic chemistry","2019","84","9","5790","5802","10.1021/acs.joc.9b00783","","","0.71073","MoKα","","0.0811","0.0567","","","0.1458","0.1667","","","","","","1.05","","","","has coordinates","222862","2020-10-21","18:00:00",""
"4034324","21.012","0.003","9.291","0.0015","22.808","0.004","90","","115.469","0.002","90","","4019.9","1.1","203","","203","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C184 H176 N16 O56 -","8","1","","Liu, Zhan-Jiang; Huang, Pei-Qiang","Biomimetic Enantioselective Total Synthesis of (-)-Robustanoids A and B and Analogues.","The Journal of organic chemistry","2019","84","9","5627","5634","10.1021/acs.joc.9b00573","","","0.71073","MoKα","","0.0519","0.0496","","","0.1193","0.121","","","","","","1.0226","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034325","12.1414","0.0004","13.874","0.0006","12.6453","0.0005","90","","102.044","0.004","90","","2083.21","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 S -","- C26 H18 N4 S -","- C104 H72 N16 S4 -","4","1","","Tian, Lu-Lu; Lu, Shuai; Zhang, Zhe-Hua; Huang, En-Ling; Yan, Hua-Ting; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Catalyzed Double Thiolation To Access Sulfur-Bridged Imidazopyridines with Isothiocyanate.","The Journal of organic chemistry","2019","84","9","5213","5221","10.1021/acs.joc.9b00186","","x-ray","1.54184","CuKα","","0.0594","0.046","","","0.1204","0.1348","","","","","","1.021","","","","has coordinates","222864","2020-10-21","18:00:00",""
"4034326","12.6916","0.0008","14.151","0.0008","11.559","0.0003","90","","97.054","0.004","90","","2060.27","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 S -","- C26 H18 N4 S -","- C104 H72 N16 S4 -","4","1","","Tian, Lu-Lu; Lu, Shuai; Zhang, Zhe-Hua; Huang, En-Ling; Yan, Hua-Ting; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Catalyzed Double Thiolation To Access Sulfur-Bridged Imidazopyridines with Isothiocyanate.","The Journal of organic chemistry","2019","84","9","5213","5221","10.1021/acs.joc.9b00186","","x-ray","1.54184","CuKα","","0.0636","0.0468","","","0.1205","0.1362","","","","","","1.034","","","","has coordinates","222865","2020-10-21","18:00:00",""
"4034327","8.3166","0.0017","9.658","0.002","13.006","0.003","79.557","0.005","88.171","0.005","76.363","0.005","998.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O2 S2 -","- C24 H17 N O2 S2 -","- C48 H34 N2 O4 S4 -","2","1","","Ansari, Monish A.; Yadav, Dhananjay; Soni, Sonam; Srivastava, Abhijeet; Singh, Maya Shankar","Visible-Light-Mediated Synthesis of 1,2,4-Dithiazolidines from β-Ketothioamides through a Hydrogen-Atom-Transfer Photocatalytic Approach of Eosin Y.","The Journal of organic chemistry","2019","84","9","5404","5412","10.1021/acs.joc.9b00406","","","0.71073","MoKα","","0.0591","0.0387","","","0.0896","0.1001","","","","","","1.027","","","","has coordinates","222866","2020-10-21","18:00:00",""
"4034328","29.6487","0.0011","13.0893","0.0005","17.7197","0.0007","90","","96.913","0.002","90","","6826.7","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 B O P S2 -","- C38 H36 B O P S2 -","- C304 H288 B8 O8 P8 S16 -","8","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0716","0.0534","","","0.1336","0.1447","","","","","","1.061","","","","has coordinates,has disorder","222867","2020-10-21","18:00:00",""
"4034329","11.6641","0.0007","12.1907","0.0007","14.4512","0.0009","80.433","0.002","89.399","0.002","78.359","0.002","1984","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 B O P S2 -","- C46 H52 B O P S2 -","- C92 H104 B2 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0621","0.0456","","","0.0975","0.1062","","","","","","1.034","","","","has coordinates","222868","2020-10-21","18:00:00",""
"4034330","8.8277","0.0009","12.822","0.0013","15.1587","0.0017","103.228","0.005","97.761","0.005","91.734","0.005","1651.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H45 B O S3 -","- C35 H45 B O S3 -","- C70 H90 B2 O2 S6 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0845","0.0641","","","0.1507","0.1715","","","","","","1.058","","","","has coordinates,has disorder","222869","2020-10-21","18:00:00",""
"4034331","18.0467","0.0004","20.8531","0.0004","23.1236","0.0005","90","","103.603","0.001","90","","8458","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 B O P S2 -","- C54 H44 B O P S2 -","- C432 H352 B8 O8 P8 S16 -","8","2","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0505","0.0399","","","0.1032","0.1107","","","","","","1.049","","","","has coordinates","222870","2020-10-21","18:00:00",""
"4034332","11.018","0.002","13.978","0.002","14.495","0.002","100.529","0.004","102.683","0.004","91.51","0.004","2136.1","0.6","90.15","","90.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 B Cl2 O P S2 -","- C51 H46 B Cl2 O P S2 -","- C102 H92 B2 Cl4 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0692","0.0437","","","0.0987","0.1097","","","","","","1.03","","","","has coordinates","222871","2020-10-21","18:00:00",""
"4034333","14.5432","0.0005","21.3618","0.0006","14.7634","0.0004","90","","110.208","0.001","90","","4304.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B O3 P S2 -","- C52 H48 B O3 P S2 -","- C208 H192 B4 O12 P4 S8 -","4","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.046","0.039","","","0.0885","0.0935","","","","","","1.034","","","","has coordinates","222872","2020-10-21","18:00:00",""
"4034334","33.057","0.003","8.1023","0.0006","26.4753","0.0018","90","","107.952","0.006","90","","6745.9","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H44.75 B O2 S3 -","- C35 H44.75 B O2 S3 -","- C280 H358 B8 O16 S24 -","8","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0745","0.0512","","","0.1278","0.1389","","","","","","1.043","","","","has coordinates,has disorder","222873","2020-10-21","18:00:00",""
"4034335","11.8758","0.0012","12.0304","0.0015","16.3579","0.0015","77.637","0.003","88.199","0.003","76.017","0.003","2214.7","0.4","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 B O P S2 -","- C52 H64 B O P S2 -","- C104 H128 B2 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0435","0.0357","","","0.0939","0.0991","","","","","","1.051","","","","has coordinates","222874","2020-10-21","18:00:00",""
"4034336","5.80118","0.00004","13.5476","0.00006","21.7017","0.0001","90","","90","","90","","1705.58","0.016","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Rokade, Balaji V.; Guiry, Patrick J.","Enantioselective Catalytic Asymmetric A3 Coupling with Phosphino-Imidazoline Ligands.","The Journal of organic chemistry","2019","84","9","5763","5772","10.1021/acs.joc.9b00728","","","1.54184","CuKα","","0.0282","0.0277","","","0.0758","0.0763","","","","","","1.104","","","","has coordinates","222875","2020-10-21","18:00:00",""
"4034337","7.1461","0.0003","16.5305","0.0007","16.9667","0.0008","90","","90","","90","","2004.25","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 S -","- C19 H26 O5 S -","- C76 H104 O20 S4 -","4","1","","Hazarika, Hemanta; Neog, Kashmiri; Sharma, Abhilash; Das, Babulal; Gogoi, Pranjal","Three-Component Coupling Reactions of Aryne, DMSO, and Activated Alkyne: Stereoselective Synthesis of 2-[( o-Methylthio)aryloxy]-Substituted Dialkyl Maleates.","The Journal of organic chemistry","2019","84","9","5846","5854","10.1021/acs.joc.9b00090","","","0.71073","MoKα","","0.0504","0.0367","","","0.0763","0.0818","","","","","","0.937","","","","has coordinates","222876","2020-10-21","18:00:00",""
"4034338","9.38","0.001","11.273","0.0011","25.44","0.003","90","","90","","90","","2690","0.5","300","2","300.27","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 S -","- C27 H30 N2 O5 S -","- C108 H120 N8 O20 S4 -","4","1","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.0803","0.0598","","","0.1382","0.1483","","","","","","1.052","","","","has coordinates","222877","2020-10-21","18:00:00",""
"4034339","5.602","0.0006","18.4031","0.0018","24.676","0.003","90","","90.769","0.004","90","","2543.7","0.5","102","2","102.19","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 I N2 O3 -","- C26 H23 I N2 O3 -","- C104 H92 I4 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1028","0.0794","","","0.1975","0.2224","","","","","","1.03","","","","has coordinates,has disorder","222878","2020-10-21","18:00:00",""
"4034340","11.06","0.002","9.1934","0.0017","22.324","0.005","90","","94.265","0.007","90","","2263.6","0.8","100","2","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1287","0.081","","","0.1886","0.2241","","","","","","0.99","","","","has coordinates","222879","2020-10-21","18:00:00",""
"4034341","7.3739","0.0003","9.7254","0.0003","11.292","0.0004","108.782","0.001","103.782","0.001","98.661","0.001","721.49","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.","Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.","The Journal of organic chemistry","2019","84","9","5056","5066","10.1021/acs.joc.8b03267","","","0.71073","MoKα","","0.0406","0.0364","","","0.0948","0.0981","","","","","","1.052","","","","has coordinates","222880","2020-10-21","18:00:00",""
"4034342","27.2621","0.0007","27.2621","0.0007","10.2163","0.0003","90","","90","","120","","6575.7","0.3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C342 H270 N18 O36 -","18","1","","Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.","Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.","The Journal of organic chemistry","2019","84","9","5056","5066","10.1021/acs.joc.8b03267","","","0.71073","MoKα","","0.0636","0.0451","","","0.1045","0.1143","","","","","","1.033","","","","has coordinates","222881","2020-10-21","18:00:00",""
"4034343","8.2249","0.0008","9.6794","0.0007","12.1006","0.001","71.122","0.007","84.574","0.007","71.434","0.008","864.06","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Sanogo, Youssouf; Othman, Raja Ben; Dhambri, Sabrina; Selkti, Mohamed; Jeuken, Alan; Prunet, Joëlle; Férézou, Jean-Pierre; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Ti(II) and Rh(I) Complexes as Reagents toward a Thapsigargin Core.","The Journal of organic chemistry","2019","84","9","5821","5830","10.1021/acs.joc.8b03249","","x-ray","0.71073","MoKα","","0.0642","0.0479","","","0.1317","0.143","","","","","","1.05","","","","has coordinates","222882","2020-10-21","18:00:00",""
"4034344","14.1845","0.0005","8.4955","0.0003","25.876","0.003","90","","100.645","0.007","90","","3064.5","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C120 H176 O40 -","8","1","","Sanogo, Youssouf; Othman, Raja Ben; Dhambri, Sabrina; Selkti, Mohamed; Jeuken, Alan; Prunet, Joëlle; Férézou, Jean-Pierre; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Ti(II) and Rh(I) Complexes as Reagents toward a Thapsigargin Core.","The Journal of organic chemistry","2019","84","9","5821","5830","10.1021/acs.joc.8b03249","","","1.54187","CuKα","","0.0998","0.0687","","","0.1973","0.2378","","","","","","1.12","","","","has coordinates","222883","2020-10-21","18:00:00",""
"4034345","14.4545","0.0004","14.4545","0.0004","11.1066","0.0004","90","","90","","120","","2009.64","0.11","93","","93","","","","","","","","","6","P 31","P 31","144","","","","- C23 H29 F3 N2 O9 S2 -","- C23 H29 F3 N2 O9 S2 -","- C69 H87 F9 N6 O27 S6 -","3","1","","Kaneko, Hiroki; Takahashi, Shunsuke; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Fawcettimine-Type Lycopodium Alkaloid, Lycopoclavamine-A.","The Journal of organic chemistry","2019","84","9","5645","5654","10.1021/acs.joc.9b00586","","","1.54187","CuKα","","0.1971","0.1076","","","0.228","0.3012","","","","","","1.369","","","","has coordinates","222884","2020-10-21","18:00:00",""
"4034346","10.654","0.001","12.563","0.002","26.016","0.004","90","","103.023","0.002","90","","3392.6","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C152 H144 N16 O40 -","8","1","","Pirovano, Valentina; Brambilla, Elisa; Rizzato, Silvia; Abbiati, Giorgio; Bozzi, Marta; Rossi, Elisabetta","Gold-Catalyzed Cascade Reactions of 4 H-Furo[3,2- b]indoles with Allenamides: Synthesis of Indolin-3-one Derivatives.","The Journal of organic chemistry","2019","84","9","5150","5166","10.1021/acs.joc.9b00143","","x-ray","0.71073","MoKα","","0.0942","0.0643","","","0.1596","0.1765","","","","","","1.03","","","","has coordinates","222885","2020-10-21","18:00:00",""
"4034347","10.5752","0.0005","11.3591","0.0006","16.2379","0.0008","79.02","0.001","82.161","0.001","70.701","0.001","1801.58","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","2","","Pirovano, Valentina; Brambilla, Elisa; Rizzato, Silvia; Abbiati, Giorgio; Bozzi, Marta; Rossi, Elisabetta","Gold-Catalyzed Cascade Reactions of 4 H-Furo[3,2- b]indoles with Allenamides: Synthesis of Indolin-3-one Derivatives.","The Journal of organic chemistry","2019","84","9","5150","5166","10.1021/acs.joc.9b00143","","x-ray","0.71073","MoKα","","0.0634","0.0489","","","0.131","0.1431","","","","","","1.025","","","","has coordinates,has disorder","222885","2020-10-21","18:00:00",""
"4034348","9.5434","0.0015","10.2429","0.0015","10.6535","0.0015","71.312","0.004","76.32","0.004","87.19","0.004","958.1","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O -","- C24 H21 N O -","- C48 H42 N2 O2 -","2","1","","Zhang, Yazhen; Huang, Liliang; Li, Xiaoyang; Wang, Le; Feng, Huangdi","Chemo- and Diastereoselective Synthesis of N-Propargyl Oxazolidines through a Copper-Catalyzed Domino A<sup>3</sup> Reaction.","The Journal of organic chemistry","2019","84","9","5046","5055","10.1021/acs.joc.8b03244","","","0.71073","MoKα","","0.1697","0.0901","","","0.1928","0.225","","","","","","1.049","","","","has coordinates,has disorder","222886","2020-10-21","18:00:00",""
"4034349","16.7664","0.0005","7.0835","0.0002","23.4964","0.0008","90","","90","","90","","2790.55","0.15","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 I2 -","- C15 H12 I2 -","- C120 H96 I16 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0385","0.0295","","","0.0587","0.0619","","","","","","1.025","","","","has coordinates","222887","2020-10-21","18:00:00",""
"4034350","10.7186","0.0003","11.7426","0.0003","12.709","0.0003","85.646","0.002","67.22","0.001","85.535","0.002","1468.54","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H22 F9 N O3 S Si -","- C30 H22 F9 N O3 S Si -","- C60 H44 F18 N2 O6 S2 Si2 -","2","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0823","0.0467","","","0.1082","0.121","","","","","","1.081","","","","has coordinates","222888","2020-10-21","18:00:00",""
"4034351","25.3984","0.0009","12.3476","0.0003","17.0885","0.0006","90","","132.247","0.003","90","","3967.1","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 B N2 O Si -","- C21 H21 B N2 O Si -","- C168 H168 B8 N16 O8 Si8 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0512","0.0386","","","0.0929","0.102","","","","","","1.031","","","","has coordinates","222889","2020-10-21","18:00:00",""
"4034352","18.524","0.0006","10.8785","0.0006","13.2463","0.0006","90","","129.107","0.004","90","","2071.3","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","1","","Bollu, Amarnath; Sharma, Nagendra K.","Cleavable Amide Bond: Mechanistic Insight into Cleavable 4-Aminopyrazolyloxy Acetamide at Low pH.","The Journal of organic chemistry","2019","84","9","5596","5602","10.1021/acs.joc.9b00535","","","0.71073","MoKα","","0.0518","0.0441","","","0.1169","0.1276","","","","","","1.066","","","","has coordinates","222890","2020-10-21","18:00:00",""
"4034353","8.7598","0.0003","11.9832","0.0003","16.0074","0.0004","90","","90","","90","","1680.3","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F N2 O4 S -","- C17 H15 F N2 O4 S -","- C68 H60 F4 N8 O16 S4 -","4","1","","Zhao, Jianbo; Li, Ya; Chen, Ling-Yan; Ren, Xinfeng","Enantioselective Mannich Reactions of 3-Fluorooxindoles with Cyclic N-Sulfamidate Aldimines.","The Journal of organic chemistry","2019","84","9","5099","5108","10.1021/acs.joc.9b00007","","","0.71073","MoKα","","0.0386","0.0347","","","0.0907","0.0944","","","","","","1.039","","","","has coordinates","222891","2020-10-21","18:00:00",""
"4034354","6.1251","0.0002","17.1463","0.0005","19.4588","0.0007","90","","90.903","0.003","90","","2043.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 S3 -","- C24 H18 N2 S3 -","- C96 H72 N8 S12 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0685","0.0428","","","0.0674","0.0743","","","","","","1.082","","","","has coordinates","222892","2020-10-21","18:00:00",""
"4034355","9.7001","0.0007","10.8001","0.0008","18.1902","0.0013","90","","93.173","0.007","90","","1902.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Cl N S3 -","- C22 H12 Cl N S3 -","- C88 H48 Cl4 N4 S12 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0654","0.0439","","","0.0827","0.0957","","","","","","1.007","","","","has coordinates","222893","2020-10-21","18:00:00",""
"4034356","6.1973","0.0005","31.092","0.003","7.8625","0.0007","90","","98.747","0.007","90","","1497.4","0.2","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N S -","- C18 H17 N S -","- C72 H68 N4 S4 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.1695","0.0659","","","0.0803","0.1063","","","","","","0.998","","","","has coordinates","222894","2020-10-21","18:00:00",""
"4034357","9.8448","0.0009","12.6834","0.0012","15.882","0.0014","74.186","0.004","86.987","0.004","77.953","0.004","1866","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Cl N S3 -","- C22 H12 Cl N S3 -","- C88 H48 Cl4 N4 S12 -","4","2","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0578","0.0431","","","0.0781","0.0862","","","","","","1.066","","","","has coordinates,has disorder","222895","2020-10-21","18:00:00",""
"4034358","6.3002","0.0004","12.8333","0.0006","22.1179","0.001","90","","90","","90","","1788.28","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Li, Geng; Li, Heng; Zhang, Quan; Yang, Min; Gu, Yu-Cheng; Liang, Lin-Fu; Tang, Wei; Guo, Yue-Wei","Rare Cembranoids from Chinese Soft Coral Sarcophyton ehrenbergi: Structural and Stereochemical Studies.","The Journal of organic chemistry","2019","84","9","5091","5098","10.1021/acs.joc.9b00030","","","1.54178","CuKα","","0.0322","0.0301","","","0.0801","0.0815","","","","","","1.048","","","","has coordinates","222896","2020-10-21","18:00:00",""
"4034359","10.5465","0.0003","10.7385","0.0003","11.308","0.0003","90","","90","","90","","1280.67","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F3 O2 -","- C6 H7 F3 O2 -","- C48 H56 F24 O16 -","8","2","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0323","0.0288","","","0.0717","0.0731","","","","","","1.033","","","","has coordinates","222897","2020-10-21","18:00:00",""
"4034360","5.0898","0.0014","7.4264","0.0013","9.842","0.003","90","","102.18","0.03","90","","363.64","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C12 H18 F6 O6 -","2","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0985","0.0891","","","0.245","0.2599","","","","","","1.113","","","","has coordinates","222898","2020-10-21","18:00:00",""
"4034361","5.4802","0.0001","7.5663","0.0002","18.5353","0.0005","90","","90","","90","","768.56","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C24 H36 F12 O12 -","4","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0344","0.0335","","","0.0912","0.0921","","","","","","1.066","","","","has coordinates","222899","2020-10-21","18:00:00",""
"4034362","45.8821","0.0012","12.5134","0.0004","9.1092","0.0002","90","","95.645","0.002","90","","5204.6","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C192 H256 F64 O96 -","32","8","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0483","0.0341","","","0.1012","0.1164","","","","","","1.053","","","","has coordinates","222900","2020-10-21","18:00:00",""
"4034363","9.4854","0.0007","12.5272","0.001","13.1934","0.0016","63.411","0.01","89.962","0.008","80.155","0.006","1376.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H35 N3 -","- C33 H35 N3 -","- C66 H70 N6 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.1181","0.0951","","","0.2197","0.2328","","","","","","1.126","","","","has coordinates","222901","2020-10-21","18:00:00",""
"4034364","9.2883","0.0007","23.2285","0.0008","9.3154","0.0007","90","","109.472","0.008","90","","1894.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","2","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","","1.54187","CuKα","","0.1005","0.0411","","","0.0857","0.1371","","","","","","1.149","","","","has coordinates","222902","2020-10-21","18:00:00",""
"4034365","25.855","0.002","9.4237","0.0006","25.289","0.002","90","","114.109","0.01","90","","5624.2","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H35 N3 -","- C33 H35 N3 -","- C264 H280 N24 -","8","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.0907","0.069","","","0.1751","0.1887","","","","","","1.032","","","","has coordinates","222903","2020-10-21","18:00:00",""
"4034366","5.9434","0.0006","12.1854","0.0012","15.7437","0.0014","88.834","0.008","84.137","0.008","81.962","0.008","1123.07","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C54 H46 N6 O6 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.1124","0.0657","","","0.1547","0.1725","","","","","","1.031","","","","has coordinates,has disorder","222904","2020-10-21","18:00:00",""
"4034367","26.394","0.003","7.2723","0.0008","14.8685","0.0013","90","","95.381","0.008","90","","2841.4","0.5","293.39","0.1","293.39","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Zhu, Jing; Li, Rui; Su, Yan; Gu, Peiming","Synthesis of Isoindoles from Intramolecular Condensation of Benzyl Azides with α-Aryldiazoesters.","The Journal of organic chemistry","2019","84","9","5813","5820","10.1021/acs.joc.8b03180","","","0.71073","MoKα","","0.102","0.0604","","","0.1352","0.169","","","","","","1.074","","","","has coordinates","222905","2020-10-21","18:00:00",""
"4034368","12.8127","0.0008","9.6523","0.0005","15.1119","0.0009","90","","91.014","0.003","90","","1868.63","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Ag F3 N4 O2 -","- C32 H56 Ag F3 N4 O2 -","- C64 H112 Ag2 F6 N8 O4 -","2","0.5","","Mir, Roya; Rowshanpour, Rozhin; Dempsey, Katie; Pilkington, Melanie; Dudding, Travis","Selective Aerobic Oxidation of Benzylic Alcohols Catalyzed by a Dicyclopropenylidene-Ag(I) Complex.","The Journal of organic chemistry","2019","84","9","5726","5731","10.1021/acs.joc.9b00624","","","0.71073","MoKα","","0.0706","0.0608","","","0.1696","0.1827","","","","","","1.14","","","","has coordinates,has disorder","222906","2020-10-21","18:00:00",""
"4034369","7.5095","0.001","13.3501","0.0018","18.111","0.003","90","","90","","90","","1815.7","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Matsubara, Ryosuke; Kaiba, Tomoaki; Nakata, Akito; Yabuta, Tatsushi; Hayashi, Masahiko; Tsubaki, Motonari; Uchino, Takashi; Chatani, Eri","9-Aryl-3-aminocarbazole as an Environment- and Stimuli-Sensitive Fluorogen and Applications in Lipid Droplet Imaging.","The Journal of organic chemistry","2019","84","9","5535","5547","10.1021/acs.joc.9b00493","","","0.71069","MoKα","","","0.042","","","","0.0975","","","","","","1.033","","","","has coordinates","222907","2020-10-21","18:00:00",""
"4034370","15.6759","0.0005","7.256","0.0002","19.3615","0.0005","90","","111.935","0.004","90","","2042.84","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","","John, Jubi; Omanakuttan, Vishnu K.; T, Aneeja; Suresh, Cherumuttathu H.; Jones, Peter G.; Hopf, Henning","Tandem α-Arylation/Cyclization of 4-Haloacetoacetates with Arynes: A Metal-Free Approach toward 4-Aryl-3-(2 H)-furanones.","The Journal of organic chemistry","2019","84","9","5957","5964","10.1021/acs.joc.9b00488","","","0.71073","MoKα","","0.0397","0.0358","","","0.0951","0.0985","","","","","","1.054","","","","has coordinates","222908","2020-10-21","18:00:00",""
"4034371","7.3441","0.0004","8.1078","0.0006","13.414","0.0008","77.358","0.007","82.035","0.007","63.503","0.01","696.73","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br I N O -","- C15 H9 Br I N O -","- C30 H18 Br2 I2 N2 O2 -","2","1","","Mehta, Saurabh; Brahmchari, Dhirendra","Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones.","The Journal of organic chemistry","2019","84","9","5492","5503","10.1021/acs.joc.9b00452","","","0.71073","MoKα","","0.0754","0.0599","","","0.144","0.1561","","","","","","1.07","","","","has coordinates","222909","2020-10-21","18:00:00",""
"4034372","9.3645","0.0006","6.711","0.0005","17.121","0.001","90","","96.72","0.006","90","","1068.58","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N O -","- C15 H9 N O -","- C60 H36 N4 O4 -","4","1","","Mehta, Saurabh; Brahmchari, Dhirendra","Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones.","The Journal of organic chemistry","2019","84","9","5492","5503","10.1021/acs.joc.9b00452","","","0.71073","MoKα","","0.1052","0.0528","","","0.1054","0.1377","","","","","","1.063","","","","has coordinates","222910","2020-10-21","18:00:00",""
"4034373","7.5742","0.0006","9.6811","0.0008","14.8804","0.0012","75.378","0.007","82.224","0.006","85.679","0.006","1045.12","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H17 B F5 N3 O S -","- C23 H17 B F5 N3 O S -","- C46 H34 B2 F10 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.1027","0.0844","","","0.2539","0.2688","","","","","","1.154","","","","has coordinates","222911","2020-10-21","18:00:00",""
"4034374","7.475","0.0002","8.3821","0.0003","13.9171","0.0005","81.503","0.003","75.608","0.003","76.458","0.003","817.42","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H13 B Br F2 N3 O S -","- C16 H13 B Br F2 N3 O S -","- C32 H26 B2 Br2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0297","0.0243","","","0.0614","0.0629","","","","","","1.045","","","","has coordinates","222912","2020-10-21","18:00:00",""
"4034375","9.487","0.0004","9.5942","0.0003","21.6881","0.0008","89.071","0.003","83.721","0.003","73.245","0.003","1878.67","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 B F2 N3 O S -","- C22 H18 B F2 N3 O S -","- C88 H72 B4 F8 N12 O4 S4 -","4","2","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0555","0.0505","","","0.1344","0.1384","","","","","","0.96","","","","has coordinates","222913","2020-10-21","18:00:00",""
"4034376","14.8687","0.0005","9.9039","0.0002","14.7449","0.0004","90","","113.696","0.004","90","","1988.24","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 B F2 N4 O S -","- C23 H17 B F2 N4 O S -","- C92 H68 B4 F8 N16 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.0476","0.0385","","","0.0994","0.1045","","","","","","1.035","","","","has coordinates","222914","2020-10-21","18:00:00",""
"4034377","5.9096","0.0002","7.6125","0.0002","47.0191","0.0011","90","","90","","90","","2115.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 B F2 N4 O S -","- C24 H23 B F2 N4 O S -","- C96 H92 B4 F8 N16 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0331","0.0307","","","0.0788","0.0806","","","","","","1.074","","","","has coordinates","222915","2020-10-21","18:00:00",""
"4034378","5.4633","0.0002","7.9239","0.0004","42.334","0.002","90","","90","","90","","1832.67","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 B F2 N3 O S2 -","- C20 H16 B F2 N3 O S2 -","- C80 H64 B4 F8 N12 O4 S8 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.0604","0.0554","","","0.1378","0.1396","","","","","","1.065","","","","has coordinates,has disorder","222916","2020-10-21","18:00:00",""
"4034379","7.5467","0.0003","7.0232","0.0002","39.1624","0.0013","90","","93.585","0.003","90","","2071.62","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O2 S -","- C23 H20 B F2 N3 O2 S -","- C92 H80 B4 F8 N12 O8 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.048","0.045","","","0.1197","0.1214","","","","","","1.119","","","","has coordinates","222917","2020-10-21","18:00:00",""
"4034380","11.75","0.003","5.2155","0.0013","22.757","0.005","90","","102.894","0.005","90","","1359.4","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao","Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.","The Journal of organic chemistry","2019","84","9","5913","5921","10.1021/acs.joc.9b00282","","","0.71073","MoKα","","0.0927","0.0466","","","0.1097","0.1306","","","","","","1.026","","","","has coordinates","222918","2020-10-21","18:00:00",""
"4034381","37.313","0.003","37.313","0.003","4.8514","0.0005","90","","90","","120","","5849.5","0.9","297","","297.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C288 H180 N36 O36 -","18","1","","Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao","Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.","The Journal of organic chemistry","2019","84","9","5913","5921","10.1021/acs.joc.9b00282","","","1.54178","CuKα","","0.1248","0.0808","","","0.1945","0.2233","","","","","","1.048","","","","has coordinates","222919","2020-10-21","18:00:00",""
"4034382","12.0357","0.0002","18.1671","0.0004","21.3736","0.0004","90","","91.8761","0.0016","90","","4670.91","0.16","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C208 H272 O48 -","8","2","","Ma, Tsz-Kan; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Radical Anion Cascade Triene Cyclization: Biomimetic Total Syntheses of Austalide Natural Products.","The Journal of organic chemistry","2019","84","9","4961","4970","10.1021/acs.joc.9b00142","","","1.54184","CuKα","","0.0905","0.0538","","","0.1226","0.1446","","","","","","1.01","","","","has coordinates,has disorder","222920","2020-10-21","18:00:00",""
"4034383","7.9945","0.0013","8.1909","0.0014","11.3613","0.0019","108.674","0.005","101.616","0.005","98.853","0.006","671","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C36 H28 N4 O2 -","2","1","","Belyaeva, Kseniya V.; Nikitina, Lina P.; Mal'kina, Anastasiya G.; Afonin, Andrei V.; Vashchenko, Alexander V.; Trofimov, Boris A.","Cyanoacetylenes as Triggers and Partners in KOH-Assisted Assemblies of Quinoline-Based Dihydropyrimido[1,2-<i>a</i>]quinolin-3-ones on Water.","The Journal of organic chemistry","2019","84","15","9726","9733","10.1021/acs.joc.9b01482","","","0.71073","MoKα","","0.0981","0.066","","","0.1632","0.1823","","","","","","1.055","","","","has coordinates","222921","2020-10-21","18:00:00",""
"4034384","9.6872","0.0009","12.243","0.0012","16.6225","0.0015","90","","102.063","0.003","90","","1927.9","0.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","1","","Narangoda, Chandima J.; Kakeshpour, Tayeb; Lex, Timothy R.; Redden, Brandon K.; Moore, Madelyn A.; Frank, Emma M.; McMillen, Colin D.; Wiskur, Sheryl L.; Kitaygorodskiy, Alex; Jackson, James E.; Whitehead, Daniel C.","Cycloaddition/Electrocyclic Ring Opening Sequence between Alkynyl Sulfides and Azodicarboxylates To Provide <i>N</i>,<i>N</i>-Dicarbamoyl 2-Iminothioimidates.","The Journal of organic chemistry","2019","84","15","9734","9743","10.1021/acs.joc.9b01515","","","0.71073","MoKα","","0.0395","0.0331","","","0.0763","0.08","","","","","","1.08","","","","has coordinates","222922","2020-10-21","18:00:00",""
"4034385","8.3957","0.0005","10.1273","0.0006","10.864","0.0006","94.618","0.003","95.332","0.004","94.579","0.004","913.18","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br N2 O6 -","- C18 H15 Br N2 O6 -","- C36 H30 Br2 N4 O12 -","2","1","","Ono, Yoshiki; Nakazaki, Atsuo; Ueki, Kaori; Higuchi, Keiko; Sriphana, Uraiwan; Adachi, Masaatsu; Nishikawa, Toshio","Asymmetric Synthesis of the Aromatic Fragment of Sespendole.","The Journal of organic chemistry","2019","84","15","9750","9757","10.1021/acs.joc.9b01597","","","1.54187","CuKα","","0.0692","0.0567","","","0.1542","0.1637","","","","","","1.099","","","","has coordinates","222923","2020-10-21","18:00:00",""
"4034386","42.404","0.006","7.2286","0.0007","20.011","0.004","90","","103.906","0.014","90","","5954","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","10 in manuscript","","","- C38 H24 O2.5 S2 -","- C38 H24 O2.5 S2 -","- C304 H192 O20 S16 -","8","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.4247","0.3019","","","0.5621","0.612","","","","","","3.154","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034387","6.3875","0.0005","15.891","0.0013","6.5698","0.0005","90","","100.771","0.0011","90","","655.11","0.09","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br4 -","- C14 H6 Br4 -","- C28 H12 Br8 -","2","0.5","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","0.71073","MoKα","","0.0229","0.0193","","","0.0451","0.0462","","","","","","1.034","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034388","21.1699","0.0009","12.3706","0.0003","25.2309","0.0011","90","","103.887","0.003","90","","6414.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","18 in manuscript","","","- C74 H78 O2 Si4 -","- C74 H78 O2 Si4 -","- C296 H312 O8 Si16 -","4","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.1784","0.0786","","","0.144","0.1845","","","","","","1.02","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034389","25.742","0.0007","12.162","0.0002","18.7326","0.0004","90","","105.989","0.002","90","","5637.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","17 in manuscript","","","- C56 H84 O2 Si6 -","- C56 H84 O2 Si6 -","- C224 H336 O8 Si24 -","4","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.0622","0.0463","","","0.1062","0.1169","","","","","","1.057","","","","has coordinates,has disorder","222924","2020-10-21","18:00:00",""
"4034390","14.9128","0.0009","9.6989","0.0005","19.5579","0.001","90","","96.549","0.006","90","","2810.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 N3 O2 S -","- C35 H33 N3 O2 S -","- C140 H132 N12 O8 S4 -","4","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0866","0.064","","","0.1655","0.1878","","","","","","1.041","","","","has coordinates","222925","2020-10-21","18:00:00",""
"4034391","10.2015","0.0009","10.5115","0.001","12.4818","0.0014","66.676","0.01","66.523","0.01","89.163","0.007","1110.9","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N3 O2 S -","- C27 H25 N3 O2 S -","- C54 H50 N6 O4 S2 -","2","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0764","0.0579","","","0.1503","0.1719","","","","","","1.045","","","","has coordinates","222926","2020-10-21","18:00:00",""
"4034392","8.657","0.0007","26.7995","0.0018","10.5139","0.0008","90","","102.303","0.008","90","","2383.2","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N3 O2 S -","- C28 H27 N3 O2 S -","- C112 H108 N12 O8 S4 -","4","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0717","0.051","","","0.1191","0.1335","","","","","","1.017","","","","has coordinates","222927","2020-10-21","18:00:00",""
"4034393","13.11","0.01","8.187","0.003","19.242","0.005","90","","106.69","0.04","90","","1978.3","1.8","373","2","373","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49.6 H35.2 Cl1.2 -","- C49.6 H35.2 Cl1.2 -","- C99.2 H70.4 Cl2.4 -","2","0.5","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1021","0.0899","","","0.2498","0.2672","","","","","","1.067","","","","has coordinates,has disorder","222928","2020-10-21","18:00:00",""
"4034394","15.485","0.003","9.779","0.004","26.384","0.004","90","","96.527","0.003","90","","3969.4","1.9","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C51 H38 Cl4 -","- C51 H38 Cl4 -","- C204 H152 Cl16 -","4","1","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1095","0.0912","","","0.2565","0.2725","","","","","","1.034","","","","has coordinates,has disorder","222929","2020-10-21","18:00:00",""
"4034395","12.8137","0.0007","16.6915","0.001","10.8066","0.0007","90","","99.3292","0.0014","90","","2280.7","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C84 H128 N8 O24 -","4","1","","Osaka, Kazuyuki; Usami, Ayuka; Iwasaki, Tomoya; Yamawaki, Mugen; Morita, Toshio; Yoshimi, Yasuharu","Sequential Intermolecular Radical Addition and Reductive Radical Cyclization of Tyrosine and Phenylalanine Derivatives with Alkenes via Photoinduced Decarboxylation: Access to Ring-Constrained γ-Amino Acids.","The Journal of organic chemistry","2019","84","15","9480","9488","10.1021/acs.joc.9b00970","","","0.71075","MoKα","","","0.1038","","","","0.4488","","","","","","0.752","","","","has coordinates","222930","2020-10-21","18:00:00",""
"4034396","11.2529","0.0006","10.6509","0.0006","15.9247","0.0009","90","","102.231","0.006","90","","1865.31","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 O P S2 -","- C17 H27 O P S2 -","- C68 H108 O4 P4 S8 -","4","1","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","x-ray","0.71073","MoKα","","0.0332","0.0276","","","0.0667","0.0699","","","","","","1.031","","","","has coordinates","222931","2020-10-21","18:00:00",""
"4034397","7.6112","0.0001","11.6546","0.0002","22.0545","0.0004","90","","97.261","0.002","90","","1940.67","0.06","173","2","173","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 P S3 -","- C17 H27 P S3 -","- C68 H108 P4 S12 -","4","2","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","x-ray","1.54184","CuKα","","0.0431","0.0426","","","0.1135","0.1143","","","","","","1.068","","","","has coordinates,has disorder","222931","2020-10-21","18:00:00",""
"4034398","7.6056","0.0003","11.6865","0.0004","11.2799","0.0004","90","","101.66","0.002","90","","981.9","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 P S2 Se -","- C17 H27 P S2 Se -","- C34 H54 P2 S4 Se2 -","2","1","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","","0.71073","MoKα","","0.0345","0.0285","","","0.0589","0.0675","","","","","","1.065","","","","has coordinates","222931","2020-10-21","18:00:00",""
"4034399","10.4256","0.0008","5.0334","0.0003","12.3473","0.0008","90","","100.178","0.007","90","","637.74","0.08","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0537","0.0421","","","0.0821","0.0871","","","","","","1.049","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034400","12.01317","0.00019","5.15118","0.00008","25.5406","0.0004","90","","100.633","0.0016","90","","1553.36","0.04","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","2","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0501","0.0416","","","0.0954","0.1","","","","","","1.05","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034401","8.21878","0.00012","15.829","0.0002","29.2661","0.0004","90","","90","","90","","3807.38","0.09","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C180 H264 O24 -","12","3","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0464","0.0392","","","0.0888","0.0926","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034402","5.43829","0.00016","13.3879","0.0004","16.7506","0.0004","90","","90","","90","","1219.57","0.06","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0546","0.0435","","","0.094","0.0986","","","","","","1.025","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034403","5.6645","0.0008","11.4388","0.0017","21.259","0.004","90","","92.242","0.014","90","","1376.4","0.4","298","0.1","298","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Conboy, Darren; Mirallai, Styliana I.; Craig, Austin; McArdle, Patrick; Al-Kinani, Ali A; Barton, Stephen; Aldabbagh, Fawaz","Incorporating Morpholine and Oxetane into Benzimidazolequinone Antitumor Agents: The Discovery of 1,4,6,9-Tetramethoxyphenazine from Hydrogen Peroxide and Hydroiodic Acid-Mediated Oxidative Cyclizations.","The Journal of organic chemistry","2019","84","15","9811","9818","10.1021/acs.joc.9b01427","","","0.71073","MoKα","","0.173","0.1293","","","0.3623","0.39","","","","","","1.243","","","","has coordinates","222934","2020-10-21","18:00:00",""
"4034404","10.1616","0.0006","10.1802","0.0007","13.8624","0.0009","87.935","0.006","86.834","0.005","64","0.006","1286.81","0.16","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl N2 O3 -","- C12 H17 Cl N2 O3 -","- C48 H68 Cl4 N8 O12 -","4","2","","Conboy, Darren; Mirallai, Styliana I.; Craig, Austin; McArdle, Patrick; Al-Kinani, Ali A; Barton, Stephen; Aldabbagh, Fawaz","Incorporating Morpholine and Oxetane into Benzimidazolequinone Antitumor Agents: The Discovery of 1,4,6,9-Tetramethoxyphenazine from Hydrogen Peroxide and Hydroiodic Acid-Mediated Oxidative Cyclizations.","The Journal of organic chemistry","2019","84","15","9811","9818","10.1021/acs.joc.9b01427","","","0.71073","MoKα","","0.088","0.0682","","","0.1703","0.1834","","","","","","1.124","","","","has coordinates","222935","2020-10-21","18:00:00",""
"4034405","9.4881","0.0008","34.08","0.004","21.122","0.002","90","","90","","90","","6829.9","1.2","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C75 H65 B F2 N2 -","- C75 H65 B F2 N2 -","- C300 H260 B4 F8 N8 -","4","0.5","","Miao, Wei; Feng, Yuanmei; Wu, Qinghua; Sheng, Wanle; Li, Mao; Liu, Qingyun; Hao, Erhong; Jiao, Lijuan","Phenanthro[<i>b</i>]-Fused BODIPYs through Tandem Suzuki and Oxidative Aromatic Couplings: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2019","84","15","9693","9704","10.1021/acs.joc.9b01425","","","0.71073","MoKα","","0.1163","0.069","","","0.1591","0.1828","","","","","","1.04","","","","has coordinates","222936","2020-10-21","18:00:00",""
"4034406","7.2849","0.0011","8.8114","0.0013","13.947","0.002","92.768","0.002","99.629","0.003","113.402","0.002","803.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Wang, Mingshan; Shi, Lou; Li, Yifei; Liu, Qun; Pan, Ling","Synthesis of γ-Pyrones from Formal [4 + 2] Cyclization of Ketene Dithioacetals with Acyl Chlorides.","The Journal of organic chemistry","2019","84","15","9603","9610","10.1021/acs.joc.9b01254","","","0.71073","MoKα","","0.0642","0.0478","","","0.118","0.1409","","","","","","1.091","","","","has coordinates","222937","2020-10-21","18:00:00",""
"4034407","12.238","0.0001","12.238","0.0001","13.7036","0.0002","90","","90","","90","","2052.37","0.04","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0289","0.0284","","","0.0704","0.0708","","","","","","1.078","","","","has coordinates","222938","2020-10-21","18:00:00",""
"4034408","8.0131","0.0002","8.5786","0.0002","18.3195","0.0005","90","","90","","90","","1259.3","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0562","0.0535","","","0.1524","0.1569","","","","","","1.065","","","","has coordinates","222939","2020-10-21","18:00:00",""
"4034409","11.6263","0.0001","13.4946","0.0001","11.7477","0.0001","90","","90.512","0.001","90","","1843.05","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N P -","- C24 H24 N P -","- C96 H96 N4 P4 -","4","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","1.54178","CuKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.037","","","","has coordinates","222940","2020-10-21","18:00:00",""
"4034410","9.7187","0.0009","5.5986","0.0005","23.953","0.003","90","","99.621","0.011","90","","1285","0.2","199.96","0.1","199.96","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br O4 -","- C13 H15 Br O4 -","- C52 H60 Br4 O16 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","0.71073","MoKα","","0.0769","0.0472","","","0.09","0.1019","","","","","","1.067","","","","has coordinates","222941","2020-10-21","18:00:00",""
"4034411","9.069","0.002","9.761","0.003","9.779","0.003","90","","108.224","0.003","90","","822.2","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","0.71073","MoKα","","0.0354","0.034","","","0.0788","0.0803","","","","","","1.052","","","","has coordinates","222942","2020-10-21","18:00:00",""
"4034412","7.39581","0.00012","9.46599","0.00017","13.8475","0.0002","90","","90","","90","","969.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0313","0.0312","","","0.0809","0.0811","","","","","","1.132","","","","has coordinates","222943","2020-10-21","18:00:00",""
"4034413","8.0054","0.0001","7.7314","0.0001","8.6884","0.0001","90","","95.249","0.001","90","","535.496","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.027","0.0269","","","0.0674","0.0675","","","","","","1.103","","","","has coordinates","222944","2020-10-21","18:00:00",""
"4034414","10.3937","0.0002","18.5331","0.0003","38.2687","0.0006","90","","90","","90","","7371.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H55 N O2.5 P -","- C40 H55 N O2.5 P -","- C320 H440 N8 O20 P8 -","8","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0513","0.048","","","0.1306","0.1335","","","","","","1.064","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034415","8.3691","0.0002","9.9458","0.0002","22.7743","0.0005","90","","90","","90","","1895.67","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O2 P -","- C24 H22 N O2 P -","- C96 H88 N4 O8 P4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0569","0.0498","","","0.1104","0.1182","","","","","","1.007","","","","has coordinates","222946","2020-10-21","18:00:00",""
"4034416","16.4812","0.0002","16.4812","0.0002","16.0775","0.0003","90","","90","","90","","4367.13","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C192 H240 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0278","0.0272","","0.0696","0.0689","0.0696","","","","","","1.0029","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034417","16.4674","0.0002","16.4674","0.0002","15.659","0.0004","90","","90","","90","","4246.33","0.13","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C184 H224 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0284","0.0277","","0.0713","0.0706","0.0713","","","","","","1.0023","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034418","16.3993","0.0002","16.3993","0.0002","15.9819","0.0003","90","","90","","90","","4298.12","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C184 H224 N16 O48 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0292","0.0287","","0.0806","0.0799","0.0806","","","","","","1.0153","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034419","9.0534","0.0001","11.9701","0.0002","22.0969","0.0003","90","","90","","90","","2394.64","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0329","0.0313","","0.0821","0.0805","0.0821","","","","","","0.9952","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034421","7.1712","0.0008","8.3963","0.0009","29.02","0.003","90","","90","","90","","1747.3","0.3","128","2","128","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 1","","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C72 H64 O24 S8 -","8","2","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0486","0.0398","","","0.106","0.1136","","","","","","1.08","","","","has coordinates","222948","2020-10-21","18:00:00",""
"4034422","8.383","0.007","9.251","0.008","13.884","0.013","90.71","0.03","107.221","0.019","101.633","0.019","1004.3","1.5","102","2","102","2","","","","","","","","4","P -1","-P 1","2","C18H16O6S2","","","- C20 H22 O7 S3 -","- C20 H22 O7 S3 -","- C40 H44 O14 S6 -","2","1","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0811","0.0479","","","0.0966","0.1079","","","","","","1.123","","","","has coordinates","222949","2020-10-21","18:00:00",""
"4034423","8.5494","0.0004","10.8559","0.0005","9.9111","0.0005","90","","95.013","0.002","90","","916.34","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C9H7O2SBr","","","- C9 H7 Br O2 S -","- C9 H7 Br O2 S -","- C36 H28 Br4 O8 S4 -","4","1","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.024","0.0221","","","0.0569","0.0577","","","","","","1.073","","","","has coordinates","222950","2020-10-21","18:00:00",""
"4034424","18.3651","0.0007","11.6589","0.0004","17.9089","0.0007","90","","118.612","0.001","90","","3366.3","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Crystal-2","","","- C18 H16 O6 S2 -","- C18 H16 O6 S2 -","- C144 H128 O48 S16 -","8","2","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0486","0.0403","","","0.1079","0.1145","","","","","","1.036","","","","has coordinates","222951","2020-10-21","18:00:00",""
"4034425","14.1638","0.0003","14.8141","0.0003","7.77","0.0002","90","","90","","90","","1630.33","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H25 N O3 S -","- C15 H25 N O3 S -","- C60 H100 N4 O12 S4 -","4","1","","Kralt, Braden; Moreira, Ryan; Palmer, Michael; Taylor, Scott D.","Total Synthesis of A54145 Factor D.","The Journal of organic chemistry","2019","84","18","12021","12030","10.1021/acs.joc.9b01938","","","0.71073","MoKα","","0.0334","0.0306","","","0.0769","0.0785","","","","","","1.215","","","","has coordinates","222952","2020-10-21","18:00:00",""
"4034426","32.134","0.004","10.0646","0.0011","17.425","0.002","90","","122.84","","90","","4734.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N2 O -","- C31 H30 N2 O -","- C248 H240 N16 O8 -","8","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thirumoorthy, Krishnan; Natesan Sundaramurthy, Karthikeyan; Sathiyanarayanan, Kulathu Iyer","(Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)phenol as a Fluorescent Probe for the Detection of Aniline.","The Journal of organic chemistry","2019","84","18","11513","11523","10.1021/acs.joc.9b00709","","","0.71073","MoKα","","0.1356","0.0462","","","0.1034","0.145","","","","","","0.85","","","","has coordinates","222953","2020-10-21","18:00:00",""
"4034427","10.06","0.005","12.876","0.005","15.353","0.005","90","0.005","101.971","0.005","90","0.005","1945.5","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thirumoorthy, Krishnan; Natesan Sundaramurthy, Karthikeyan; Sathiyanarayanan, Kulathu Iyer","(Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)phenol as a Fluorescent Probe for the Detection of Aniline.","The Journal of organic chemistry","2019","84","18","11513","11523","10.1021/acs.joc.9b00709","","","0.71073","MoKα","","0.0944","0.0511","","","0.1314","0.1608","","","","","","0.961","","","","has coordinates","222954","2020-10-21","18:00:00",""
"4034428","9.5058","0.0007","9.7689","0.0006","10.3324","0.0006","98.427","0.005","105.26","0.006","99.585","0.006","894.26","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C38 H38 N2 O12 S2 -","2","1","","Chen, Shuqi; Yao, Yongqi; Yang, Wen; Lin, Qifu; Wang, Lin; Li, Huanyong; Chen, Donghan; Tan, Yun; Yang, Dingqiao","Three-Component Cycloaddition To Synthesize Aziridines and 1,2,3-Triazolines.","The Journal of organic chemistry","2019","84","18","11863","11872","10.1021/acs.joc.9b01713","","x-ray","1.54184","CuKα","","0.0404","0.0375","","","0.1023","0.1057","","","","","","1.0869","","","","has coordinates","222955","2020-10-21","18:00:00",""
"4034429","9.2602","0.0009","9.6004","0.0009","11.0248","0.0008","67.889","0.008","81.813","0.008","89.11","0.008","898.01","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C38 H38 N2 O12 S2 -","2","1","","Chen, Shuqi; Yao, Yongqi; Yang, Wen; Lin, Qifu; Wang, Lin; Li, Huanyong; Chen, Donghan; Tan, Yun; Yang, Dingqiao","Three-Component Cycloaddition To Synthesize Aziridines and 1,2,3-Triazolines.","The Journal of organic chemistry","2019","84","18","11863","11872","10.1021/acs.joc.9b01713","","x-ray","0.71073","MoKα","","0.0739","0.0519","","","0.1177","0.1378","","","","","","1.0707","","","","has coordinates","222956","2020-10-21","18:00:00",""
"4034430","10.66","0.0012","8.2642","0.0009","16.2137","0.0017","90","","96.03","0.003","90","","1420.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.046","0.0389","","","0.0986","0.103","","","","","","1.073","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034431","8.203","0.002","21.807","0.007","10.328","0.003","90","","105.567","0.011","90","","1779.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C92 H80 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1267","0.0663","","","0.1506","0.1826","","","","","","1.031","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034432","20.246","0.002","4.8365","0.0005","31.055","0.003","90","","90.496","0.003","90","","3040.8","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 O4 -","- C17 H14 Cl2 O4 -","- C136 H112 Cl16 O32 -","8","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0348","0.0304","","","0.0714","0.0738","","","","","","1.052","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034433","11.8572","0.0004","21.4415","0.0007","7.3083","0.0003","90","","107.84","0.002","90","","1768.69","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0457","0.0359","","","0.0864","0.0916","","","","","","1.047","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034434","12.6139","0.0009","14.2691","0.001","9.0436","0.0007","90","","104.041","0.001","90","","1579.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1402","0.0433","","","0.0906","0.1211","","","","","","0.958","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034435","8.2452","0.0003","7.9051","0.0003","27.3274","0.001","90","","90.186","0.001","90","","1781.17","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0444","0.0354","","","0.0871","0.0924","","","","","","1.032","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034436","9.7914","0.0003","11.0553","0.0004","14.4153","0.0005","90","","105.144","0.001","90","","1506.22","0.09","99","2","99","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0386","0.0336","","","0.0864","0.09","","","","","","1.056","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034437","16.044","0.0014","11.1195","0.0009","10.6719","0.0008","90","","93.585","0.003","90","","1900.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0585","0.0431","","","0.097","0.1043","","","","","","1.034","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034438","11.4341","0.0007","12.3823","0.0008","13.3138","0.0007","78.593","0.003","84.868","0.003","87.793","0.003","1839.91","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","2","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0641","0.0556","","","0.1585","0.1691","","","","","","1.068","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034439","16.1741","0.0016","8.5137","0.0008","28.773","0.003","90","","97.242","0.003","90","","3930.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 O10 -","- C46 H52 O10 -","- C184 H208 O40 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1227","0.0635","","","0.127","0.1502","","","","","","1.036","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034440","11.3081","0.0003","10.6674","0.0003","13.9179","0.0004","90","","101.426","0.003","90","","1645.62","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-benzyl-3-vinyl-1,4-diazaspiro[5.5]undecane-2,5-dione","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","2","","Faltracco, Matteo; Cotogno, Silvia; Vande Velde, Christophe M. L.; Ruijter, Eelco","Catalytic Asymmetric Synthesis of Diketopiperazines by Intramolecular Tsuji-Trost Allylation.","The Journal of organic chemistry","2019","84","18","12058","12070","10.1021/acs.joc.9b01994","","x-ray","1.54184","CuKα","","0.064","0.0478","","","0.1064","0.118","","","","","","1.015","","","","has coordinates","222958","2020-10-21","18:00:00",""
"4034441","15.48","0.005","11.486","0.004","23.094","0.008","90","","90","","90","","4106","2","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C200 H144 F24 N24 O8 -","8","1","","Li, Kun; Chen, Li; Fan, Yun-Xiang; Wei, Yao; Yan, Sheng-Jiao","Multicomponent Tether Catalysis Synthesis of Highly Functionalized 4-(Pyridin-2-ylmethyl)-2-aminopyrroles via Cascade Reaction Is Accompanied by Decarboxylation.","The Journal of organic chemistry","2019","84","18","11971","11982","10.1021/acs.joc.9b01814","","","0.71073","MoKα","","0.203","0.0657","","","0.1057","0.1532","","","","","","0.997","","","","has coordinates,has disorder","222959","2020-10-21","18:00:00",""
"4034442","12.4847","0.0006","7.9336","0.0004","13.1642","0.0006","90","","115.119","0.002","90","","1180.58","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 O2 S -","- C12 H9 Cl N2 O2 S -","- C48 H36 Cl4 N8 O8 S4 -","4","1","","Padmaja, Ramsingh Dhanbahadur; Balamurali, Musuvathi Motilal; Chanda, Kaushik","One-Pot, Telescopic Approach for the Chemoselective Synthesis of Substituted Benzo[<i>e</i>]pyrido/pyrazino/pyridazino[1,2-<i>b</i>][1,2,4]thiadiazine dioxides and Their Significance in Biological Systems †.","The Journal of organic chemistry","2019","84","18","11382","11390","10.1021/acs.joc.9b00869","","","0.71073","MoKα","","0.0439","0.0389","","","0.1055","0.1108","","","","","","1.104","","","","has coordinates","222960","2020-10-21","18:00:00",""
"4034443","31.797","0.0017","11.539","0.001","19.088","0.0018","90","","94.402","0.008","90","","6982.8","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C320 H448 O24 -","4","1","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0585","0.0535","","","0.1418","0.146","","","","","","1.017","","","","has coordinates,has disorder","222961","2020-10-21","18:00:00",""
"4034444","13.341","0.006","16.117","0.004","17.567","0.006","90","","108.21","0.02","90","","3588","2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C160 H224 O12 -","2","0.5","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0642","0.05","","","0.1314","0.1427","","","","","","1.049","","","","has coordinates","222962","2020-10-21","18:00:00",""
"4034445","8.2196","0.0004","10.7227","0.0006","11.3119","0.0005","66.681","0.005","87.343","0.004","71.985","0.005","867.36","0.09","129.99","","129.99","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","1.54184","CuKα","","0.0517","0.0423","","","0.1088","0.1132","","","","","","1.0553","","","","has coordinates","222963","2020-10-21","18:00:00",""
"4034446","10.6738","0.0009","6.1061","0.0004","27.463","0.003","90","","95.812","0.008","90","","1780.7","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","0.71073","MoKα","","0.0627","0.0465","","","0.0941","0.1017","","","","","","1.051","","","","has coordinates","222964","2020-10-21","18:00:00",""
"4034447","12.6492","0.0004","8.7038","0.0004","14.8276","0.0007","90","","104.369","0.004","90","","1581.39","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","1.54184","CuKα","","0.0479","0.0405","","","0.1077","0.1144","","","","","","1.0359","","","","has coordinates","222965","2020-10-21","18:00:00",""
"4034448","12.4419","0.0003","5.90535","0.00012","15.1818","0.0011","90","","100.222","0.007","90","","1097.76","0.09","93.1","","93.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 O3 -","- C12 H9 F3 O3 -","- C48 H36 F12 O12 -","4","1","","Zhang, Tianyuan; Shimizu, Yuhei; Fukaya, Shuhei; Sawa, Tomofumi; Maekawa, Hirofumi","Construction of a CF<sub>3</sub>-Containing Benzofurofuranone Skeleton from Coumarins via Reductive Coupling and Acid-Mediated Ring Contraction.","The Journal of organic chemistry","2019","84","18","12165","12171","10.1021/acs.joc.9b01439","","","1.54187","CuKα","","","0.0466","","","","0.1321","","","","","","1.068","","","","has coordinates","222966","2020-10-21","18:00:00",""
"4034449","5.6471","0.0002","14.5583","0.0004","13.5116","0.0004","90","","98.2257","0.0007","90","","1099.39","0.06","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br N3 O2 -","- C25 H26 Br N3 O2 -","- C50 H52 Br2 N6 O4 -","2","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0305","0.0303","","","0.0801","0.0805","","","","","","1.058","","","","has coordinates","222967","2020-10-21","18:00:00",""
"4034450","8.8126","0.0002","14.1981","0.0003","18.1609","0.0004","90","","90","","90","","2272.33","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0307","0.0297","","","0.0782","0.0792","","","","","","1.031","","","","has coordinates,has disorder","222968","2020-10-21","18:00:00",""
"4034451","7.7296","0.0005","9.4178","0.0006","11.3595","0.0007","95.41","0.004","107.142","0.004","108.192","0.004","734.72","0.09","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","","0.71073","MoKα","","0.0871","0.0544","","","0.1591","0.182","","","","","","1.054","","","","has coordinates","222969","2020-10-21","18:00:00",""
"4034452","8.9313","0.0018","9.6546","0.0017","13.094","0.002","90","","96.289","0.018","90","","1122.3","0.3","197","130","197","130","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.1169","0.0833","","","0.2027","0.248","","","","","","1.158","","","","has coordinates","222970","2020-10-21","18:00:00",""
"4034453","7.0898","0.0004","9.8867","0.0004","14.0714","0.0007","90","","99.057","0.005","90","","974.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0784","0.0599","","","0.15","0.1597","","","","","","1.139","","","","has coordinates","222971","2020-10-21","18:00:00",""
"4034454","7.1948","0.0003","13.3348","0.0005","9.1745","0.0003","90","","107.609","0.004","90","","838.97","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 -","- C10 H5 N5 -","- C40 H20 N20 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.134","0.1397","","","","","","1.116","","","","has coordinates","222972","2020-10-21","18:00:00",""
"4034455","8.8591","0.0004","12.2957","0.0004","9.3813","0.0004","90","","104.579","0.005","90","","988.99","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0489","0.0433","","","0.1198","0.1246","","","","","","1.137","","","","has coordinates","222973","2020-10-21","18:00:00",""
"4034456","6.7285","0.0017","6.8933","0.0014","9.436","0.0016","96.507","0.016","104.492","0.019","98.12","0.019","414.41","0.16","114","20","114","20","","","","","","","","3","P -1","-P 1","2","","","","- C10 H7 N3 -","- C10 H7 N3 -","- C20 H14 N6 -","2","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.1049","0.0812","","","0.2168","0.2483","","","","","","1.069","","","","has coordinates","222974","2020-10-21","18:00:00",""
"4034457","17.0502","0.0008","12.2438","0.0006","16.2974","0.0008","90","","116.408","0.002","90","","3047.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Cl N2 Pd -","- C34 H41 Cl N2 Pd -","- C136 H164 Cl4 N8 Pd4 -","4","1","","Reeves, Emily K.; Humke, Jenna N.; Neufeldt, Sharon R.","N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling.","The Journal of organic chemistry","2019","84","18","11799","11812","10.1021/acs.joc.9b01692","","x-ray","0.71073","MoKα","","0.0415","0.0281","","","0.0636","0.0686","","","","","","1.06","","","","has coordinates","222975","2020-10-21","18:00:00",""
"4034458","15.3184","0.0012","16.1014","0.0011","17.6466","0.0013","90","","105.951","0.003","90","","4184.9","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 Cl N2 Pd -","- C40 H53 Cl N2 Pd -","- C160 H212 Cl4 N8 Pd4 -","4","1","","Reeves, Emily K.; Humke, Jenna N.; Neufeldt, Sharon R.","N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling.","The Journal of organic chemistry","2019","84","18","11799","11812","10.1021/acs.joc.9b01692","","x-ray","0.71073","MoKα","","0.0399","0.0272","","","0.0647","0.0707","","","","","","1.038","","","","has coordinates","222976","2020-10-21","18:00:00",""
"4034459","11.1195","0.0006","18.96","0.0009","19.2929","0.001","117.806","0.003","90.313","0.003","91.209","0.003","3596.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H18 F3 N3 O -","- C23 H18 F3 N3 O -","- C161 H126 F21 N21 O7 -","7","7","","Kriegelstein, Michal; Profous, David; Lyčka, Antonín; Trávníček, Zdeněk; Přibylka, Adam; Volná, Tereza; Benická, Sandra; Cankař, Petr","Axially Chiral Trifluoromethylbenzimidazolylbenzoic Acid: A Chiral Derivatizing Agent for α-Chiral Primary Amines and Secondary Alcohols To Determine the Absolute Configuration.","The Journal of organic chemistry","2019","84","18","11911","11921","10.1021/acs.joc.9b01770","","","0.71073","MoKα","","0.1416","0.0651","","","0.0952","0.111","","","","","","0.951","","","","has coordinates,has disorder","222977","2020-10-21","18:00:00",""
"4034460","8.5425","0.0017","11.979","0.002","17.812","0.004","90","","90","","90","","1822.7","0.6","163","2","163.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br F N2 O2 -","- C22 H16 Br F N2 O2 -","- C88 H64 Br4 F4 N8 O8 -","4","1","","Li, Bing-Yu; Lin, Ye; Du, Da-Ming","Organocatalytic Asymmetric Mannich Addition of 3-Fluorooxindoles to Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepines: Highly Enantioselective Construction of Tetrasubstituted C-F Stereocenters.","The Journal of organic chemistry","2019","84","18","11752","11762","10.1021/acs.joc.9b01507","","","0.71073","MoKα","","0.0457","0.043","","","0.0948","0.0967","","","","","","1.06","","","","has coordinates","222978","2020-10-21","18:00:00",""
"4034461","19.343","0.003","9.986","0.0009","12.0587","0.0013","90","","108.317","0.008","90","","2211.2","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.1159","0.0539","","","0.1394","0.1732","","","","","","1.034","","","","has coordinates","222979","2020-10-21","18:00:00",""
"4034462","16.9833","0.0006","6.3684","0.0003","19.2501","0.0005","90","","90","","90","","2082.02","0.13","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.0444","0.035","","","0.0918","0.0975","","","","","","1.048","","","","has coordinates","222980","2020-10-21","18:00:00",""
"4034463","7.8798","0.0007","11.5501","0.0008","21.2513","0.0019","90","","100.393","0.008","90","","1902.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","","Wang, Qian; Osipyan, Angelina; Konstantinidou, Markella; Butera, Roberto; Mgimpatsang, Kumchok C.; Shishkina, Svitlana V.; Dömling, Alexander","Pd-Catalyzed de Novo Assembly of Diversely Substituted Indole-Fused Polyheterocycles.","The Journal of organic chemistry","2019","84","18","12148","12156","10.1021/acs.joc.9b01258","","","0.71073","MoKα","","0.1459","0.0642","","","0.157","0.1954","","","","","","0.87","","","","has coordinates","222981","2020-10-21","18:00:00",""
"4034464","12.5401","0.0015","11.523","0.0017","13.5777","0.0018","90","","96.662","0.01","90","","1948.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl N3 O2 -","- C21 H20 Cl N3 O2 -","- C84 H80 Cl4 N12 O8 -","4","1","","Wang, Qian; Osipyan, Angelina; Konstantinidou, Markella; Butera, Roberto; Mgimpatsang, Kumchok C.; Shishkina, Svitlana V.; Dömling, Alexander","Pd-Catalyzed de Novo Assembly of Diversely Substituted Indole-Fused Polyheterocycles.","The Journal of organic chemistry","2019","84","18","12148","12156","10.1021/acs.joc.9b01258","","","0.71073","MoKα","","0.1518","0.0647","","","0.1465","0.1823","","","","","","0.872","","","","has coordinates","222982","2020-10-21","18:00:00",""
"4034465","9.4352","0.001","8.4152","0.0009","14.7368","0.0017","90","","97.276","0.011","90","","1160.7","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","","Martin, Daniel J.; Mercado, Brandon Q.; Mayer, James M.","Synthesis and Prior Misidentification of 4-<i>tert</i>-Butyl-2,6-dinitrobenzaldehyde.","The Journal of organic chemistry","2019","84","18","12172","12176","10.1021/acs.joc.9b01737","","","0.71073","MoKα","","0.0629","0.0532","","","0.1443","0.1497","","","","","","1.03","","","","has coordinates","222983","2020-10-21","18:00:00",""
"4034466","18.7889","0.0011","10.5423","0.0006","11.6936","0.0007","90","","91.857","0.005","90","","2315","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C88 H96 N16 O40 -","8","2","","Martin, Daniel J.; Mercado, Brandon Q.; Mayer, James M.","Synthesis and Prior Misidentification of 4-<i>tert</i>-Butyl-2,6-dinitrobenzaldehyde.","The Journal of organic chemistry","2019","84","18","12172","12176","10.1021/acs.joc.9b01737","","","0.71073","MoKα","","0.0724","0.0484","","","0.1078","0.1204","","","","","","1.045","","","","has coordinates","222984","2020-10-21","18:00:00",""
"4034467","12.8015","0.0001","8.1119","0.0001","15.1341","0.0001","90","","108.066","0.001","90","","1494.11","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","2","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0298","0.0287","","","0.0745","0.0754","","","","","","1.037","","","","has coordinates","222985","2020-10-21","18:00:00",""
"4034468","10.566","0.0002","17.6181","0.0004","17.1644","0.0004","90","","99.086","0.002","90","","3155.11","0.12","100","0.13","100","0.13","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0615","0.0579","","","0.164","0.1679","","","","","","1.052","","","","has coordinates,has disorder","222986","2020-10-21","18:00:00",""
"4034469","10.0534","0.0002","16.7674","0.0003","18.6721","0.0003","90","","90","","90","","3147.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O5 -","- C36 H35 N3 O5 -","- C144 H140 N12 O20 -","4","1","","Fan, Ying; Lu, Jian; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Cu(I)-Catalyzed Asymmetric Mannich Reaction of Glycine Schiff Bases to Ketimines.","The Journal of organic chemistry","2019","84","18","11639","11648","10.1021/acs.joc.9b01566","","","1.54178","CuKα","","0.0378","0.0354","","","0.0958","0.0986","","","","","","1.023","","","","has coordinates","222987","2020-10-21","18:00:00",""
"4034470","9.6255","0.0004","11.1263","0.0005","17.2047","0.0008","106.863","0.002","98.061","0.002","93.61","0.002","1735.43","0.14","170","2","170.01","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cl3 F N3 O5 S2 -","- C34 H31 Cl3 F N3 O5 S2 -","- C68 H62 Cl6 F2 N6 O10 S4 -","2","1","","Chen, Changwei; Cui, Sunliang","Iterative Assembly of Nitrile Oxides and Ynamides: Synthesis of Isoxazoles and Pyrroles.","The Journal of organic chemistry","2019","84","18","12157","12164","10.1021/acs.joc.9b01430","","","0.71073","MoKα","","0.0587","0.0493","","","0.1327","0.1402","","","","","","1.045","","","","has coordinates","222988","2020-10-21","18:00:00",""
"4034471","30.2123","0.0009","6.9861","0.0002","16.6208","0.0004","90","","97.425","0.001","90","","3478.67","0.17","170","2","169.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F3 N2 O3 S -","- C18 H15 F3 N2 O3 S -","- C144 H120 F24 N16 O24 S8 -","8","1","","Chen, Changwei; Cui, Sunliang","Iterative Assembly of Nitrile Oxides and Ynamides: Synthesis of Isoxazoles and Pyrroles.","The Journal of organic chemistry","2019","84","18","12157","12164","10.1021/acs.joc.9b01430","","","0.71073","MoKα","","0.0683","0.0509","","","0.1375","0.1538","","","","","","1.03","","","","has coordinates","222989","2020-10-21","18:00:00",""
"4034472","9.1946","0.0002","13.3206","0.0004","15.4255","0.0004","85.066","0.001","83.434","0.001","76.486","0.001","1821.48","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","2","","Liu, Zhongsu; Zhang, Wenjing; Guo, Shan; Zhu, Jin","Spiro[indene-1,4'-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3<i>H</i>)-ones with Alkynes: A Redox-Neutral Approach.","The Journal of organic chemistry","2019","84","18","11945","11957","10.1021/acs.joc.9b01804","","","1.54178","CuKα","","0.039","0.0357","","","0.0923","0.0945","","","","","","1.034","","","","has coordinates","222990","2020-10-21","18:00:00",""
"4034473","8.7578","0.0009","9.4458","0.0014","10.0094","0.0013","86.145","0.016","86.215","0.01","68.042","0.009","765.47","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Liu, Zhongsu; Zhang, Wenjing; Guo, Shan; Zhu, Jin","Spiro[indene-1,4'-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3<i>H</i>)-ones with Alkynes: A Redox-Neutral Approach.","The Journal of organic chemistry","2019","84","18","11945","11957","10.1021/acs.joc.9b01804","","","1.54178","CuKα","","0.0367","0.0354","","","0.0966","0.098","","","","","","1.044","","","","has coordinates","222991","2020-10-21","18:00:00",""
"4034474","12.0497","0.0017","14.261","0.002","15.114","0.002","90","","100.99","0.003","90","","2549.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 O4 S -","- C30 H32 O4 S -","- C120 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0544","0.0388","","","0.09","0.0985","","","","","","1.03","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034475","14.241","0.002","11.0536","0.0015","15.619","0.002","90","","96.543","0.004","90","","2442.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 F O4 S -","- C30 H25 F O4 S -","- C120 H100 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.1087","0.0676","","","0.1558","0.1785","","","","","","1.048","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034476","11.8975","0.0005","14.838","0.0007","14.1035","0.0007","90","","94.87","0.001","90","","2480.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O4 S -","- C29 H30 O4 S -","- C116 H120 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0525","0.0405","","","0.0982","0.106","","","","","","1.032","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034477","10.3709","0.0018","11.198","0.0017","12.307","0.002","112.885","0.006","92.332","0.007","106.31","0.006","1245.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 O5 S -","- C30 H32 O5 S -","- C60 H64 O10 S2 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0464","0.0366","","","0.0975","0.11","","","","","","1.123","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034478","14.6355","0.0018","8.323","0.001","17.421","0.002","90","","98.637","0.003","90","","2098","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C96 H84 N4 O24 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0519","0.0426","","","0.1076","0.1143","","","","","","1.025","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034479","11.9401","0.0005","11.1292","0.0005","17.5921","0.0007","90","","102.577","0.002","90","","2281.61","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O5 S -","- C25 H26 O5 S -","- C100 H104 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0642","0.0513","","","0.1444","0.1558","","","","","","1.039","","","","has coordinates,has disorder","222992","2020-10-21","18:00:00",""
"4034480","7.1922","0.0006","8.1888","0.0007","17.2964","0.0015","82.23","0.004","87.95","0.005","87.46","0.004","1007.88","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O2 S -","- C26 H22 O2 S -","- C52 H44 O4 S2 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0896","0.0491","","","0.1279","0.1604","","","","","","1.002","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034481","10.4333","0.0007","8.3721","0.0005","20.905","0.0012","90","","96.602","0.003","90","","1813.91","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br O2 S -","- C22 H19 Br O2 S -","- C88 H76 Br4 O8 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0277","0.0249","","","0.0598","0.0609","","","","","","1.043","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034482","17.258","0.003","11.1864","0.0019","17.603","0.003","90","","96.353","0.004","90","","3377.5","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O2 S2 -","- C20 H18 O2 S2 -","- C160 H144 O16 S16 -","8","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0713","0.0614","","","0.1243","0.1309","","","","","","1.098","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034483","10.2968","0.0004","20.9708","0.001","14.9988","0.0007","90","","98.936","0.002","90","","3199.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 O5 S -","- C37 H42 O5 S -","- C148 H168 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0603","0.0433","","","0.1035","0.1142","","","","","","1.027","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034484","14.5709","0.0016","8.0748","0.0008","18.602","0.002","90","","91.042","0.005","90","","2188.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O3 S -","- C28 H22 O3 S -","- C112 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0575","0.0413","","","0.1173","0.1514","","","","","","1.168","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034485","10.8179","0.001","10.4282","0.001","16.7152","0.0016","90","","90.935","0.003","90","","1885.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C88 H84 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0546","0.0382","","","0.0862","0.0943","","","","","","1.027","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034486","12.5407","0.0014","5.3966","0.0006","25.05","0.003","90","","93.281","0.003","90","","1692.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0542","0.0387","","","0.0895","0.097","","","","","","1.044","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034487","17.2366","0.0003","7.2333","0.0001","41.0092","0.0008","90","","95.052","0.002","90","","5093.06","0.15","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 S -","- C34 H32 S -","- C272 H256 S8 -","8","2","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0817","0.0736","","","0.193","0.1957","","","","","","1.007","","","","has coordinates","222993","2020-10-21","18:00:00",""
"4034488","14.4446","0.0002","16.2063","0.0002","21.8323","0.0003","90","","90","","90","","5110.8","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 O S -","- C34 H32 O S -","- C272 H256 O8 S8 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0688","0.0666","","","0.1624","0.1637","","","","","","1.058","","","","has coordinates,has disorder","222994","2020-10-21","18:00:00",""
"4034489","10.1994","0.0004","13.3386","0.0005","19.921","0.0007","90","","96.989","0.003","90","","2690.03","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 N -","- C36 H37 N -","- C144 H148 N4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0485","0.0446","","","0.1255","0.1299","","","","","","0.951","","","","has coordinates","222995","2020-10-21","18:00:00",""
"4034490","7.1863","0.0002","21.7963","0.0007","17.2689","0.0004","90","","101.827","0.002","90","","2647.49","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O2 S -","- C34 H32 O2 S -","- C136 H128 O8 S4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","0.71073","MoKα","","0.0645","0.0428","","","0.096","0.1044","","","","","","0.974","","","","has coordinates","222996","2020-10-21","18:00:00",""
"4034491","11.391","0.002","5.7875","0.0009","24.004","0.004","90","","93.919","0.014","90","","1578.8","0.5","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,3-triphenylpropan-1-one","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Alanthadka, Anitha; Bera, Sourajit; Banerjee, Debasis","Iron-Catalyzed Ligand Free α-Alkylation of Methylene Ketones and β-Alkylation of Secondary Alcohols Using Primary Alcohols.","The Journal of organic chemistry","2019","84","18","11676","11686","10.1021/acs.joc.9b01600","","","0.71073","MoKα","","0.1181","0.0544","","","0.1528","0.1873","","","","","","0.855","","","","has coordinates","222997","2020-10-21","18:00:00",""
"4034492","7.1925","0.0001","19.211","0.0005","20.7806","0.0005","90","","90","","90","","2871.36","0.11","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O5 S -","- C34 H30 N2 O5 S -","- C136 H120 N8 O20 S4 -","4","1","","He, Chonglong; Li, Zhanhuan; Xu, Jianfeng; Ren, Hongjun","Asymmetric Synthesis of Spirocyclic Oxindole δ-Lactams via NHC-Catalyzed Formal [2+4] Annulation of Aliphatic Aldehydes with Oxindole-Derived α,β-Unsaturated Ketimines.","The Journal of organic chemistry","2019","84","18","12177","12186","10.1021/acs.joc.9b01760","","","0.71073","MoKα","","0.0476","0.039","","","0.091","0.0979","","","","","","1.039","","","","has coordinates","222998","2020-10-21","18:00:00",""
"4034493","14.0384","0.00008","18.16861","0.00008","19.8336","0.00007","91.8589","0.0003","110.33","0.0004","98.7848","0.0004","4667.96","0.04","120.01","0.11","120.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C77 H82 Cl6 O6 S24 -","- C77 H82 Cl6 O6 S24 -","- C154 H164 Cl12 O12 S48 -","2","1","","Li, Yingchun; Zhai, Weixiang; Liao, Yongfang; Nie, Jiangping; Han, Guifang; Song, Yuguang; Li, Shaoyong; Hou, Jingli; Liu, Yangping","Synthesis of Central Chirality-Containing Triarylmethanols and Triarylmethyl Radicals with Extraordinarily Stable Configurations.","The Journal of organic chemistry","2019","84","18","11774","11782","10.1021/acs.joc.9b01675","","x-ray","1.54184","CuKα","","0.0474","0.0461","","","0.1176","0.1184","","","","","","1.036","","","","has coordinates","222999","2020-10-21","18:00:00",""
"4034494","11.186","0.0008","11.4071","0.0001","13.4875","0.0011","66.629","0.013","86.938","0.018","62.124","0.011","1377.9","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O2 S4 -","- C12 H14 O2 S4 -","- C48 H56 O8 S16 -","4","2","","Li, Yingchun; Zhai, Weixiang; Liao, Yongfang; Nie, Jiangping; Han, Guifang; Song, Yuguang; Li, Shaoyong; Hou, Jingli; Liu, Yangping","Synthesis of Central Chirality-Containing Triarylmethanols and Triarylmethyl Radicals with Extraordinarily Stable Configurations.","The Journal of organic chemistry","2019","84","18","11774","11782","10.1021/acs.joc.9b01675","","","0.71073","MoKα","","0.0214","0.0198","","","0.0553","0.056","","","","","","1.05","","","","has coordinates","223000","2020-10-21","18:00:00",""
"4034495","11.0192","0.0002","10.5869","0.0002","17.8709","0.0004","90","","100.006","0.0009","90","","2053.09","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl N O3 -","- C23 H22 Cl N O3 -","- C92 H88 Cl4 N4 O12 -","4","1","","Kadiyala, Veerabhushanam; Bharath Kumar, Perla; Balasubramanian, Sridhar; Karunakar, Galla V.","Gold-Catalyzed Synthesis of 6-Hydroxyindoles from Alkynylcyclohexadienones and Substituted Amines.","The Journal of organic chemistry","2019","84","18","12228","12236","10.1021/acs.joc.9b02023","","","0.71073","MoKα","","0.0857","0.056","","","0.1317","0.1491","","","","","","1.032","","","","has coordinates,has disorder","223001","2020-10-21","18:00:00",""
"4034496","9.888","0.0018","11.0785","0.0016","11.369","0.002","62.976","0.016","83.635","0.015","76.644","0.014","1079.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C54 H58 N6 -","2","1","","An, Xiao-De; Duan, Kang; Li, Xian-Jiang; Yang, Jian-Ming; Lu, Yong-Na; Liu, Qing; Xiao, Jian","Synthesis of Tetrahydro[1,3,4]triazepines via Redox-Neutral α-C(sp<sup>3</sup>)-H Amination of Cyclic Amines.","The Journal of organic chemistry","2019","84","18","11839","11847","10.1021/acs.joc.9b01703","","","1.54184","CuKα","","0.0697","0.0501","","","0.1275","0.145","","","","","","1.025","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034497","9.3516","0.0008","13.4322","0.0012","16.9369","0.0013","90","","92.215","0.008","90","","2125.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N3 -","- C23 H23 N3 -","- C92 H92 N12 -","4","1","","An, Xiao-De; Duan, Kang; Li, Xian-Jiang; Yang, Jian-Ming; Lu, Yong-Na; Liu, Qing; Xiao, Jian","Synthesis of Tetrahydro[1,3,4]triazepines via Redox-Neutral α-C(sp<sup>3</sup>)-H Amination of Cyclic Amines.","The Journal of organic chemistry","2019","84","18","11839","11847","10.1021/acs.joc.9b01703","","","1.54184","CuKα","","0.097","0.0537","","","0.166","0.2399","","","","","","0.716","","","","has coordinates","223003","2020-10-21","18:00:00",""
"4034498","10.434","0.0006","14.33","0.0008","13.3476","0.0007","90","","102.277","0.002","90","","1950.08","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N O P -","- C24 H22 N O P -","- C96 H88 N4 O4 P4 -","4","2","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0567","0.0367","","","0.0686","0.0748","","","","","","1.005","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034499","11.4607","0.0002","11.4607","0.0002","12.8304","0.0003","90","","90","","90","","1685.24","0.06","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H18 N O P S -","- C18 H18 N O P S -","- C72 H72 N4 O4 P4 S4 -","4","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","1.54178","CuKα","","0.0284","0.0263","","","0.0661","0.0676","","","","","","1.044","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034500","8.0431","0.0005","10.1175","0.0006","8.8692","0.0006","90","","105.061","0.002","90","","696.95","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0359","0.0303","","","0.0656","0.0683","","","","","","1.056","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034501","7.362","0.002","8.473","0.003","18.02","0.007","101.258","0.012","98.436","0.01","91.151","0.011","1089.1","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C48 H50 N2 O14 -","2","1","","Kumar, Virendra; Awasthi, Annapurna; Metya, Abhisek; Khan, Tabrez","A Metal-Free Domino Process for Regioselective Synthesis of 1,2,4-Trisubstituted Pyrroles: Application toward the Formal Synthesis of Ningalin B.","The Journal of organic chemistry","2019","84","18","11581","11595","10.1021/acs.joc.9b01520","","","0.71073","MoKα","","0.2543","0.0745","","","0.1491","0.2246","","","","","","0.98","","","","has coordinates","223006","2020-10-21","18:00:00",""
"4034502","9.736","0.004","11.089","0.004","15.026","0.006","85.979","0.018","88.879","0.019","88.814","0.017","1617.6","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Kumar, Virendra; Awasthi, Annapurna; Metya, Abhisek; Khan, Tabrez","A Metal-Free Domino Process for Regioselective Synthesis of 1,2,4-Trisubstituted Pyrroles: Application toward the Formal Synthesis of Ningalin B.","The Journal of organic chemistry","2019","84","18","11581","11595","10.1021/acs.joc.9b01520","","","0.71073","MoKα","","0.108","0.0657","","","0.1631","0.1932","","","","","","1.026","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034503","27.438","0.005","8.466","0.0016","9.7512","0.0019","90","","90","","90","","2265.1","0.7","296.15","0.1","296.15","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","Liu, Xing; Dong, Zhi-Bing","Chemoselective Chan-Lam Coupling Reactions between Benzimidazoline-2-thiones and Arylboronic Acids.","The Journal of organic chemistry","2019","84","18","11524","11532","10.1021/acs.joc.9b01370","","","0.71073","MoKα","","0.0637","0.0483","","","0.1004","0.1117","","","","","","1.141","","","","has coordinates","223008","2020-10-21","18:00:00",""
"4034504","51.068","0.002","10.701","0.0004","20.7984","0.0009","90","","109.478","0.0016","90","","10715.4","0.8","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C432 H608 O32 S16 -","8","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0734","0.0617","","0.1813","0.1711","0.1813","","","","","","0.9313","","","","has coordinates,has disorder","223009","2020-10-21","18:00:00",""
"4034505","9.3862","0.0003","14.2171","0.0005","19.5174","0.0007","100.48","0.001","99.0902","0.001","93.0281","0.001","2519.94","0.15","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C108 H152 O8 S4 -","2","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0387","0.0383","","0.0976","0.0975","0.0976","","","","","","0.9497","","","","has coordinates","223010","2020-10-21","18:00:00",""
"4034506","13.0211","0.0004","13.0211","0.0004","25.5008","0.0007","90","","90","","120","","3744.38","0.19","180","","180","","","","101","","","","","4","P 32 2 1","P 32 2""","154","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C162 H228 O12 S6 -","3","0.5","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0457","0.0456","","0.1085","0.1084","0.1085","","","","","","0.8768","","","","has coordinates,has disorder","223011","2020-10-21","18:00:00",""
"4034507","13.8672","0.0004","13.8672","0.0004","24.9165","0.0007","90","","90","","120","","4149.5","0.2","180","","180","","","","","","","","","4","P 32","P 32","145","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C174 H252 O12 S6 -","3","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0808","0.074","","0.211","0.2005","0.211","","","","","","1.0303","","","","has coordinates,has disorder","223012","2020-10-21","18:00:00",""
"4034508","10.0198","0.0003","40.3929","0.0011","13.8991","0.0004","90","","100.855","0.001","90","","5524.7","0.3","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C232 H336 O16 S8 -","4","2","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0734","0.0707","","0.196","0.1941","0.196","","","","","","0.9405","","","","has coordinates,has disorder","223013","2020-10-21","18:00:00",""
"4034509","10.4974","0.0004","13.0623","0.0005","19.5386","0.0007","108.273","0.0012","93.3489","0.0012","96.5858","0.0013","2514.57","0.16","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C54 H76 O4 S2 -","- C54.0032 H76.0094 O4 S2.0002 -","- C108.006 H152.019 O8 S4.0004 -","2","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0462","0.045","","0.1156","0.1151","0.1156","","","","","","0.9554","","","","has coordinates,has disorder","223014","2020-10-21","18:00:00",""
"4034510","10.1236","0.0003","22.2391","0.0007","10.781","0.0003","90","","107.328","0.0009","90","","2317.07","0.12","180","","180","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 O4 S2 -","- C50 H68 O4 S2 -","- C100 H136 O8 S4 -","2","0.5","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0352","0.0348","","0.089","0.0889","0.089","","","","","","0.9291","","","","has coordinates,has disorder","223015","2020-10-21","18:00:00",""
"4034511","7.9383","0.0011","9.6261","0.0013","12.0805","0.0017","82.961","0.002","75.096","0.002","69.699","0.002","836.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C42 H30 Br2 O4 -","2","1","","He, Xinwei; Xie, Mengqing; Tang, Qiang; Zuo, Youpeng; Li, Ruxue; Shang, Yongjia","Catalyst-Free Synthesis of 2,3-Dihydrobenzofurans via a Formal [4+1] Annulation of Propargylamines with Sulfur Ylides.","The Journal of organic chemistry","2019","84","18","11623","11638","10.1021/acs.joc.9b01557","","","0.71073","MoKα","","0.0718","0.0534","","","0.1218","0.1309","","","","","","1.092","","","","has coordinates","223016","2020-10-21","18:00:00",""
"4034512","12.0583","0.0011","7.508","0.0007","20.4002","0.0017","90","","96.629","0.003","90","","1834.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","He, Xinwei; Xie, Mengqing; Tang, Qiang; Zuo, Youpeng; Li, Ruxue; Shang, Yongjia","Catalyst-Free Synthesis of 2,3-Dihydrobenzofurans via a Formal [4+1] Annulation of Propargylamines with Sulfur Ylides.","The Journal of organic chemistry","2019","84","18","11623","11638","10.1021/acs.joc.9b01557","","","0.71073","MoKα","","0.0693","0.0626","","","0.1823","0.1894","","","","","","1.026","","","","has coordinates","223017","2020-10-21","18:00:00",""
"4034513","7.9839","0.0004","9.8531","0.0004","15.2245","0.0007","72.988","0.004","89.602","0.004","80.801","0.004","1129.51","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","1","0.5","","Kazim, Muhammad; Foy, Hayden; Siegler, Maxime A.; Dudding, Travis; Lectka, Thomas","Discovery and Mechanistic Study of a Totally Organic C<sub>(aryl)</sub>-C<sub>(alkyl)</sub>Oxygen Insertion Reaction.","The Journal of organic chemistry","2019","84","21","14349","14353","10.1021/acs.joc.9b02238","","","0.71073","MoKα","","0.0636","0.0479","","","0.1066","0.1158","","","","","","1.039","","","","has coordinates,has disorder","223018","2020-10-21","18:00:00",""
"4034514","8.0663","0.0005","12.7882","0.0006","13.3392","0.0011","102.324","0.005","103.153","0.006","102.371","0.004","1258.07","0.15","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O5 -","- C29 H20 O5 -","- C58 H40 O10 -","2","1","","Kazim, Muhammad; Foy, Hayden; Siegler, Maxime A.; Dudding, Travis; Lectka, Thomas","Discovery and Mechanistic Study of a Totally Organic C<sub>(aryl)</sub>-C<sub>(alkyl)</sub>Oxygen Insertion Reaction.","The Journal of organic chemistry","2019","84","21","14349","14353","10.1021/acs.joc.9b02238","","","1.54178","CuKα","","0.0783","0.0658","","","0.175","0.1833","","","","","","1.059","","","","has coordinates","223019","2020-10-21","18:00:00",""
"4034515","13.0658","0.0008","12.6324","0.0007","18.3843","0.0011","90","","107.83","0.007","90","","2888.6","0.3","295.1","0.18","295.1","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 F3 N2 O8 -","- C29 H31 F3 N2 O8 -","- C116 H124 F12 N8 O32 -","4","1","","Yang, Xie-Chao; Liu, Jin-Yu; Liu, Zhen; Hu, Xiu-Qin; Xu, Peng-Fei","Quaternary Carbon Center Forming [3 + 2] Cyclization Reaction by Adjusting the Substituents of Substrates.","The Journal of organic chemistry","2019","84","21","13871","13880","10.1021/acs.joc.9b02041","","","0.71073","MoKα","","0.1029","0.0623","","","0.1468","0.1807","","","","","","1.01","","","","has coordinates","223020","2020-10-21","18:00:00",""
"4034516","13.4214","0.0012","11.7864","0.0011","17.4141","0.0015","90","","92.874","0.002","90","","2751.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br F O3 S -","- C29 H28 Br F O3 S -","- C116 H112 Br4 F4 O12 S4 -","4","1","","Shi, Hao-Nan; Huang, Min-Hua; He, Chun-Lan; Lu, Hai-Ping; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Completely Stereoselective Synthesis of Sulfonated 1,3-Dihydroisobenzofurans via Radical Multicomponent Reactions.","The Journal of organic chemistry","2019","84","21","13686","13695","10.1021/acs.joc.9b01918","","","0.71073","MoKα","","0.1534","0.0618","","","0.1406","0.159","","","","","","1.065","","","","has coordinates,has disorder","223021","2020-10-21","18:00:00",""
"4034517","8.923","0.0007","10.5859","0.0009","14.8151","0.0012","75.045","0.001","78.478","0.001","89.563","0.002","1323.33","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 F2 N2 O3 S -","- C30 H22 F2 N2 O3 S -","- C60 H44 F4 N4 O6 S2 -","2","1","","Shi, Hao-Nan; Huang, Min-Hua; He, Chun-Lan; Lu, Hai-Ping; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Completely Stereoselective Synthesis of Sulfonated 1,3-Dihydroisobenzofurans via Radical Multicomponent Reactions.","The Journal of organic chemistry","2019","84","21","13686","13695","10.1021/acs.joc.9b01918","","","0.71073","MoKα","","0.1719","0.0708","","","0.0766","0.091","","","","","","0.963","","","","has coordinates","223022","2020-10-21","18:00:00",""
"4034518","7.468","0.003","10.606","0.006","12.627","0.004","90","","90","","90","","1000.1","0.8","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 Cl N O -","- C9 H16 Cl N O -","- C36 H64 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0838","0.0405","","","0.0841","0.1005","","","","","","1.061","","","","has coordinates","223023","2020-10-21","18:00:00",""
"4034519","7.1176","0.001","15.208","0.002","10.1283","0.0014","90","","91.197","0.004","90","","1096.1","0.3","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O2 -","- C8 H18 Cl2 N2 O2 -","- C32 H72 Cl8 N8 O8 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0383","0.0304","","","0.0752","0.0782","","","","","","1.063","","","","has coordinates","223024","2020-10-21","18:00:00",""
"4034520","6.9635","0.0002","6.8977","0.0002","14.8768","0.0004","90","","95.7031","0.0018","90","","711.03","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl N O -","- C6 H12 Cl N O -","- C24 H48 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0515","0.0392","","","0.0889","0.0932","","","","","","1.087","","","","has coordinates","223025","2020-10-21","18:00:00",""
"4034521","13.372","0.003","5.9409","0.0015","12.492","0.003","90","","116.478","0.005","90","","888.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl N O -","- C8 H14 Cl N O -","- C32 H56 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0467","0.0359","","","0.0877","0.0936","","","","","","1.036","","","","has coordinates","223026","2020-10-21","18:00:00",""
"4034522","24.981","0.005","7.1333","0.0013","12.15","0.002","90","","90","","90","","2165.1","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 Cl N O -","- C10 H18 Cl N O -","- C80 H144 Cl8 N8 O8 -","8","2","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.1006","0.0677","","","0.1717","0.1958","","","","","","1.051","","","","has coordinates","223027","2020-10-21","18:00:00",""
"4034523","8.521","0.002","5.6665","0.0013","32.043","0.009","90","","90","","90","","1547.2","0.7","220","","220","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 F O2 S -","- C19 H15 F O2 S -","- C76 H60 F4 O8 S4 -","4","1","","Ni, Jiabin; Nishonov, Bekzod; Pardaev, Azizbek; Zhang, Ao","Palladium-Catalyzed Ring-Opening Coupling of <i>gem</i>-Difluorocyclopropanes for the Construction of 2-Fluoroallylic Sulfones.","The Journal of organic chemistry","2019","84","21","13646","13654","10.1021/acs.joc.9b01897","","","0.71073","MoKα","","0.0864","0.0538","","","0.0965","0.114","","","","","","0.993","","","","has coordinates","223028","2020-10-21","18:00:00",""
"4034524","19.2816","0.0006","14.7591","0.0004","20.9864","0.0007","90","","90","","90","","5972.3","0.3","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Br4 I2 In N2 O3 -","- C23 H21 Br4 I2 In N2 O3 -","- C184 H168 Br32 I16 In8 N16 O24 -","8","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0456","","","","0.0332","","","","","","1.663","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034525","8.4308","0.0009","8.9813","0.0007","10.4867","0.0011","77.69","0.008","66.808","0.01","83.175","0.008","712.56","0.13","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 I O3 -","- C14 H17 I O3 -","- C28 H34 I2 O6 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0372","","","","0.0436","","","","","","0.99","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034526","7.53781","0.00014","10.20563","0.00017","11.60365","0.00018","73.547","0.0014","78.527","0.0014","86.886","0.0014","838.99","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C38 H36 I2 N2 O2 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0278","","","","0.0264","","","","","","2.037","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034527","10.0928","0.0003","11.2539","0.0003","15.7207","0.0005","110.444","0.003","93.094","0.003","104.384","0.002","1601.09","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 Br4 I2 In N2 O -","- C27 H19 Br4 I2 In N2 O -","- C54 H38 Br8 I4 In2 N4 O2 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0388","","","","0.0406","","","","","","1.364","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034528","15.7256","0.0011","7.8647","0.0005","12.5283","0.0008","90","","107.452","0.007","90","","1478.14","0.18","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 I O -","- C17 H13 I O -","- C68 H52 I4 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0339","","","","0.0769","","","","","","0.951","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034529","10.7276","0.0003","6.04195","0.00012","21.376","0.0005","90","","92.5","0.002","90","","1384.18","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","1.54184","CuKα","","","0.057","","","","0.0701","","","","","","3.418","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034530","7.51047","0.00005","20.79595","0.00011","11.09437","0.00006","90","","90.0347","0.0006","90","","1732.8","0.017","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O -","- C24 H20 O -","- C96 H80 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","1.54184","CuKα","","","0.0635","","","","0.1574","","","","","","0.802","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034531","10.9644","0.0002","30.3343","0.0005","11.0367","0.0002","90","","98.842","0.0008","90","","3627.15","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 Br N2 O9 -","- C35 H41 Br N2 O9 -","- C140 H164 Br4 N8 O36 -","4","2","","Sato, Ryo; Tosaka, Takuya; Masu, Hyuma; Arai, Takayoshi","Catalytic Asymmetric Synthesis of Chiral Bis(indolyl)methanes Using a Ts-PyBidine-Nickel Complex.","The Journal of organic chemistry","2019","84","21","14248","14257","10.1021/acs.joc.9b02006","","","1.54178","CuKα","","0.0385","0.0379","","","0.0982","0.0989","","","","","","1.021","","","","has coordinates","223030","2020-10-21","18:00:00",""
"4034532","9.413","0.003","10.263","0.003","11.789","0.003","82.581","0.004","78.044","0.004","79.541","0.003","1090.7","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","tosaka20161121","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Sato, Ryo; Tosaka, Takuya; Masu, Hyuma; Arai, Takayoshi","Catalytic Asymmetric Synthesis of Chiral Bis(indolyl)methanes Using a Ts-PyBidine-Nickel Complex.","The Journal of organic chemistry","2019","84","21","14248","14257","10.1021/acs.joc.9b02006","","","0.71073","MoKα","","0.1304","0.0931","","","0.176","0.1914","","","","","","1.157","","","","has coordinates,has disorder","223031","2020-10-21","18:00:00",""
"4034533","7.0678","0.0007","24.954","0.002","11.6047","0.001","90","","91.286","0.006","90","","2046.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O4 -","- C23 H25 N3 O4 -","- C92 H100 N12 O16 -","4","1","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","","1.54187","CuKα","","0.1603","0.0657","","","0.1595","0.2241","","","","","","0.995","","","","has coordinates","223032","2020-10-21","18:00:00",""
"4034534","14.9275","0.0004","13.8231","0.0003","23.3215","0.0006","90","","107.109","0.003","90","","4599.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N3 O5.5 -","- C24 H28 N3 O5.5 -","- C192 H224 N24 O44 -","8","2","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","x-ray","0.71073","MoKα","","0.0695","0.0513","","","0.1363","0.1469","","","","","","1.048","","","","has coordinates","223033","2020-10-21","18:00:00",""
"4034535","15.119","0.015","6.98","0.005","23.971","0.015","90","","98.71","0.03","90","","2501","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F3 N3 O3 -","- C28 H24 F3 N3 O3 -","- C112 H96 F12 N12 O12 -","4","1","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","","1.54187","CuKα","","0.1456","0.0792","","","0.2168","0.2618","","","","","","0.924","","","","has coordinates,has disorder","223034","2020-10-21","18:00:00",""
"4034536","45.984","0.003","14.1262","0.0009","15.9483","0.001","90","","92.21","0.003","90","","10352","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C480 H480 N96 O48 -","48","12","","Bisht, Girish Singh; Gnanaprakasam, Boopathy","Transition-Metal-Free Addition Reaction for the Synthesis of 3-(Aminobenzylidene/aminoalkylidene)indolin-2-ones and Its Synthetic Applications.","The Journal of organic chemistry","2019","84","21","13516","13527","10.1021/acs.joc.9b01771","","","1.54178","CuKα","","0.0561","0.0465","","","0.1424","0.1495","","","","","","1.13","","","","has coordinates","223035","2020-10-21","18:00:00",""
"4034537","32.615","0.003","7.5572","0.0008","23.266","0.002","90","","129.639","0.003","90","","4416.1","0.8","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C224 H192 N16 O8 -","8","1","","Cardoza, Savio; Das, Parthasarathi; Tandon, Vibha","Pd-Catalyzed Sequential Arylation of 7-Azaindoles: Aggregate-Induced Emission of Tetra-Aryl 7-Azaindoles.","The Journal of organic chemistry","2019","84","21","14015","14029","10.1021/acs.joc.9b02187","","","0.71073","MoKα","","0.0548","0.0479","","","0.203","0.2241","","","","","","1.04","","","","has coordinates","223036","2020-10-21","18:00:00",""
"4034538","9.286","0.0014","32.685","0.004","10.0857","0.0012","90","","113.399","0.004","90","","2809.4","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 N2 O2 -","- C35 H30 N2 O2 -","- C140 H120 N8 O8 -","4","1","","Cardoza, Savio; Das, Parthasarathi; Tandon, Vibha","Pd-Catalyzed Sequential Arylation of 7-Azaindoles: Aggregate-Induced Emission of Tetra-Aryl 7-Azaindoles.","The Journal of organic chemistry","2019","84","21","14015","14029","10.1021/acs.joc.9b02187","","","0.71073","MoKα","","0.077","0.0533","","","0.1576","0.1814","","","","","","1.067","","","","has coordinates","223037","2020-10-21","18:00:00",""
"4034539","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223038","2020-10-21","18:00:00",""
"4034540","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","223039","2020-10-21","18:00:00",""
"4034541","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","223040","2020-10-21","18:00:00",""
"4034542","10.4256","0.0014","12.6372","0.0014","16.616","0.002","90","","96.095","0.012","90","","2176.8","0.5","293","2","293","2","","","","","","","oganic synthesis","4","P 1 21/n 1","-P 2yn","14","","(10-ethyl-7-phenyl-6,7-dihydro-5H-benzo[b]pyrrolo[1,2-d][1,4]diazepin-5-yl)(phenyl)methanone","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zelina, Elena Y.; Nevolina, Tatyana A.; Skvortsov, Dmitry A.; Trushkov, Igor V.; Uchuskin, Maxim G.","A Route to (Het)arene-Annulated Pyrrolo[1,2-<i>d</i>][1,4]diazepines via the Expanded Intramolecular Paal-Knorr Reaction: Nitro Group and Furan Ring as Equivalents of Amino Group and 1,4-Diketone.","The Journal of organic chemistry","2019","84","21","13707","13720","10.1021/acs.joc.9b01925","","x-ray","0.71073","MoKα","","0.0822","0.0649","","","0.1833","0.197","","","","","","1.034","","","","has coordinates","223041","2020-10-21","18:00:00",""
"4034543","17.08","0.03","14.32","0.02","7.997","0.012","90","","80.212","0.018","90","","1927","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.1209","0.0781","","","0.1993","0.2334","","","","","","1.008","","","","has coordinates","223042","2020-10-21","18:00:00",""
"4034544","7.564","0.003","10.325","0.004","11.849","0.004","80.459","0.009","89.468","0.009","88.028","0.009","912","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C40 H40 N4 O8 S2 -","2","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.0343","0.0324","","","0.091","0.0927","","","","","","0.998","","","","has coordinates","223043","2020-10-21","18:00:00",""
"4034545","25.468","0.005","4.6287","0.0008","23.093","0.004","90","","113.58","0.005","90","","2495","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 Br N2 O -","- C16 H9 Br N2 O -","- C128 H72 Br8 N16 O8 -","8","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.0797","0.0592","","","0.1713","0.1984","","","","","","1.005","","","","has coordinates","223044","2020-10-21","18:00:00",""
"4034546","9.3851","0.0019","10.325","0.002","13.344","0.003","89.257","0.002","74.918","0.002","67.207","0.002","1145.4","0.4","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 N6 -","- C24 H36 N6 -","- C48 H72 N12 -","2","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","0.71073","MoKα","","0.0473","0.0412","","","0.1053","0.11","","","","","","0.967","","","","has coordinates","223045","2020-10-21","18:00:00",""
"4034547","25.9278","0.0011","10.4781","0.0004","23.3336","0.001","90","","123.115","0.004","90","","5309.5","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N6 -","- C30 H36 N6 -","- C240 H288 N48 -","8","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","1.54178","CuKα","","0.0883","0.0544","","","0.1193","0.131","","","","","","1.053","","","","has coordinates,has disorder","223046","2020-10-21","18:00:00",""
"4034548","11.0095","0.0006","23.1808","0.0013","13.2505","0.0007","90","","114.06","0.003","90","","3087.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 N6 -","- C32 H46 N6 -","- C128 H184 N24 -","4","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","1.54178","CuKα","","0.0887","0.069","","","0.1814","0.2012","","","","","","1.053","","","","has coordinates,has disorder","223047","2020-10-21","18:00:00",""
"4034549","33.097","0.003","12.1277","0.0012","7.263","0.0007","90","","101.451","0.006","90","","2857.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C136 H96 F8 N8 O24 -","8","1","","Vadivelu, Murugan; Sampath, Sugirdha; Muthu, Kesavan; Karthikeyan, Kesavan; Praveen, Chandrasekar","Harnessing the TEMPO-Catalyzed Aerobic Oxidation for Machetti-De Sarlo Reaction toward Sustainable Synthesis of Isoxazole Libraries.","The Journal of organic chemistry","2019","84","21","13636","13645","10.1021/acs.joc.9b01896","","","0.71073","MoKα","","0.0837","0.0515","","","0.1042","0.1223","","","","","","1.07","","","","has coordinates","223048","2020-10-21","18:00:00",""
"4034550","13.752","0.002","10.6347","0.001","12.4145","0.0018","90","","114.16","0.018","90","","1656.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N7 O3 S -","- C13 H17 N7 O3 S -","- C52 H68 N28 O12 S4 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","0.71073","MoKα","","0.1289","0.0626","","","0.1488","0.2048","","","","","","1.002","","","","has coordinates","223049","2020-10-21","18:00:00",""
"4034551","8.9035","0.0005","10.0161","0.0007","10.3084","0.0007","90.185","0.006","108.341","0.005","112.269","0.006","799.62","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 F N5 O2 S2 -","- C13 H16 F N5 O2 S2 -","- C26 H32 F2 N10 O4 S4 -","2","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","0.7107","MoKα","","0.056","0.0431","","","0.1351","0.1525","","","","","","1.009","","","","has coordinates","223050","2020-10-21","18:00:00",""
"4034552","8.53","0.006","9.037","0.004","23.329","0.016","90","","90","","90","","1798.3","1.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N6 O2 S2 -","- C13 H24 N6 O2 S2 -","- C52 H96 N24 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","1.54184","CuKα","","0.0507","0.045","","","0.1028","0.1042","","","","","","1.038","","","","has coordinates","223051","2020-10-21","18:00:00",""
"4034553","11.6527","0.0019","16.548","0.0019","12.5581","0.0019","90","","109.183","0.017","90","","2287.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Tong, Pei; Sun, Zhou; Wang, Shutao; Zhang, Yuan; Li, Ying","Zn(OTf)<sub>2</sub>-Catalyzed Formal [3 + 3] Cascade Annulation of Propargylic Alcohols with 2-Aminochromones: Accessing the Chromeno[2,3-<i>b</i>]pyridines.","The Journal of organic chemistry","2019","84","21","13967","13974","10.1021/acs.joc.9b02120","","","0.71073","MoKα","","0.1387","0.0637","","","0.1198","0.1576","","","","","","1.026","","","","has coordinates","223052","2020-10-21","18:00:00",""
"4034554","8.153","0.0006","10.6538","0.0008","18.3193","0.0014","90","","90","","90","","1591.2","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.1082","0.1045","","","0.2425","0.2494","","","","","","1.144","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034555","7.4919","0.0005","13.2055","0.0009","15.9971","0.0011","90","","90","","90","","1582.66","0.19","120","","120","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C19 H19 N2 O3 -","- C19 H19 N2 O3 -","- C76 H76 N8 O12 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.0465","0.0399","","","0.1013","0.1084","","","","","","1.046","","","","has coordinates","223054","2020-10-21","18:00:00",""
"4034556","9.2943","0.0004","10.1497","0.0004","19.3054","0.0007","90","","90","","90","","1821.16","0.13","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","1.54178","CuKα","","0.0274","0.0267","","","0.07","0.0708","","","","","","1.048","","","","has coordinates","223055","2020-10-21","18:00:00",""
"4034557","6.9459","0.0013","19.489","0.004","15.671","0.003","90","","90.077","0.004","90","","2121.4","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","2","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","0.71073","MoKα","","0.1686","0.0877","","","0.1834","0.2342","","","","","","0.976","","","","has coordinates","223056","2020-10-21","18:00:00",""
"4034558","11.04919","0.00018","12.5553","0.0003","13.5552","0.0003","73.9262","0.0019","79.3366","0.0016","79.3046","0.0016","1757.67","0.07","294.1","0.2","294.1","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N S -","- C24 H17 N S -","- C96 H68 N4 S4 -","4","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0626","0.0501","","","0.1324","0.1421","","","","","","1.044","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034559","18.3659","0.0012","11.7207","0.0009","8.8736","0.0007","90","","102.469","0.007","90","","1865.1","0.2","294.13","0.16","294.13","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 S -","- C24 H16 N2 O2 S -","- C96 H64 N8 O8 S4 -","4","1","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.1505","0.065","","","0.1187","0.1589","","","","","","1.037","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034560","12.1121","0.0003","14.1893","0.0003","21.9733","0.0006","90","","104.932","0.003","90","","3648.86","0.16","293.9","0.3","293.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 S -","- C25 H16 N2 S -","- C200 H128 N16 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0564","0.0417","","","0.1004","0.1106","","","","","","1.029","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034561","15.0652","0.0003","12.5113","0.0003","19.6794","0.0005","90","","90","","90","","3709.28","0.15","293.6","0.19","293.6","0.19","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H17 N O2 S -","- C25 H17 N O2 S -","- C200 H136 N8 O16 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0646","0.0521","","","0.1187","0.1307","","","","","","1.047","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034562","22.6911","0.0013","20.5795","0.0009","8.1911","0.0004","90","","90","","90","","3825","0.3","293.9","0.4","293.9","0.4","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C200 H144 N16 O8 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0981","0.0603","","","0.1343","0.1553","","","","","","1.044","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034563","4.3237","0.0002","19.2147","0.0006","21.1017","0.0008","90","","94.738","0.004","90","","1747.11","0.12","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 S -","- C24 H18 N2 S -","- C96 H72 N8 S4 -","4","1","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0973","0.0602","","","0.133","0.1553","","","","","","1.059","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034565","21.15","0.003","9.7675","0.0013","16.065","0.002","90","","104.705","0.002","90","","3210","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O6 S -","- C16 H16 O6 S -","- C128 H128 O48 S8 -","8","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","","0.71073","MoKα","","0.0473","0.0387","","","0.1074","0.1117","","","","","","1.008","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034566","15.573","0.0011","15.4582","0.0011","11.9655","0.0009","90","","106.128","0.002","90","","2767.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 Ru S -","- C30 H32 O4 Ru S -","- C120 H128 O16 Ru4 S4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0383","0.03","","","0.0743","0.0814","","","","","","1.043","","","","has coordinates,has disorder","223058","2020-10-21","18:00:00",""
"4034567","11.0617","0.0008","10.3249","0.0008","15.3097","0.0011","90","","104.003","0.003","90","","1696.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0541","0.0406","","","0.0894","0.0952","","","","","","1.059","","","","has coordinates,has disorder","223058","2020-10-21","18:00:00",""
"4034568","15.5019","0.0008","8.5732","0.0005","14.4028","0.0008","90","","107.173","0.002","90","","1828.81","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O5 S Si -","- C17 H22 O5 S Si -","- C68 H88 O20 S4 Si4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0456","0.0349","","","0.0845","0.0905","","","","","","1.051","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034569","8.1249","0.0014","9.0422","0.0014","9.265","0.0015","75.059","0.012","64.69","0.011","71.468","0.011","577.49","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Co F6 O8 -","- C4 H8 Co F6 O8 -","- C8 H16 Co2 F12 O16 -","2","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0784","0.0551","","","0.1087","0.1202","","","","","","1.057","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034570","7.5692","0.0002","11.1619","0.0003","13.8735","0.0004","69.526","0.001","76.891","0.001","78.419","0.001","1059.96","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C48 H42 N2 O12 S2 -","2","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0488","0.0406","","","0.0966","0.1029","","","","","","1.027","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034571","13.4894","0.0001","13.8665","0.0001","22.2258","0.0002","90","","90","","90","","4157.35","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","1","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.0301","0.0294","","","0.0781","0.0788","","","","","","1.023","","","","has coordinates","223059","2020-10-21","18:00:00",""
"4034572","28.4549","0.0014","6.8073","0.0003","70.292","0.003","90","","96.374","0.004","90","","13531.5","1.1","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C46 H63 O8 -","- C46 H63 O8 -","- C552 H756 O96 -","12","3","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.0939","0.0786","","","0.2114","0.2289","","","","","","1.066","","","","has coordinates","223060","2020-10-21","18:00:00",""
"4034573","7.14826","0.00009","21.3979","0.0003","26.9591","0.0004","90","","91.3181","0.0012","90","","4122.51","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","2","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.046","0.0441","","","0.1186","0.1201","","","","","","1.044","","","","has coordinates","223061","2020-10-21","18:00:00",""
"4034574","16.2705","0.0002","23.0829","0.0003","16.4391","0.0002","90","","90","","90","","6174.04","0.13","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O4 -","- C16 H13 Cl N2 O4 -","- C256 H208 Cl16 N32 O64 -","16","2","","Xing, Linlin; Zhang, Yong; Zhang, Yilin; Ai, Zhenkang; Li, Xuemin; Du, Yunfei; Deng, Jun; Zhao, Kang","Regioselective Chlorolactonization of Styrene-Type Carboxylic Esters and Amides via PhICl<sub>2</sub>-Mediated Oxidative C-O/C-Cl Bond Formations.","The Journal of organic chemistry","2019","84","21","13832","13840","10.1021/acs.joc.9b02022","","x-ray","1.54184","CuKα","","0.0698","0.0557","","","0.1443","0.1564","","","","","","1.023","","","","has coordinates,has disorder","223062","2020-10-21","18:00:00",""
"4034575","8.30352","0.00008","8.62547","0.00011","10.50067","0.00011","106.302","0.001","101.893","0.0009","103.836","0.001","670.1","0.015","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl F3 O2 -","- C16 H10 Cl F3 O2 -","- C32 H20 Cl2 F6 O4 -","2","1","","Xing, Linlin; Zhang, Yong; Zhang, Yilin; Ai, Zhenkang; Li, Xuemin; Du, Yunfei; Deng, Jun; Zhao, Kang","Regioselective Chlorolactonization of Styrene-Type Carboxylic Esters and Amides via PhICl<sub>2</sub>-Mediated Oxidative C-O/C-Cl Bond Formations.","The Journal of organic chemistry","2019","84","21","13832","13840","10.1021/acs.joc.9b02022","","x-ray","1.54184","CuKα","","0.0298","0.0282","","","0.0752","0.0778","","","","","","1.08","","","","has coordinates","223063","2020-10-21","18:00:00",""
"4034576","8.345","0.003","11.25","0.003","30.833","0.009","90","","90","","90","","2894.6","1.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 Cl O3 -","- C16 H15 Cl O3 -","- C128 H120 Cl8 O24 -","8","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0482","0.0343","","","0.0878","0.0946","","","","","","0.901","","","","has coordinates","223064","2020-10-21","18:00:00",""
"4034577","14.851","0.015","4.703","0.005","16.195","0.016","90","","107.694","0.012","90","","1077.6","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl O3 -","- C11 H13 Cl O3 -","- C44 H52 Cl4 O12 -","4","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0705","0.0529","","","0.1263","0.1322","","","","","","1.178","","","","has coordinates","223065","2020-10-21","18:00:00",""
"4034578","5.6203","0.0003","8.9365","0.0005","14.7908","0.001","90","","92.213","0.003","90","","742.33","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0526","0.036","","","0.1049","0.1219","","","","","","0.933","","","","has coordinates","223066","2020-10-21","18:00:00",""
"4034579","11.9718","0.0007","10.0001","0.0005","13.155","0.0007","90","","94.144","0.005","90","","1570.79","0.15","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0363","0.0298","","","0.0806","0.083","","","","","","1.07","","","","has coordinates","223067","2020-10-21","18:00:00",""
"4034580","11.4273","0.0002","12.1982","0.0002","12.8395","0.0002","90","","90","","90","","1789.73","0.05","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0288","","","0.08","0.0806","","","","","","1.052","","","","has coordinates","223068","2020-10-21","18:00:00",""
"4034581","5.7829","0.0002","13.4141","0.0005","20.7255","0.0006","90","","90","","90","","1607.73","0.09","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0283","","","0.0784","0.0792","","","","","","1.081","","","","has coordinates","223069","2020-10-21","18:00:00",""
"4034582","12.9091","0.0009","18.649","0.0012","16.3846","0.0011","90","","106.745","0.003","90","","3777.2","0.4","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 O2 -","- C43 H60 O2 -","- C172 H240 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.0658","0.0501","","","0.1321","0.1417","","","","","","1.041","","","","has coordinates","223070","2020-10-21","18:00:00",""
"4034583","14.5479","0.0012","13.8161","0.0012","19.0946","0.0016","90","","94.938","0.004","90","","3823.7","0.6","109","2","108.97","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 O2 -","- C47 H52 O2 -","- C188 H208 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.2031","0.1876","","","0.496","0.503","","","","","","1.102","","","","has coordinates","223070","2020-10-21","18:00:00",""
"4034584","10.1187","0.0002","21.3827","0.0005","23.195","0.0006","90","","90","","90","","5018.6","0.2","102","2","102.49","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 O2 -","- C59 H76 O2 -","- C236 H304 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.0668","0.0466","","","0.1066","0.1165","","","","","","1.016","","","","has coordinates,has disorder","223070","2020-10-21","18:00:00",""
"4034585","9.834","0.003","23.521","0.006","10.229","0.003","90","","102.582","0.003","90","","2309.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N2 O S2 -","- C25 H21 Br N2 O S2 -","- C100 H84 Br4 N8 O4 S8 -","4","1","","Bodhak, Chandan; Pramanik, Animesh","One-Pot, Three-Component Synthesis of 5-Sulfenyl-2-iminothiazolines by Cross-Dehydrogenative C-S Coupling Using I<sub>2</sub>/DMSO in Open Air.","The Journal of organic chemistry","2019","84","11","7265","7278","10.1021/acs.joc.9b00785","","","0.71073","MoKα","","0.0469","0.0325","","","0.0783","0.0845","","","","","","1.028","","","","has coordinates","223071","2020-10-21","18:00:00",""
"4034586","4.7639","0.0003","10.5335","0.0006","23.7167","0.0013","90","","94.668","0.007","90","","1186.17","0.12","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 F6 N3 -","- C12 H7 F6 N3 -","- C48 H28 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0597","","","","0.1286","","","","","","0.916","","","","has coordinates","223072","2020-10-21","18:00:00",""
"4034587","11.716","0.0004","5.04263","0.00015","21.6594","0.0007","90","","103.028","0.008","90","","1246.69","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F6 N3 -","- C13 H9 F6 N3 -","- C52 H36 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0399","","","","0.1113","","","","","","1.071","","","","has coordinates","223073","2020-10-21","18:00:00",""
"4034588","9.2235","0.0003","9.2912","0.0003","31.3829","0.001","90","","90","","90","","2689.43","0.15","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C112 H88 F48 N24 -","8","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0657","","","","0.1414","","","","","","1.048","","","","has coordinates","223074","2020-10-21","18:00:00",""
"4034589","5.05749","0.00017","29.7507","0.001","9.2553","0.0003","90","","104.672","0.008","90","","1347.18","0.09","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C56 H44 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0671","","","","0.1709","","","","","","0.959","","","","has coordinates","223075","2020-10-21","18:00:00",""
"4034590","4.5879","0.0003","10.6241","0.0005","11.9829","0.0006","90","","92.543","0.007","90","","583.5","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H7 F6 N3 -","- C12 H7 F6 N3 -","- C24 H14 F12 N6 -","2","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0441","","","","0.1066","","","","","","1.013","","","","has coordinates","223076","2020-10-21","18:00:00",""
"4034591","15.2452","0.0003","17.0853","0.0003","19.0868","0.0003","90","","90","","90","","4971.52","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C272 H216 N8 O16 -","8","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0392","0.037","","","0.0919","0.0935","","","","","","1.031","","","","has coordinates","223077","2020-10-21","18:00:00",""
"4034592","9.7016","0.0004","11.6604","0.0004","11.727","0.0005","88.483","0.003","86.881","0.003","89.643","0.003","1324.17","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","2","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","","0.71073","MoKα","","0.0791","0.0721","","","0.1929","0.1984","","","","","","1.101","","","","has coordinates","223078","2020-10-21","18:00:00",""
"4034593","16.4257","0.0002","18.3154","0.0001","16.5931","0.0002","90","","111.952","0.001","90","","4629.99","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 N O3 -","- C30 H27 N O3 -","- C240 H216 N8 O24 -","8","2","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0441","0.0416","","","0.105","0.1071","","","","","","1.031","","","","has coordinates,has disorder","223079","2020-10-21","18:00:00",""
"4034594","12.92","0.0004","10.2331","0.0003","15.3199","0.0004","90","","99.36","0.003","90","","1998.5","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0464","0.0435","","","0.1081","0.1101","","","","","","1.053","","","","has coordinates","223080","2020-10-21","18:00:00",""
"4034595","16.7112","0.0006","18.8566","0.0007","15.79","0.0006","90","","110.115","0.004","90","","4672.2","0.3","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54184","CuKα","","0.0645","0.0563","","","0.1529","0.1655","","","","","","1.063","","","","has coordinates","223081","2020-10-21","18:00:00",""
"4034596","21.6654","0.0004","9.6032","0.0002","29.9888","0.0007","90","","90","","90","","6239.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C272 H272 Cl16 N32 O16 -","16","2","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54178","CuKα","","0.0851","0.0754","","","0.1657","0.1694","","","","","","1.239","","","","has coordinates,has disorder","223081","2020-10-21","18:00:00",""
"4034597","8.8011","0.0004","16.3251","0.0007","21.7086","0.001","104.967","0.002","99.429","0.002","98.308","0.002","2914.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Iron tricarbonyl triaminocyclopentadienyl tetrafuloroborate","Iron tricarbonyl triaminocyclopentadienyl tetrafuloroborate","","- C27 H27 B F4 Fe N3 O3 -","- C27 H27 B F4 Fe N3 O3 -","- C108 H108 B4 F16 Fe4 N12 O12 -","4","2","","Lator, Alexis; Gaillard, Quentin Gaignard; Mérel, Delphine S; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc","Room-Temperature Chemoselective Reductive Alkylation of Amines Catalyzed by a Well-Defined Iron(II) Complex Using Hydrogen.","The Journal of organic chemistry","2019","84","11","6813","6829","10.1021/acs.joc.9b00581","","","0.71073","MoKα","","0.0989","0.0831","","","0.1917","0.1989","","","","","","1.097","","","","has coordinates","223082","2020-10-21","18:00:00",""
"4034598","19.0715","0.0007","19.0715","0.0007","18.6402","0.0011","90","","90","","90","","6779.9","0.5","291.9","0.2","291.9","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C320 H240 Cl16 N32 O16 -","16","1","","Dagar, Anuradha; Bae, Gi Hun; Lee, Jeong Hwa; Kim, Ikyon","Tandem [4+1+1] Annulation Approach to 4-Acyl-3,4-dihydropyrrolo[1,2- a]pyrazines: Diastereoselective Construction of Dihydropyrazine Units from Pyrroles.","The Journal of organic chemistry","2019","84","11","6916","6927","10.1021/acs.joc.9b00724","","x-ray","0.71073","MoKα","","0.1342","0.0642","","","0.1104","0.1343","","","","","","1.044","","","","has coordinates","223083","2020-10-21","18:00:00",""
"4034599","10.1429","0.0005","11.3255","0.0006","28.5157","0.0015","101.224","0.002","94.472","0.002","94.362","0.002","3189.3","0.3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C37.5 H29 Cl Fe N2 O2 S Se -","- C37.5 H28.5 Cl Fe N2 O2 S Se -","- C150 H114 Cl4 Fe4 N8 O8 S4 Se4 -","4","2","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.0988","0.0538","","","0.0893","0.1026","","","","","","1.031","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4034600","7.2892","0.0014","10.772","0.002","16.748","0.004","90.548","0.01","94.001","0.011","100.253","0.01","1290.6","0.5","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Br Cl3 Fe N2 O S -","- C27 H20 Br Cl3 Fe N2 O S -","- C54 H40 Br2 Cl6 Fe2 N4 O2 S2 -","2","1","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.1188","0.0581","","","0.1336","0.164","","","","","","0.94","","","","has coordinates","223086","2020-10-21","18:00:00",""
"4034601","10.2382","0.0007","10.5403","0.0006","14.96","0.0009","101.312","0.003","96.876","0.003","101.715","0.003","1528.5","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H25 Cl2 Fe N2 O2 S Se -","- C34 H25 Cl2 Fe N2 O2 S Se -","- C68 H50 Cl4 Fe2 N4 O4 S2 Se2 -","2","1","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.0618","0.0431","","","0.0936","0.1016","","","","","","1.013","","","","has coordinates","223087","2020-10-21","18:00:00",""
"4034602","7.5106","0.0004","8.1242","0.0003","46.103","0.003","90","","90","","90","","2813.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N3 O9 -","- C31 H27 N3 O9 -","- C124 H108 N12 O36 -","4","1","","Zuo, Xiong; Liu, Xiong-Li; Wang, Jun-Xin; Yao, Yi-Ming; Zhou, Yan-You; Wei, Qi-Di; Gong, Yi; Zhou, Ying","Organocatalytic Reaction of Chromone-Oxindole Synthon: Access to Chromanone-Based Spirocyclohexaneoxindoles with Five Adjacent Stereocenters.","The Journal of organic chemistry","2019","84","11","6679","6688","10.1021/acs.joc.9b00326","","x-ray","1.54184","CuKα","","0.0708","0.0673","","","0.1729","0.1753","","","","","","1.067","","","","has coordinates","223088","2020-10-21","18:00:00",""
"4034603","6.0244","0.0002","10.8597","0.0004","12.0848","0.0004","90","","90.221","0.002","90","","790.62","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C32 H42 Cl2 N4 O4 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0392","0.0354","","","0.0818","0.0835","","","","","","1.065","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034604","8.8127","0.0002","12.4251","0.0003","16.7855","0.0004","90","","90","","90","","1837.99","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O4 -","- C18 H25 Cl N2 O4 -","- C72 H100 Cl4 N8 O16 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0314","0.0298","","","0.0681","0.0687","","","","","","1.069","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034605","5.9927","0.0001","15.8308","0.0003","16.9752","0.0003","90","","90","","90","","1610.42","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl F N2 O2 -","- C16 H20 Cl F N2 O2 -","- C64 H80 Cl4 F4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0401","0.036","","","0.0915","0.0938","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034606","10.0063","0.0003","12.9939","0.0004","14.0411","0.0003","90","","106.272","0.0017","90","","1752.51","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl N3 O4 -","- C16 H20 Cl N3 O4 -","- C64 H80 Cl4 N12 O16 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0449","0.0364","","","0.0811","0.0854","","","","","","1.027","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034607","6.154","0.0004","14.8883","0.001","15.8902","0.001","90","","90","","90","","1455.9","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N2 O2 -","- C15 H19 Cl N2 O2 -","- C60 H76 Cl4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0316","0.0283","","","0.0651","0.0669","","","","","","1.045","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034608","6.6026","0.0001","16.0983","0.0003","11.7124","0.0002","90","","103.279","0.001","90","","1211.63","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl N2 O2 -","- C10 H17 Cl N2 O2 -","- C40 H68 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.031","0.0282","","","0.0647","0.066","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034609","8.11","0.0001","14.6693","0.0002","11.5814","0.0002","90","","94.617","0.001","90","","1373.35","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 Cl N2 O2 -","- C12 H21 Cl N2 O2 -","- C48 H84 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.034","0.0302","","","0.068","0.0698","","","","","","1.038","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034610","12.1176","0.0004","7.5277","0.0003","12.3487","0.0004","90","","114.006","0.002","90","","1028.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0475","0.041","","","0.0926","0.0962","","","","","","1.058","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034611","10.6364","0.0002","5.2321","0.0001","18.8702","0.0003","90","","103.104","0.001","90","","1022.79","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 O7 S -","- C19 H32 O7 S -","- C38 H64 O14 S2 -","2","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0348","0.0342","","","0.0933","0.0936","","","","","","1.16","","","","has coordinates","223090","2020-10-21","18:00:00",""
"4034612","21.5846","0.00002","5.0243","0.00001","19.5658","0.00002","90","","98.775","0.003","90","","2097.03","0.018","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H33 O7.5 S -","- C19 H33 O7.5 S -","- C76 H132 O30 S4 -","4","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0343","0.0303","","0.0786","0.0765","0.0786","","","","","","1.0202","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4034613","12.18","0.002","13.002","0.003","23.231","0.005","90","","102.88","0.03","90","","3586.4","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 F3 N2 O -","- C20 H19 F3 N2 O -","- C160 H152 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71075","MoKα","","0.0684","0.0516","","","0.1216","0.1303","","","","","","1.032","","","","has coordinates","223091","2020-10-21","18:00:00",""
"4034614","8.9628","0.0018","9.4248","0.0019","9.828","0.002","72.59","0.03","76.23","0.03","66.65","0.03","720.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C34 H26 F6 N4 O2 -","2","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71075","MoKα","","0.0945","0.0601","","","0.132","0.1501","","","","","","1.027","","","","has coordinates","223092","2020-10-21","18:00:00",""
"4034615","27.797","0.003","12.3377","0.0013","22.253","0.002","90","","124.115","0.003","90","","6318.4","1.1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H50 Br4 N8 O9 Pd4 -","- C65 H50 Br4 N8 O9 Pd4 -","- C260 H200 Br16 N32 O36 Pd16 -","4","0.5","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71073","MoKα","","0.0311","0.025","","","0.0576","0.061","","","","","","1.049","","","","has coordinates,has disorder","223093","2020-10-21","18:00:00",""
"4034616","11.9093","0.0004","4.2046","0.0001","17.3663","0.0006","90","","92.247","0.002","90","","868.93","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I N2 -","- C9 H7 I N2 -","- C36 H28 I4 N8 -","4","1","","Kazi, Imran; Guha, Somraj; Sekar, Govindasamy","Halogen Bond-Assisted Electron-Catalyzed Atom Economic Iodination of Heteroarenes at Room Temperature.","The Journal of organic chemistry","2019","84","11","6642","6654","10.1021/acs.joc.9b00174","","","0.71073","MoKα","","0.0245","0.0202","","","0.0423","0.0442","","","","","","1.068","","","","has coordinates","223094","2020-10-21","18:00:00",""
"4034617","8.835","0.004","10.618","0.005","21.406","0.01","90","","94.091","0.008","90","","2003","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.1186","0.0568","","","0.1202","0.15","","","","","","0.997","","","","has coordinates","223095","2020-10-21","18:00:00",""
"4034618","9.395","0.003","10.61","0.003","11.09","0.004","75.545","0.006","84.22","0.007","76.423","0.007","1039.5","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F O2 P -","- C27 H20 F O2 P -","- C54 H40 F2 O4 P2 -","2","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.083","0.0454","","","0.0943","0.1166","","","","","","1.029","","","","has coordinates,has disorder","223096","2020-10-21","18:00:00",""
"4034619","10.256","0.005","23.54","0.012","9.465","0.005","90","","94.141","0.009","90","","2279","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F3 O2 P -","- C28 H20 F3 O2 P -","- C112 H80 F12 O8 P4 -","4","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.1106","0.0597","","","0.15","0.1832","","","","","","1.019","","","","has coordinates,has disorder","223097","2020-10-21","18:00:00",""
"4034620","8.33461","0.00016","10.798","0.0002","17.6151","0.0003","90","","103.262","0.0019","90","","1543.03","0.05","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylisatin","1-methylindole-2,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C72 H56 N8 O16 -","8","2","","Martínez Suárez, Jaime F; Caram, José A; Echeverría, Gustavo A; Piro, Oscar E.; Gennaro, Ana M.; Mirífico, María V","Electrosynthesis of N-Methylisatin.","The Journal of organic chemistry","2019","84","11","6879","6885","10.1021/acs.joc.9b00690","","x-ray","1.54184","CuKα","","0.0479","0.0413","","","0.1189","0.1287","","","","","","1.038","","","","has coordinates","223098","2020-10-21","18:00:00",""
"4034621","12.8491","0.0003","12.8491","0.0003","22.5713","0.0005","90","","90","","120","","3227.25","0.13","253","0.1","253","0.1","","","","","","","","7","P 61","P 61","169","","","","- C19 H23 Cl N O4 P S -","- C19 H23 Cl N O4 P S -","- C114 H138 Cl6 N6 O24 P6 S6 -","6","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0313","0.0306","","","0.0832","0.0842","","","","","","1.062","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4034622","6.1288","0.0012","16.1","0.003","22.181","0.004","90","","90","","90","","2188.7","0.7","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl N O4 P S -","- C19 H25 Cl N O4 P S -","- C76 H100 Cl4 N4 O16 P4 S4 -","4","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0557","0.0468","","","0.1203","0.1308","","","","","","1.044","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4034623","6.1681","0.0017","8.599","0.002","45.381","0.012","90","","91.368","0.006","90","","2406.3","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F3 N O2 S -","- C26 H23 Cl F3 N O2 S -","- C104 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.194","0.0771","","","0.166","0.2044","","","","","","1.037","","","","has coordinates","223100","2020-10-21","18:00:00",""
"4034624","6.5738","0.0003","9.2172","0.0004","35.5118","0.0013","90","","90","","90","","2151.73","0.16","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl F3 N O2 S -","- C22 H23 Cl F3 N O2 S -","- C88 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.0514","0.0396","","","0.0912","0.096","","","","","","1.032","","","","has coordinates","223101","2020-10-21","18:00:00",""
"4034625","12.6698","0.001","12.0237","0.0009","15.1369","0.0011","90","","108.243","0.002","90","","2190","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl F3 N O2 S -","- C22 H23 Cl F3 N O2 S -","- C88 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.1484","0.0724","","","0.1785","0.2178","","","","","","1.045","","","","has coordinates","223102","2020-10-21","18:00:00",""
"4034626","11.1571","0.0002","12.454","0.0002","11.9","0.0002","90","","90.045","0.001","90","","1653.51","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Arutiunov, Nikolai A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Zhao, Zhenze; Du, Liqin; Kornienko, Alexander; Rubin, Michael","Synthesis of Spiro[indole-3,5'-isoxazoles] with Anticancer Activity via a Formal [4 + 1]-Spirocyclization of Nitroalkenes to Indoles.","The Journal of organic chemistry","2019","84","11","7123","7137","10.1021/acs.joc.9b00808","","x-ray","1.54184","CuKα","","0.0483","0.0452","","","0.1197","0.1221","","","","","","1.049","","","","has coordinates","223103","2020-10-21","18:00:00",""
"4034627","20.7396","0.0004","8.9839","0.0002","21.9017","0.0005","90","","90","","90","","4080.78","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Yoshida, Yasushi; Hiroshige, Tomohiko; Omori, Kazuki; Mino, Takashi; Sakamoto, Masami","Chemo- and Regioselective Asymmetric Synthesis of Cyclic Enamides through the Catalytic Umpolung Organocascade Reaction of α-Imino Amides.","The Journal of organic chemistry","2019","84","11","7362","7371","10.1021/acs.joc.9b01036","","","1.54178","CuKα","","0.0419","0.0376","","","0.1037","0.1081","","","","","","1.05","","","","has coordinates","223104","2020-10-21","18:00:00",""
"4034628","14.0004","0.0003","11.9503","0.0003","17.5757","0.0004","90","","107.37","0.0009","90","","2806.47","0.11","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N2 O -","- C34 H36 N2 O -","- C136 H144 N8 O4 -","4","1","","Su, Yingpeng; Zhao, Yanan; Chang, Bingbing; Zhao, Xiaolong; Zhang, Rong; Liu, Xuan; Huang, Danfeng; Wang, Ke-Hu; Huo, Congde; Hu, Yulai","[3 + 2] Cycloaddition of para-Quinone Methides with Nitrile Imines: Approach to Spiro-pyrazoline-cyclohexadienones.","The Journal of organic chemistry","2019","84","11","6719","6728","10.1021/acs.joc.9b00434","","","1.54178","CuKα","","0.0644","0.0621","","","0.1693","0.1725","","","","","","1.065","","","","has coordinates","223105","2020-10-21","18:00:00",""
"4034629","5.566","0.0002","13.8503","0.0005","16.9333","0.0006","90","","91.13","0.001","90","","1305.15","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","","Yi, Fengping; Sun, Qihui; Sun, Jing; Fu, Chao; Yi, Weiyin","Terminal Alkyne-Assisted One-Pot Synthesis of Arylamidines: Carbon Source of the Amidine Group from Oxime Chlorides.","The Journal of organic chemistry","2019","84","11","6780","6787","10.1021/acs.joc.9b00538","","","1.54178","CuKα","","0.0343","0.0314","","","0.0822","0.0843","","","","","","1.086","","","","has coordinates","223106","2020-10-21","18:00:00",""
"4034630","10.3734","0.0005","10.4862","0.0005","16.0455","0.0007","71.411","0.002","82.811","0.003","60.942","0.002","1445.17","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 Cl2 N4 -","- C31 H34 Cl2 N4 -","- C62 H68 Cl4 N8 -","2","1","","Dutta, Ranjan; Samala, Srinivas; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","meso-Bis(ethynyl) Versus meso-Bis(aryl) Calix[4]pyrroles: Dimensionally Well-Modulated Receptors That Can Regulate the Anion Binding Domains.","The Journal of organic chemistry","2019","84","11","6851","6857","10.1021/acs.joc.9b00639","","","0.71073","MoKα","","0.0962","0.0572","","","0.1194","0.1393","","","","","","1.015","","","","has coordinates","223107","2020-10-21","18:00:00",""
"4034631","10.509","0.002","14.05","0.003","14.974","0.003","69.53","0.03","87.69","0.03","81.67","0.03","2049.3","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H54 N4 O Si2 -","- C39 H54 N4 O Si2 -","- C78 H108 N8 O2 Si4 -","2","1","","Dutta, Ranjan; Samala, Srinivas; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","meso-Bis(ethynyl) Versus meso-Bis(aryl) Calix[4]pyrroles: Dimensionally Well-Modulated Receptors That Can Regulate the Anion Binding Domains.","The Journal of organic chemistry","2019","84","11","6851","6857","10.1021/acs.joc.9b00639","","x-ray","0.63","synchrotron","","0.0816","0.071","","","0.2227","0.2346","","","","","","1.087","","","","has coordinates","223108","2020-10-21","18:00:00",""
"4034632","9.1144","0.001","9.4623","0.001","10.9816","0.0012","79.346","0.009","72.139","0.01","65.185","0.011","816.48","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C32 H34 Br2 N4 O8 -","2","1","","Babu, Venkata Nagarjuna; Murugan, Arumugavel; Katta, Narenderreddy; Devatha, Suman; Sharada, Duddu S.","Exocyclic N-Acyliminium Ion (NAI) Cyclization: Access to Fully Substituted Oxazoles and Furocoumarins.","The Journal of organic chemistry","2019","84","11","6631","6641","10.1021/acs.joc.9b00096","","","1.5418","CuKα","","0.0626","0.0453","","","0.1389","0.1473","","","","","","1.179","","","","has coordinates","223109","2020-10-21","18:00:00",""
"4034633","23.969","0.0012","8.5622","0.0004","19.4153","0.0009","90","","128.055","0.001","90","","3137.5","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C152 H128 N32 -","8","1","","Li, Na; Bai, Jinku; Zheng, Xiaolin; Rao, Honghua","Formation of Methylene Linkage for N-Heterocycles: Sequential C-H and C-O Bond Functionalization of Methanol with Cosolvent Water.","The Journal of organic chemistry","2019","84","11","6928","6939","10.1021/acs.joc.9b00729","","","0.71073","MoKα","","0.1009","0.0743","","","0.2006","0.2205","","","","","","1.042","","","","has coordinates","223110","2020-10-21","18:00:00",""
"4034634","9.3487","0.0015","10.2759","0.0016","14.892","0.002","77.916","0.002","79.1443","0.0019","89.242","0.002","1373.4","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H35 B F4 N P S -","- C29 H35 B F4 N P S -","- C58 H70 B2 F8 N2 P2 S2 -","2","1","","Heiss, Tyler K.; Prescher, Jennifer A.","Cyclopropeniminium Ions Exhibit Unique Reactivity Profiles with Bioorthogonal Phosphines.","The Journal of organic chemistry","2019","84","11","7443","7448","10.1021/acs.joc.9b00518","","","0.71073","MoKα","","0.0557","0.0465","","","0.1175","0.1232","","","","","","1.026","","","","has coordinates","223111","2020-10-21","18:00:00",""
"4034635","9.02944","0.00009","10.3803","0.0002","23.2249","0.0002","90","","90","","90","","2176.83","0.05","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-N,N-dimethyl-1-(2-phenylferrocenyl)ethan-1-amine - phenol (1/1)","","- C26 H29 Fe N O -","- C26 H29 Fe N O -","- C104 H116 Fe4 N4 O4 -","4","1","","Plevová, Kristína; Mudráková, Brigita; Rakovský, Erik; Šebesta, Radovan","Diastereoselective Pd-Catalyzed C-H Arylation of Ferrocenylmethanamines with Arylboronic Acids or Pinacol Esters.","The Journal of organic chemistry","2019","84","11","7312","7319","10.1021/acs.joc.9b00953","","","1.54186","CuKα","","0.0309","0.0292","","","0.0699","0.0713","","","","","","1.043","","","","has coordinates","223112","2020-10-21","18:00:00",""
"4034636","12.3322","0.0006","9.6323","0.0005","21.0939","0.001","90","","91.129","0.003","90","","2505.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O5 -","- C32 H28 O5 -","- C128 H112 O20 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.0721","0.0469","","","0.1032","0.1154","","","","","","1.022","","","","has coordinates","223113","2020-10-21","18:00:00",""
"4034637","14.3284","0.0006","16.2797","0.0008","21.9001","0.001","90","","92.092","0.004","90","","5105.1","0.4","100.2","0.9","100.2","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N0 O5 -","- C34 H28 O5 -","- C272 H224 O40 -","8","2","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.2598","0.2366","","","0.5669","0.5761","","","","","","1.101","","","","has coordinates","223114","2020-10-21","18:00:00",""
"4034638","10.8152","0.0018","18.697","0.003","12.86","0.002","90","","96.46","0.003","90","","2583.9","0.7","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cl2 N4 O2 -","- C30 H22 Cl2 N4 O2 -","- C120 H88 Cl8 N16 O8 -","4","1","","Li, Ming; Li, Wei; Lin, Cheng-Dong; Wang, Jia-Hui; Wen, Li-Rong","One Base for Two Shots: Metal-Free Substituent-Controlled Synthesis of Two Kinds of Oxadiazine Derivatives from Alkynylbenziodoxolones and Amidoximes.","The Journal of organic chemistry","2019","84","11","6904","6915","10.1021/acs.joc.9b00659","","","0.71073","MoKα","","0.0601","0.0546","","","0.1111","0.1142","","","","","","1.169","","","","has coordinates","223115","2020-10-21","18:00:00",""
"4034639","12.8072","0.0007","6.0525","0.0004","16.8346","0.0009","90","","91.053","0.005","90","","1304.72","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","x-ray","1.54184","CuKα","","0.0466","0.0428","","","0.111","0.1147","","","","","","1.032","","","","has coordinates","223116","2020-10-21","18:00:00",""
"4034640","11.1472","0.0003","8.8578","0.0002","14.7757","0.0004","90","","101.894","0.003","90","","1427.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl3 N2 O -","- C13 H13 Cl3 N2 O -","- C52 H52 Cl12 N8 O4 -","4","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","","0.71073","MoKα","","0.0426","0.0325","","","0.0686","0.0733","","","","","","1.052","","","","has coordinates","223117","2020-10-21","18:00:00",""
"4034641","8.5663","0.0004","9.2482","0.0004","10.8111","0.0005","105.441","0.004","113.046","0.004","97.005","0.004","734.57","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl3 N2 O3 -","- C13 H13 Cl3 N2 O3 -","- C26 H26 Cl6 N4 O6 -","2","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","","0.71073","MoKα","","0.0255","0.0232","","","0.054","0.0553","","","","","","1.07","","","","has coordinates","223118","2020-10-21","18:00:00",""
"4034642","7.5047","0.0003","9.2211","0.0004","11.4499","0.0006","90.884","0.004","103.956","0.004","95.264","0.004","765.14","0.06","114","2","114","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C36 H34 F2 N4 O2 -","2","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","x-ray","1.54184","CuKα","","0.0497","0.0411","","","0.1097","0.1156","","","","","","1.07","","","","has coordinates","223119","2020-10-21","18:00:00",""
"4034643","6.5779","0.0009","11.3665","0.0014","12.6177","0.0018","64.977","0.013","78.727","0.012","84.893","0.011","838.3","0.2","292.87","0.1","292.87","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 I N2 O2 -","- C18 H15 I N2 O2 -","- C36 H30 I2 N4 O4 -","2","1","","Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai","Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones.","The Journal of organic chemistry","2019","84","11","6946","6961","10.1021/acs.joc.9b00733","","","0.71073","MoKα","","0.0924","0.0593","","","0.1363","0.1671","","","","","","1.084","","","","has coordinates","223120","2020-10-21","18:00:00",""
"4034644","17.28","0.004","7.0153","0.0011","7.3724","0.001","90","","102.57","0.02","90","","872.3","0.3","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai","Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones.","The Journal of organic chemistry","2019","84","11","6946","6961","10.1021/acs.joc.9b00733","","","0.71073","MoKα","","0.0476","0.0442","","","0.1112","0.1152","","","","","","1.103","","","","has coordinates","223121","2020-10-21","18:00:00",""
"4034645","8.3012","0.0003","11.343","0.0004","13.0055","0.0005","93.515","0.002","103.769","0.002","110.518","0.002","1099.77","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N O4 P S -","- C25 H20 N O4 P S -","- C50 H40 N2 O8 P2 S2 -","2","1","","Deng, Chun-Lin; Bard, Jeremy P.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Naphtho[2,1- e]-1,2-azaphosphorine 2-Oxide Derivatives: Synthesis, Optoelectronic Properties, and Self-Dimerization Phenomena.","The Journal of organic chemistry","2019","84","12","8131","8139","10.1021/acs.joc.9b00994","","","1.54178","CuKα","","0.0424","0.037","","","0.0993","0.1039","","","","","","1.029","","","","has coordinates","223122","2020-10-21","18:00:00",""
"4034646","12.7196","0.0006","14.8501","0.0007","15.4304","0.0007","117.135","0.003","106.977","0.003","94.402","0.004","2404.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cl3 N2 O2 P -","- C25 H17 N2 O2 P -","- C100 H68 N8 O8 P4 -","4","2","","Deng, Chun-Lin; Bard, Jeremy P.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Naphtho[2,1- e]-1,2-azaphosphorine 2-Oxide Derivatives: Synthesis, Optoelectronic Properties, and Self-Dimerization Phenomena.","The Journal of organic chemistry","2019","84","12","8131","8139","10.1021/acs.joc.9b00994","","","1.54178","CuKα","","0.1241","0.1027","","","0.2856","0.3052","","","","","","1.115","","","","has coordinates","223123","2020-10-21","18:00:00",""
"4034647","9.2466","0.0002","18.4489","0.0005","20.5607","0.0005","104.176","0.002","99.4171","0.0019","94.7816","0.0019","3326.75","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C177 H123 F9 O33 S3 -","- C177 H123 F9 O33 S3 -","- C177 H123 F9 O33 S3 -","1","0.5","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","A Protonated Quinone Methide Stabilized by a Combination of Partial Aromatization and π-Interaction: Spectroscopic and Crystallographic Analysis.","The Journal of organic chemistry","2019","84","12","8284","8288","10.1021/acs.joc.9b00923","","","0.71073","MoKα","","0.0528","0.0419","","","0.1183","0.1288","","","","","","1.019","","","","has coordinates,has disorder","223124","2020-10-21","18:00:00",""
"4034648","7.9839","0.0004","9.8531","0.0004","15.2245","0.0007","72.988","0.004","89.602","0.004","80.801","0.004","1129.51","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","1","0.5","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","A Protonated Quinone Methide Stabilized by a Combination of Partial Aromatization and π-Interaction: Spectroscopic and Crystallographic Analysis.","The Journal of organic chemistry","2019","84","12","8284","8288","10.1021/acs.joc.9b00923","","","0.71073","MoKα","","0.0636","0.0479","","","0.1066","0.1158","","","","","","1.039","","","","has coordinates,has disorder","223125","2020-10-21","18:00:00",""
"4034649","8.8449","0.0004","18.7623","0.0008","11.3664","0.0005","90","","95.801","0.001","90","","1876.6","0.14","273","0.2","273","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H19 Cl N4 O3 S -","- C17 H19 Cl N4 O3 S -","- C68 H76 Cl4 N16 O12 S4 -","4","2","","Hajra, Saumen; Abu Saleh, S. K.; Hazra, Atanu; Singh, Maya Shankar","Organocatalytic Domino Reaction of Spiroaziridine Oxindoles and Malononitrile for the Enantiopure Synthesis of Spiro[dihydropyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2019","84","12","8194","8201","10.1021/acs.joc.9b01226","","","0.71073","MoKα","","0.0343","0.0339","","","0.0886","0.089","","","","","","1.048","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034650","9.1234","0.0001","16.3488","0.0001","37.5189","0.0003","90","","90","","90","","5596.19","0.08","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O3 -","- C33 H39 N O3 -","- C264 H312 N8 O24 -","8","2","","Yang, Guo-Hui; Zhao, Qun; Zhang, Zhi-Pei; Zheng, Han-Liang; Chen, Li; Li, Xin","Asymmetric Cycloaddition of ortho-Hydroxyphenyl-Substituted para-Quinone Methides and Enamides Catalyzed by Chiral Phosphoric Acid.","The Journal of organic chemistry","2019","84","12","7883","7893","10.1021/acs.joc.9b00749","","x-ray","1.54184","CuKα","","0.0382","0.0355","","","0.0937","0.0958","","","","","","1.046","","","","has coordinates","223127","2020-10-21","18:00:00",""
"4034651","9.7016","0.0003","11.9655","0.0003","20.8347","0.0006","90","","90","","90","","2418.59","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O2 S -","- C26 H37 N O2 S -","- C104 H148 N4 O8 S4 -","4","1","","Kikuchi, Yuki; Nakamura, Chisato; Matsuoka, Mizuki; Asami, Rina; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Sulfonamides through Chiral Palladium-Catalyzed N-Allylation.","The Journal of organic chemistry","2019","84","12","8112","8120","10.1021/acs.joc.9b00989","","","0.71073","MoKα","","0.0345","0.0299","","","0.0766","0.08","","","","","","1.06","","","","has coordinates","223128","2020-10-21","18:00:00",""
"4034652","8.433","0.0005","10.8448","0.0006","12.9749","0.0008","90","","90","","90","","1186.61","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0474","0.0379","","","0.085","0.0904","","","","","","0.914","","","","has coordinates","223129","2020-10-21","18:00:00",""
"4034653","16.7645","0.0009","7.1009","0.0004","15.2474","0.0008","90","","108.694","0.006","90","","1719.34","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O4 -","- C19 H16 N4 O4 -","- C76 H64 N16 O16 -","4","1","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0946","0.0643","","","0.1551","0.1719","","","","","","1.022","","","","has coordinates","223130","2020-10-21","18:00:00",""
"4034654","13.0333","0.0003","6.8004","0.0002","17.1688","0.0004","90","","90","","90","","1521.7","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","0.5","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0421","0.0377","","","0.0935","0.0965","","","","","","1.073","","","","has coordinates","223131","2020-10-21","18:00:00",""
"4034655","8.7124","0.0004","28.1168","0.001","15.7854","0.0005","90","","94.165","0.004","90","","3856.7","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H33 Cl2 F2 N7 O2 Pd -","- C43 H33 Cl2 F2 N7 O2 Pd -","- C172 H132 Cl8 F8 N28 O8 Pd4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0644","0.0471","","","0.0987","0.1102","","","","","","1.043","","","","has coordinates","223132","2020-10-21","18:00:00",""
"4034656","3.9295","0.0004","18.2181","0.0016","10.247","0.001","90","","97.12","0.009","90","","727.91","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.33 H8 N2.67 S1.33 -","- C9.33333 H8 N2.66667 S1.33333 -","- C28 H24 N8 S4 -","3","0.75","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0867","0.0734","","","0.1698","0.1772","","","","","","1.156","","","","has coordinates","223133","2020-10-21","18:00:00",""
"4034657","20.8007","0.0015","14.1869","0.0011","15.5305","0.0014","90","","92.242","0.008","90","","4579.5","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 F2 N6 O2 Pd -","- C45 H30 F2 N6 O2 Pd -","- C180 H120 F8 N24 O8 Pd4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","","0.71073","MoKα","","0.0957","0.065","","","0.1926","0.2454","","","","","","1.08","","","","has coordinates","223134","2020-10-21","18:00:00",""
"4034658","8.2188","0.0005","19.2559","0.0009","6.6689","0.0004","90","","90","","90","","1055.42","0.1","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C32 H20 Cl4 F12 N4 O8 S4 -","8","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.044","0.0369","","","0.088","0.0941","","","","","","1.107","","","","has coordinates","223135","2020-10-21","18:00:00",""
"4034659","11.2985","0.0015","6.4748","0.0009","15.103","0.002","90","","104.709","0.015","90","","1068.7","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.1298","0.0705","","","0.141","0.186","","","","","","1.058","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034660","7.4999","0.0002","10.9169","0.0006","14.4193","0.0007","78.395","0.004","81.878","0.003","82.656","0.003","1138.82","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F5 N S -","- C12 H6 F5 N S -","- C48 H24 F20 N4 S4 -","4","2","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0637","0.0544","","","0.1629","0.1755","","","","","","1.073","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034661","11.3033","0.0007","10.9964","0.0007","17.009","0.001","90","","106.577","0.002","90","","2026.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C84 H80 N8 O16 S4 -","4","1","","Qiu, Jiashen; Wu, Di; Yuan, Lexia; Long, Pingliang; Yin, Hongquan; Chen, Fu-Xue","Organocatalyzed Asymmetric α-Thiocyanation of Oxindoles: Synthesis of Chiral Tertiary 3-Thiocyanatoxindoles.","The Journal of organic chemistry","2019","84","12","7917","7926","10.1021/acs.joc.9b00782","","","0.71073","MoKα","","0.0441","0.0378","","","0.1048","0.1114","","","","","","1.034","","","","has coordinates","223138","2020-10-21","18:00:00",""
"4034662","8.6581","0.001","9.964","0.0012","23.395","0.003","90","","90","","90","","2018.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl N2 O3 S -","- C20 Cl N2 O3 S -","- C80 Cl4 N8 O12 S4 -","4","1","","Qiu, Jiashen; Wu, Di; Yuan, Lexia; Long, Pingliang; Yin, Hongquan; Chen, Fu-Xue","Organocatalyzed Asymmetric α-Thiocyanation of Oxindoles: Synthesis of Chiral Tertiary 3-Thiocyanatoxindoles.","The Journal of organic chemistry","2019","84","12","7917","7926","10.1021/acs.joc.9b00782","","","0.71073","MoKα","","0.0614","0.0539","","","0.1548","0.1666","","","","","","1.097","","","","has coordinates","223139","2020-10-21","18:00:00",""
"4034663","7.3636","0.0008","8.0204","0.0009","18.386","0.002","90.452","0.002","94.406","0.002","105.314","0.002","1043.8","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 S3 -","- C10 H8 S3 -","- C40 H32 S12 -","4","2","","Xu, Hong-Hui; Zhang, Xiao-Hong; Zhang, Xing-Guo","Copper-Catalyzed Tandem Sulfuration/Annulation of Propargylamines with Sulfur via C-N Bond Cleavage.","The Journal of organic chemistry","2019","84","12","7894","7900","10.1021/acs.joc.9b00685","","","0.71073","MoKα","","0.0587","0.0364","","","0.0884","0.1006","","","","","","1.03","","","","has coordinates","223140","2020-10-21","18:00:00",""
"4034664","19.2701","0.0014","8.2426","0.0006","20.874","0.0016","90","","115.56","0.002","90","","2991.1","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 N7 O3 Pd S -","- C32 H35 N7 O3 Pd S -","- C128 H140 N28 O12 Pd4 S4 -","4","1","","Wisniewski, Steven R.; Savage, Scott A.; Romero, Evan O.; Eastgate, Martin D.; Tan, Yichen; Simmons, Eric M.; Plata, R. Erik; Sowa, Jr, John R; Blackmond, Donna G.","Utilizing Native Directing Groups: Mechanistic Understanding of a Direct Arylation Leads to Formation of Tetracyclic Heterocycles via Tandem Intermolecular, Intramolecular C-H Activation.","The Journal of organic chemistry","2019","84","12","7961","7970","10.1021/acs.joc.9b00823","","x-ray","0.71073","MoKα","","0.0749","0.0489","","","0.1258","0.1423","","","","","","1.042","","","","has coordinates","223141","2020-10-21","18:00:00",""
"4034665","15.447","0.003","4.7022","0.0009","16.247","0.003","90","","103.12","0.03","90","","1149.3","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Zhang, Wei; Pan, Yu-Liang; Yang, Chen; Chen, Li; Li, Xin; Cheng, Jin-Pei","Metal-Free Direct C-H Cyanoalkylation of Quinoxalin-2(1 H)-Ones by Organic Photoredox Catalysis.","The Journal of organic chemistry","2019","84","12","7786","7795","10.1021/acs.joc.9b00657","","","0.71073","MoKα","","0.0551","0.0437","","","0.1281","0.1393","","","","","","1.072","","","","has coordinates","223142","2020-10-21","18:00:00",""
"4034666","7.3559","0.0003","15.3767","0.0004","9.9606","0.0004","90","","109.59","0.004","90","","1061.42","0.07","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Chiral Bifunctional Amine-Squaramide-Catalyzed Highly Diastereo- and Enantioselective Michael/Aldol Cascade Reaction of 2-Mercaptobenzaldehyde and α,β-Unsaturated 7-Azaindoline Amides.","The Journal of organic chemistry","2019","84","12","7984","7994","10.1021/acs.joc.9b00837","","","0.71073","MoKα","","0.0468","0.037","","","0.0835","0.0886","","","","","","1.022","","","","has coordinates","223143","2020-10-21","18:00:00",""
"4034667","9.2446","0.0002","11.9262","0.0002","20.0912","0.0004","90","","90","","90","","2215.11","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O2 -","- C26 H22 Br N3 O2 -","- C104 H88 Br4 N12 O8 -","4","1","","Yang, Xiao-Chao; Liu, Meng-Meng; Mathey, François; Yang, Hua; Hua, Yuan-Zhao; Wang, Min-Can","Access to Chiral 2,5-Pyrrolidinyl Dispirooxindoles via Dinuclear Zinc-Catalyzed Asymmetric Cascade Reactions.","The Journal of organic chemistry","2019","84","12","7762","7775","10.1021/acs.joc.9b00645","","x-ray","1.54184","CuKα","","0.0348","0.0317","","","0.0799","0.0824","","","","","","1.038","","","","has coordinates","223144","2020-10-21","18:00:00",""
"4034668","7.8472","0.0002","13.1693","0.0004","15.6331","0.0004","65.377","0.003","82.399","0.003","87.32","0.003","1455.69","0.08","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N6 O2 -","- C34 H40 N6 O2 -","- C68 H80 N12 O4 -","2","1","","Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.","Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.","The Journal of organic chemistry","2019","84","12","7804","7814","10.1021/acs.joc.9b00603","","","1.54184","CuKα","","0.0403","0.036","","","0.0917","0.0953","","","","","","1.041","","","","has coordinates","223145","2020-10-21","18:00:00",""
"4034669","19.1887","0.0003","7.82212","0.00014","43.4449","0.0007","90","","93.6972","0.0014","90","","6507.35","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 B2 F4 N6 O2 -","- C34 H38 B2 F4 N6 O2 -","- C272 H304 B16 F32 N48 O16 -","8","4","","Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.","Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.","The Journal of organic chemistry","2019","84","12","7804","7814","10.1021/acs.joc.9b00603","","","1.54184","CuKα","","0.0377","0.0357","","","0.0924","0.0941","","","","","","1.028","","","","has coordinates,has disorder","223145","2020-10-21","18:00:00",""
"4034670","8.7072","0.0001","15.9416","0.0002","18.7685","0.0003","90","","90","","90","","2605.19","0.06","170","2","169.91","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C120 H140 N4 O12 -","4","1","","Wang, Jin-Rong; Jiang, Xiao-Li; Hang, Qing-Qing; Zhang, Shu; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Conjugate Addition of Indoles to para-Quinone Methide Derivatives.","The Journal of organic chemistry","2019","84","12","7829","7839","10.1021/acs.joc.9b00710","","","1.34139","GaKα","","0.0401","0.0349","","","0.0821","0.0858","","","","","","1.07","","","","has coordinates","223146","2020-10-21","18:00:00",""
"4034671","9.206","0.007","10.422","0.009","13.489","0.011","70.7","0.03","86.07","0.03","64.49","0.04","1098.2","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-(1S,3R,6R)-7,9-Dimethoxy-5,6-dimethyl-1,3-diphenyl-1,3,4,6-tetrahydroindeno[7,1-cd]oxepine","","- C28 H28 O3 -","- C28 H28 O3 -","- C56 H56 O6 -","2","1","","Mahesh, S. K.; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","Tandem Addition/Electrocyclization/Benzylation of Alkyl Aryl-1,3-dienes and Aromatic Aldehydes: Access to Highly Substituted Indenes.","The Journal of organic chemistry","2019","84","12","7815","7828","10.1021/acs.joc.9b00679","","","0.71073","MoKα","","0.0674","0.052","","","0.1573","0.1722","","","","","","1.243","","","","has coordinates","223147","2020-10-21","18:00:00",""
"4034672","7.8869","0.0004","9.3365","0.0005","19.477","0.0011","81.863","0.002","80.9818","0.0017","65.5329","0.0017","1284.59","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±)-(1S,3R,6R)-1,3-Bis(2,6-dichlorophenyl)-7,9-dimethoxy-5,6-dimethyl-1,3,4,6-tetrahydroindeno[7,1-cd]oxepine","","- C28 H24 Cl4 O3 -","- C28 H24 Cl4 O3 -","- C56 H48 Cl8 O6 -","2","1","","Mahesh, S. K.; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","Tandem Addition/Electrocyclization/Benzylation of Alkyl Aryl-1,3-dienes and Aromatic Aldehydes: Access to Highly Substituted Indenes.","The Journal of organic chemistry","2019","84","12","7815","7828","10.1021/acs.joc.9b00679","","","0.71073","MoKα","","0.1044","0.0593","","","0.1451","0.1678","","","","","","1.024","","","","has coordinates","223148","2020-10-21","18:00:00",""
"4034673","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","223149","2020-10-21","18:00:00",""
"4034674","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","223150","2020-10-21","18:00:00",""
"4034675","6.6417","0.0003","10.7582","0.0005","22.9878","0.0011","90","","90","","90","","1642.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23.76 Cl0.24 O5 -","- C19 H23.757 Cl0.243 O5 -","- C76 H95.028 Cl0.972 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0351","0.0336","","","0.0822","0.0831","","","","","","1.002","","","","has coordinates,has disorder","223151","2020-10-21","18:00:00",""
"4034676","8.4827","0.0002","11.6842","0.0003","20.2986","0.0005","90","","93.727","0.002","90","","2007.61","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Thorve, Pradip Ramdas; Guru, Murali Mohan; Maji, Biplab","Manganese-Catalyzed Divergent Markovnikov Addition and [2+2+2] Cycloaddition of 2-Carbonyl Indanone with Terminal Alkyne.","The Journal of organic chemistry","2019","84","12","8185","8193","10.1021/acs.joc.9b01173","","x-ray","0.71073","MoKα","","0.052","0.0444","","","0.1033","0.1074","","","","","","1.069","","","","has coordinates","223152","2020-10-21","18:00:00",""
"4034677","10.06","0.009","19.154","0.018","10.988","0.01","90","","92.904","0.012","90","","2115","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 S2 -","- C23 H20 N2 O2 S2 -","- C92 H80 N8 O8 S8 -","4","1","","Xiao, Xinsheng; Huang, Sanping; Tang, Shanshan; Jia, Guokai; Ou, Guangchuan; Li, Yangyan","Ligand-Free, Quinoline N-Assisted Copper-Catalyzed Nitrene Transfer Reaction To Synthesize 8-Quinolylsulfimides.","The Journal of organic chemistry","2019","84","12","7618","7629","10.1021/acs.joc.9b00281","","","0.71073","MoKα","","0.088","0.0447","","","0.1237","0.1599","","","","","","1.07","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034678","10.6007","0.0003","11.6604","0.0003","12.0513","0.0003","108.277","0.001","103.559","0.0012","92.6408","0.001","1363.48","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O3 S -","- C32 H32 N2 O3 S -","- C64 H64 N4 O6 S2 -","2","1","","Rajasekar, Shanmugam; Anbarasan, Pazhamalai","One-Pot Transannulation of N-Sulfonyl-1,2,3-triazoles to Dihydro-β-carbolines and Dihydroisoquinolines via Rhodium-Catalyzed C-H Insertion-cum-Base-Mediated Aza-Michael Reaction.","The Journal of organic chemistry","2019","84","12","7747","7761","10.1021/acs.joc.9b00644","","x-ray","0.71073","MoKα","","0.06","0.0414","","","0.1007","0.1123","","","","","","1.041","","","","has coordinates","223154","2020-10-21","18:00:00",""
"4034679","16.0521","0.0004","8.5382","0.0002","20.395","0.0005","90","","112.092","0.001","90","","2590.03","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O4 S -","- C29 H28 N2 O4 S -","- C116 H112 N8 O16 S4 -","4","1","","Rajasekar, Shanmugam; Anbarasan, Pazhamalai","One-Pot Transannulation of N-Sulfonyl-1,2,3-triazoles to Dihydro-β-carbolines and Dihydroisoquinolines via Rhodium-Catalyzed C-H Insertion-cum-Base-Mediated Aza-Michael Reaction.","The Journal of organic chemistry","2019","84","12","7747","7761","10.1021/acs.joc.9b00644","","","0.71073","MoKα","","0.0772","0.0512","","","0.1246","0.1463","","","","","","1.029","","","","has coordinates","223155","2020-10-21","18:00:00",""
"4035879","5.7871","0.0002","13.5493","0.0006","16.8357","0.0006","90","","90","","90","","1320.11","0.09","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br F3 N O3 -","- C11 H11 Br F3 N O3 -","- C44 H44 Br4 F12 N4 O12 -","4","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0829","0.0432","","","0.0916","0.1144","","","","","","0.896","","","","has coordinates","227287","2020-10-21","18:00:00",""
"4035880","8.7236","0.0005","11.9043","0.0004","8.7256","0.0004","90","","118.539","0.007","90","","796.04","0.08","200","1","200","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 Br F3 N O3 -","- C15 H15 Br F3 N O3 -","- C30 H30 Br2 F6 N2 O6 -","2","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0395","0.0336","","","0.0766","0.0835","","","","","","0.813","","","","has coordinates","227288","2020-10-21","18:00:00",""
"4035881","6.3688","0.0001","12.2935","0.0002","21.2458","0.0004","90","","90","","90","","1663.44","0.05","170","2","169.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.046","0.0423","","","0.1025","0.1062","","","","","","1.095","","","","has coordinates","227289","2020-10-21","18:00:00",""
"4035882","13.2915","0.0003","7.2927","0.0002","17.9828","0.0005","90","","106.01","0.001","90","","1675.48","0.08","170","2","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.0334","0.0315","","","0.0778","0.0794","","","","","","1.051","","","","has coordinates","227290","2020-10-21","18:00:00",""
"4035883","16.8548","0.0008","12.1664","0.0006","5.1458","0.0002","90","","90","","90","","1055.21","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0361","0.0339","","","0.0856","0.0871","","","","","","1.119","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035884","8.0534","0.0004","19.6802","0.001","7.3808","0.0004","90","","98.57","0.003","90","","1156.74","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br N O2 -","- C14 H8 Br N O2 -","- C56 H32 Br4 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0335","0.028","","","0.0667","0.0696","","","","","","1.092","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035885","20.0319","0.0011","5.2142","0.0003","12.3896","0.0007","90","","92.388","0.003","90","","1292.97","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0547","0.0416","","","0.0979","0.1064","","","","","","1.037","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035886","12.5941","0.0015","14.2233","0.0018","7.5547","0.0009","90","","104.868","0.003","90","","1308","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F N O2 -","- C18 H10 F N O2 -","- C72 H40 F4 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0808","0.0627","","","0.1722","0.1893","","","","","","1.055","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035887","24.8334","0.0013","5.7013","0.0003","7.5769","0.0004","90","","90","","90","","1072.76","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H7 F2 N O2 -","- C14 H7 F2 N O2 -","- C56 H28 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0322","0.0277","","","0.0632","0.0657","","","","","","1.029","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035888","7.4945","0.0009","29.594","0.004","5.8859","0.0007","90","","90","","90","","1305.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H9 F2 N O2 -","- C18 H9 F2 N O2 -","- C72 H36 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.035","0.0328","","","0.0861","0.0872","","","","","","1.129","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035889","15.8917","0.0006","12.4954","0.0004","10.8866","0.0003","90","","90","","90","","2161.79","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Br N O4 S -","- C25 H18 Br N O4 S -","- C100 H72 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0235","0.0211","","","0.052","0.0526","","","","","","1.078","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035890","18.3082","0.0012","7.4274","0.0004","15.82","0.0011","90","","105.707","0.002","90","","2070.9","0.2","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 F N2 O2 -","- C28 H17 F N2 O2 -","- C112 H68 F4 N8 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0633","0.0436","","","0.1143","0.1324","","","","","","1.078","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035891","22.6011","0.0014","22.6011","0.0014","16.3728","0.0012","90","","90","","90","","8363.4","1","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C448 H384 N32 -","16","1","","Mallick, Sudesh; Maddala, Sudhakar; Kollimalayan, Kalidass; Venkatakrishnan, Parthasarathy","Oxidative Coupling of Carbazoles: A Substituent-Governed Regioselectivity Profile.","The Journal of organic chemistry","2019","84","1","73","93","10.1021/acs.joc.8b02322","","","0.71073","MoKα","","0.0645","0.0489","","","0.124","0.1357","","","","","","1.03","","","","has coordinates","227292","2020-10-21","18:00:00",""
"4035892","7.5531","0.0003","14.3982","0.0006","13.9311","0.0006","90","","90.1024","0.0019","90","","1515.02","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N -","- C18 H19 Br N -","- C72 H76 Br4 N4 -","4","1","","Mallick, Sudesh; Maddala, Sudhakar; Kollimalayan, Kalidass; Venkatakrishnan, Parthasarathy","Oxidative Coupling of Carbazoles: A Substituent-Governed Regioselectivity Profile.","The Journal of organic chemistry","2019","84","1","73","93","10.1021/acs.joc.8b02322","","","0.71073","MoKα","","0.0469","0.0319","","","0.0791","0.0859","","","","","","1.045","","","","has coordinates","227293","2020-10-21","18:00:00",""
"4035893","15.4188","0.0003","5.0091","0.0001","20.2178","0.0003","90","","99.157","0.002","90","","1541.61","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 I2 N O S -","- C14 H11 I2 N O S -","- C56 H44 I8 N4 O4 S4 -","4","1","","Ma, Yan-Na; Bian, Yajing; Liu, Xin; Zhang, Jie; Chen, Xuenian","One-Pot Synthesis of Iodo-Dibenzothiazines from 2-Biaryl Sulfides.","The Journal of organic chemistry","2019","84","1","450","457","10.1021/acs.joc.8b02729","","x-ray","1.54184","CuKα","","0.0765","0.0598","","","0.1587","0.1688","","","","","","1.054","","","","has coordinates","227294","2020-10-21","18:00:00",""
"4035894","5.0756","0.0001","16.2147","0.0003","15.4288","0.0002","90","","96.518","0.002","90","","1261.57","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 I N O S -","- C13 H10 I N O S -","- C52 H40 I4 N4 O4 S4 -","4","1","","Ma, Yan-Na; Bian, Yajing; Liu, Xin; Zhang, Jie; Chen, Xuenian","One-Pot Synthesis of Iodo-Dibenzothiazines from 2-Biaryl Sulfides.","The Journal of organic chemistry","2019","84","1","450","457","10.1021/acs.joc.8b02729","","x-ray","1.54184","CuKα","","0.0455","0.0422","","","0.1214","0.1252","","","","","","1.077","","","","has coordinates","227295","2020-10-21","18:00:00",""
"4035895","11.0122","0.0002","12.6075","0.0002","20.4557","0.0003","75.1","0.001","81.569","0.001","64.963","0.001","2484.3","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O8 -","- C30 H26 O8 -","- C120 H104 O32 -","4","2","","Dam, Jean; Bode, Moira L.; de Koning, Charles B.","Ceric Ammonium Sulfate (CAS) Mediated Oxidations of Benzophenones Possessing a Phenolic Substituent for the Synthesis of Xanthones and Related Products.","The Journal of organic chemistry","2019","84","1","150","160","10.1021/acs.joc.8b02503","","","0.71073","MoKα","","0.0658","0.039","","","0.0999","0.1128","","","","","","1.061","","","","has coordinates","227296","2020-10-21","18:00:00",""
"4035896","7.0221","0.001","19.019","0.003","19.187","0.003","90","","90","","90","","2562.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition.","The Journal of organic chemistry","2019","84","1","104","119","10.1021/acs.joc.8b02377","","","0.71073","MoKα","","0.1453","0.0629","","","0.1278","0.1658","","","","","","1.031","","","","has coordinates","227297","2020-10-21","18:00:00",""
"4035897","6.1027","0.0005","8.5357","0.0009","10.175","0.0011","112.463","0.01","95.209","0.009","99.616","0.008","475.92","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 Cl N2 O2 -","- C9 H7 Cl N2 O2 -","- C18 H14 Cl2 N4 O4 -","2","1","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition.","The Journal of organic chemistry","2019","84","1","104","119","10.1021/acs.joc.8b02377","","","0.7107","MoKα","","0.0636","0.0423","","","0.1003","0.1128","","","","","","1.026","","","","has coordinates","227297","2020-10-21","18:00:00",""
"4035898","13.5965","0.0005","10.4773","0.0004","8.6767","0.0004","90","","90","","90","","1236.04","0.09","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C56 H68 Cl4 N8 -","4","0.5","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","","0.71075","MoKα","","0.038","0.0347","","","0.085","0.0882","","","","","","1.127","","","","has coordinates","227298","2020-10-21","18:00:00",""
"4035899","11.2159","0.0003","12.4494","0.0004","12.6863","0.0005","71.2729","0.0009","77.0254","0.001","69.4681","0.0009","1558.5","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C76 H76 Cl4 N8 -","4","2","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","","0.71075","MoKα","","0.0482","0.0445","","","0.1297","0.1334","","","","","","1.153","","","","has coordinates","227298","2020-10-21","18:00:00",""
"4035900","14.0029","0.0003","13.7401","0.0003","14.1052","0.0003","90","","90","","90","","2713.86","0.1","98","","98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","RM4010","","- C14 H16 Ag Cl N2 -","- C14 H16 Ag Cl N2 -","- C112 H128 Ag8 Cl8 N16 -","8","1","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","x-ray","0.71075","MoKα","","0.0439","0.0413","","","0.1067","0.1078","","","","","","1.276","","","","has coordinates","275143","2022-05-06","20:26:43",""
"4035901","68.03","0.09","22.65","0.03","10.235","0.006","90","","90","","90","","15771","3","150","2","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C53 H38 N2 O S -","- C53 H38 N2 O S -","- C848 H608 N32 O16 S16 -","16","1","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of Unsymmetrical Heterobenzisapphyrins.","The Journal of organic chemistry","2019","84","1","417","422","10.1021/acs.joc.8b02616","","x-ray","0.71073","MoKα","","0.159","0.105","","","0.2398","0.2863","","","","","","1.028","","","","has coordinates","227301","2020-10-21","18:00:00",""
"4035902","5.6856","0.0001","15.7385","0.0003","29.0307","0.0005","90","","94.9272","0.0009","90","","2588.15","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","1","","Aboussafy, Claude Larrivée; Andersen Gersby, Lotte Bettina; Molinaro, Antonio; Newman, Mari-Anne; Lowary, Todd L.","A Convergent Route to Enantiomers of the Bicyclic Monosaccharide Bradyrhizose Leads to Insight into the Bioactivity of an Immunologically Silent Lipopolysaccharide.","The Journal of organic chemistry","2019","84","1","14","41","10.1021/acs.joc.8b02206","","","1.54178","CuKα","","0.0543","0.0521","","","0.1269","0.1283","","","","","","1.101","","","","has coordinates","227302","2020-10-21","18:00:00",""
"4035903","6.0738","0.0005","31.982","0.002","10.2483","0.0008","90","","102.879","0.005","90","","1940.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Aboussafy, Claude Larrivée; Andersen Gersby, Lotte Bettina; Molinaro, Antonio; Newman, Mari-Anne; Lowary, Todd L.","A Convergent Route to Enantiomers of the Bicyclic Monosaccharide Bradyrhizose Leads to Insight into the Bioactivity of an Immunologically Silent Lipopolysaccharide.","The Journal of organic chemistry","2019","84","1","14","41","10.1021/acs.joc.8b02206","","","1.54178","CuKα","","0.096","0.0682","","","0.1884","0.2117","","","","","","0.987","","","","has coordinates","227303","2020-10-21","18:00:00",""
"4035904","10.01","0.003","17.046","0.003","23.122","0.004","90.035","0.004","95.751","0.004","104.451","0.004","3799.9","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H37.75 Cl9 F20 N8 O9.38 Os2 Zn -","- C69 H37.74 Cl9 F20 N8 O9.37 Os2 Zn -","- C138 H75.48 Cl18 F40 N16 O18.74 Os4 Zn2 -","2","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.0887","0.0659","","","0.1603","0.1691","","","","","","1.057","","","","has coordinates,has disorder","227304","2020-10-21","18:00:00",""
"4035905","12.6745","0.0006","12.0132","0.0005","26.3857","0.0011","90","","99.5245","0.0017","90","","3962.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H8 Cl2 F20 N4 O4 -","- C43 H8 Cl2 F20 N4 O4 -","- C172 H32 Cl8 F80 N16 O16 -","4","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.0666","0.0615","","","0.1374","0.1398","","","","","","1.187","","","","has coordinates,has disorder","227305","2020-10-21","18:00:00",""
"4035906","22.412","0.004","21.631","0.004","30.193","0.005","90","","90","","90","","14637","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C568 H352 Cl48 F160 N64 O64 Os16 -","8","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1639","0.0971","","","0.2096","0.2435","","","","","","1.07","","","","has coordinates","227306","2020-10-21","18:00:00",""
"4035907","13.336","0.019","15.94","0.02","16.02","0.02","63.58","0.03","87.24","0.03","88.56","0.03","3046","7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H26 Cl3 F20 N6 O6 Os -","- C57 H26 Cl3 F20 N6 O6 Os -","- C114 H52 Cl6 F40 N12 O12 Os2 -","2","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.231","0.1458","","","0.3733","0.4484","","","","","","1.057","","","","has coordinates,has disorder","227307","2020-10-21","18:00:00",""
"4035908","28.859","0.002","49.537","0.003","12.0811","0.0007","90","","90","","90","","17271","1.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45.59 H13.97 Cl2.41 F20 N4 O4 -","- C45.588 H13.97 Cl2.412 F20 N4 O4 -","- C729.408 H223.52 Cl38.592 F320 N64 O64 -","16","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.086","0.0691","","","0.181","0.1974","","","","","","1.066","","","","has coordinates,has disorder","227308","2020-10-21","18:00:00",""
"4035909","13.33","0.004","16.128","0.005","16.174","0.005","115.91","0.004","90.019","0.005","92.124","0.005","3125","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H59 Cl15 F40 N12 O8 Os2 -","- C119 H59 Cl15 F40 N12 O8 Os2 -","- C119 H59 Cl15 F40 N12 O8 Os2 -","1","0.5","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1234","0.0992","","","0.2531","0.2812","","","","","","1.036","","","","has coordinates,has disorder","227309","2020-10-21","18:00:00",""
"4035910","7.3869","0.0004","7.8823","0.0005","16.1317","0.0009","90","","96.726","0.005","90","","932.82","0.09","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl F2 N3 O2 -","- C19 H20 Cl F2 N3 O2 -","- C38 H40 Cl2 F4 N6 O4 -","2","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","","0.71073","MoKα","","0.0812","0.0557","","","0.0932","0.1188","","","","","","1.055","","","","has coordinates","227310","2020-10-21","18:00:00",""
"4035911","7.00151","0.00015","9.9401","0.0003","29.1848","0.0008","90","","90","","90","","2031.14","0.09","293.19","0.1","293.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 O3 -","- C23 H22 F N3 O3 -","- C92 H88 F4 N12 O12 -","4","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","x-ray","1.54184","CuKα","","0.0395","0.0354","","","0.0873","0.0911","","","","","","1.044","","","","has coordinates","227311","2020-10-21","18:00:00",""
"4035912","6.9619","0.0014","9.2892","0.0019","15.045","0.004","93.627","0.018","99.834","0.018","93.558","0.016","954.1","0.4","291.93","0.1","291.93","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O3 -","- C22 H19 F N2 O3 -","- C44 H38 F2 N4 O6 -","2","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","","0.71073","MoKα","","0.1196","0.061","","","0.1192","0.1625","","","","","","1.035","","","","has coordinates","227312","2020-10-21","18:00:00",""
"4035913","7.4505","0.0006","11.269","0.0009","31.662","0.002","90","","90","","90","","2658.3","0.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","1","","An, Hejun; Mai, Shaoyu; Xuan, Qingqing; Zhou, Yao; Song, Qiuling","Gold-Catalyzed Radical-Involved Intramolecular Cyclization of Internal N-Propargylamides for the Construction of 5-Oxazole Ketones.","The Journal of organic chemistry","2019","84","1","401","408","10.1021/acs.joc.8b02334","","x-ray","0.71073","MoKα","","0.0846","0.0586","","","0.1342","0.169","","","","","","0.9801","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035914","19.469","0.01","9.394","0.005","20.403","0.011","90","","92.166","0.009","90","","3729","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N -","- C25 H16 F3 N -","- C200 H128 F24 N8 -","8","2","","Zhang, Tao; Chen, Fan; Zhang, Xiao-Hong; Qian, Peng-Cheng; Zhang, Xing-Guo","Palladium-Catalyzed Tandem Carbocyclization and Hetroarylation for the Synthesis of 2-(Trifluoromethyl)indenylmethyleneindoles.","The Journal of organic chemistry","2019","84","1","307","313","10.1021/acs.joc.8b02781","","","0.71073","MoKα","","0.0717","0.0503","","","0.1599","0.1863","","","","","","1.085","","","","has coordinates","227314","2020-10-21","18:00:00",""
"4035915","6.4521","0.0004","10.1091","0.0006","21.6537","0.0012","90","","90","","90","","1412.36","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0311","0.0289","","","0.0701","0.0714","","","","","","1.058","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035916","8.8548","0.0005","10.0501","0.0006","20.0035","0.0012","90","","101.423","0.002","90","","1744.88","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F O3 S -","- C22 H17 F O3 S -","- C88 H68 F4 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0355","0.0308","","","0.0781","0.0811","","","","","","1.034","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035917","7.0055","0.0013","10.701","0.002","13.367","0.003","71.146","0.007","75.076","0.006","85.59","0.007","916.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C46 H40 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0782","0.05","","","0.1189","0.1321","","","","","","1.028","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035918","12.756","0.004","8.772","0.003","19.326","0.006","90","","106.925","0.013","90","","2068.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C100 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0579","0.0438","","","0.1056","0.1156","","","","","","1.025","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035919","8.524","0.0016","10.785","0.002","12.112","0.002","110.385","0.006","97.83","0.006","98.906","0.006","1009.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 O3 S -","- C27 H22 O3 S -","- C54 H44 O6 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0854","0.0528","","","0.1341","0.1489","","","","","","1.085","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035920","8.5464","0.0003","9.709","0.0004","11.3017","0.0004","66.561","0.004","85.785","0.003","69.576","0.003","803.98","0.06","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Jing, Kun; Wang, Xiang-Nan; Wang, Guan-Wu","Diastereoselective Synthesis of Oxazoloisoindolinones via Cascade Pd-Catalyzed ortho-Acylation of N-Benzoyl α-Amino Acid Derivatives and Subsequent Double Intramolecular Cyclizations.","The Journal of organic chemistry","2019","84","1","161","172","10.1021/acs.joc.8b02509","","","1.54184","CuKα","","0.0592","0.0559","","","0.1474","0.1506","","","","","","1.056","","","","has coordinates,has disorder","227316","2020-10-21","18:00:00",""
"4035921","13.3398","0.0001","9.9841","0.0001","25.3045","0.0002","90","","96.555","0.001","90","","3348.17","0.05","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Jing, Kun; Wang, Xiang-Nan; Wang, Guan-Wu","Diastereoselective Synthesis of Oxazoloisoindolinones via Cascade Pd-Catalyzed ortho-Acylation of N-Benzoyl α-Amino Acid Derivatives and Subsequent Double Intramolecular Cyclizations.","The Journal of organic chemistry","2019","84","1","161","172","10.1021/acs.joc.8b02509","","","1.54184","CuKα","","0.0455","0.0447","","","0.1173","0.118","","","","","","1.079","","","","has coordinates","227317","2020-10-21","18:00:00",""
"4035922","48.0321","0.0015","10.6191","0.0002","14.3112","0.0005","90","","98.054","0.003","90","","7227.5","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H98 N4 O6 S4 Si4 -","- C58 H98 N4 O6 S4 Si4 -","- C232 H392 N16 O24 S16 Si16 -","4","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.066","0.0401","","","0.0984","0.1077","","","","","","0.969","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035923","7.368","0.002","19.751","0.006","19.406","0.006","90","","98.02","0.009","90","","2796.4","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O6 S2 -","- C26 H32 N4 O6 S2 -","- C104 H128 N16 O24 S8 -","4","1","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1783","0.1178","","","0.3015","0.3472","","","","","","1.027","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035924","10.3012","0.0007","11.484","0.0009","12.611","0.0009","81.906","0.006","72.145","0.006","68.197","0.006","1317.82","0.18","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O4 S2 -","- C26 H32 N4 O4 S2 -","- C52 H64 N8 O8 S4 -","2","1","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1052","0.0528","","","0.1139","0.1356","","","","","","1.017","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035925","16.173","0.008","6.265","0.003","16.682","0.008","90","","102.457","0.009","90","","1650.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N4 O6 S4 -","- C34 H36 N4 O6 S4 -","- C68 H72 N8 O12 S8 -","2","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1522","0.0768","","","0.1453","0.1724","","","","","","0.998","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035926","7.9063","0.0009","8.9584","0.0007","7.9434","0.001","90","","99.907","0.009","90","","554.22","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.0313","0.0286","","","0.0768","0.0788","","","","","","1.049","","","","has coordinates","227319","2020-10-21","18:00:00",""
"4035927","10.21201","0.00018","8.56525","0.00017","13.5471","0.0003","90","","93.5862","0.0017","90","","1182.62","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N3 O5 S -","- C25 H20 F3 N3 O5 S -","- C50 H40 F6 N6 O10 S2 -","2","1","","Wang, Cong; Li, Nan; Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Asymmetric Michael Addition of 2-Acetyl Azaarenes to β-CF<sub>3</sub>-β-(3-indolyl)nitroalkenes Catalyzed by a Cobalt(II)/(imidazoline-oxazoline) Complex.","The Journal of organic chemistry","2019","84","1","191","203","10.1021/acs.joc.8b02601","","x-ray","1.54184","CuKα","","0.0368","0.0351","","","0.0917","0.0941","","","","","","1.059","","","","has coordinates","227320","2020-10-21","18:00:00",""
"4035928","13.6805","0.0016","9.6013","0.0011","18.12","0.002","90","","107.042","0.003","90","","2275.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Br2 Cl2 O2 -","- C25 H16 Br2 Cl2 O2 -","- C100 H64 Br8 Cl8 O8 -","4","1","","Chai, Guo-Li; Zhu, Bo; Chang, Junbiao","Synthesis and Application of Substituted 1,16-Dihydroxytetraphenylenes in Catalytic Asymmetric Allylboration of Ketones.","The Journal of organic chemistry","2019","84","1","120","127","10.1021/acs.joc.8b02475","","","0.71073","MoKα","","0.1015","0.0549","","","0.1283","0.1488","","","","","","1.039","","","","has coordinates","227321","2020-10-21","18:00:00",""
"4035929","22.832","0.008","13.024","0.005","20.26","0.008","90","","104.866","0.007","90","","5823","4","293","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Br2 O2 -","- C24 H12 Br2 O2 -","- C288 H144 Br24 O24 -","12","1.5","","Chai, Guo-Li; Zhu, Bo; Chang, Junbiao","Synthesis and Application of Substituted 1,16-Dihydroxytetraphenylenes in Catalytic Asymmetric Allylboration of Ketones.","The Journal of organic chemistry","2019","84","1","120","127","10.1021/acs.joc.8b02475","","","0.71073","MoKα","","0.1995","0.061","","","0.1031","0.1378","","","","","","0.957","","","","has coordinates","227322","2020-10-21","18:00:00",""
"4035930","6.1289","0.0001","9.1873","0.0002","18.5609","0.0003","90","","97.518","0.001","90","","1036.14","0.03","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O8 -","- C22 H30 O8 -","- C44 H60 O16 -","2","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0474","0.0403","","","0.0939","0.0979","","","","","","1.055","","","","has coordinates","227323","2020-10-21","18:00:00",""
"4035931","33.1345","0.0005","5.7877","0.0001","10.7579","0.0002","90","","92.181","0.001","90","","2061.58","0.06","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0416","0.0367","","","0.0909","0.0945","","","","","","1.029","","","","has coordinates","227324","2020-10-21","18:00:00",""
"4035932","6.4833","0.0002","18.1783","0.0006","13.2669","0.0004","90","","101.976","0.001","90","","1529.54","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl6 O2 Sb -","- C9 H9 Cl6 O2 Sb -","- C36 H36 Cl24 O8 Sb4 -","4","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.017","0.0165","","","0.0371","0.0373","","","","","","1.242","","","","has coordinates","227325","2020-10-21","18:00:00",""
"4035933","9.8238","0.0009","19.393","0.0017","9.8685","0.0009","90","","94.8734","0.0012","90","","1873.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl6 N O3 Sb -","- C11 H14 Cl6 N O3 Sb -","- C44 H56 Cl24 N4 O12 Sb4 -","4","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0186","0.0175","","","0.0418","0.0424","","","","","","1.13","","","","has coordinates","227326","2020-10-21","18:00:00",""
"4035934","13.4466","0.0003","9.1948","0.0002","17.3481","0.0004","90","","90","","90","","2144.9","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0406","0.0319","","","0.0783","0.0842","","","","","","1.025","","","","has coordinates","227327","2020-10-21","18:00:00",""
"4035935","18.3837","0.0006","7.0496","0.0002","24.2591","0.0007","90","","93.266","0.001","90","","3138.82","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl6 O2 Sb -","- C9 H9 Cl6 O2 Sb -","- C72 H72 Cl48 O16 Sb8 -","8","2","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0456","0.0284","","","0.0551","0.0604","","","","","","1.035","","","","has coordinates","227328","2020-10-21","18:00:00",""
"4035936","5.81","0.003","10.115","0.006","25.579","0.014","90","","90","","90","","1503.2","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Br F O5 -","- C13 H19 Br F O5 -","- C52 H76 Br4 F4 O20 -","4","1","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.119","0.0475","","","0.0585","0.0694","","","","","","0.783","","","","has coordinates","227329","2020-10-21","18:00:00",""
"4035937","17.659","0.0015","17.659","0.0015","14.3682","0.0012","90","","90","","90","","4480.6","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C9 H10 Br F N2 O5 -","- C9 H10 Br F N2 O5 -","- C144 H160 Br16 F16 N32 O80 -","16","2","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.0199","0.0179","","","0.0439","0.0443","","","","","","1.021","","","","has coordinates","264242","2021-04-16","08:49:21",""
"4035938","8.846","0.0006","10.5118","0.0007","20.6078","0.0014","90","","90","","90","","1916.3","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-3-((triisopropylsilyl)ethynyl)dihydro-furan-2(3H)-one","","- C17 H30 O4 Si -","- C17 H30 O4 Si -","- C68 H120 O16 Si4 -","4","1","","Zhong, Yong-Li; Cleator, Ed; Liu, Zhijian; Yin, Jianguo; Morris, William J.; Alam, Mahbub; Bishop, Brian; Dumas, Aaron M.; Edwards, John; Goodyear, Adrian; Mullens, Peter; Song, Zhiguo Jake; Shevlin, Michael; Thaisrivongs, David A.; Li, Hongming; Sherer, Edward C.; Cohen, Ryan D.; Yin, Jingjun; Tan, Lushi; Yasuda, Nobuyoshi; Limanto, John; Davies, Antony; Campos, Kevin R.","Highly Diastereoselective Synthesis of a HCV NS5B Nucleoside Polymerase Inhibitor.","The Journal of organic chemistry","2019","84","8","4780","4795","10.1021/acs.joc.8b02500","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0554","0.0555","","","","","","1.042","","","","has coordinates","227331","2020-10-21","18:00:00",""
"4035939","42.959","0.006","12.0548","0.0017","8.2298","0.0016","90","","90.61","0.006","90","","4261.7","1.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20.5 H18 F4 N5 O2 S -","- C20.5 H18 F4 N5 O2 S -","- C164 H144 F32 N40 O16 S8 -","8","2","","Oguma, Takuya; Anan, Kosuke; Suzuki, Shinji; Hisakawa, Shinya; Takada, Akihiro; Ogawa, Masayoshi; Kusakabe, Ken-Ichi","Synthesis of a 6-CF<sub>3</sub>-Substituted 2-Amino-dihydro-1,3-thiazine β-Secretase Inhibitor by N, N-Diethylaminosulfur Trifluoride-Mediated Chemoselective Cyclization.","The Journal of organic chemistry","2019","84","8","4893","4897","10.1021/acs.joc.8b02179","","","1.54187","CuKα","","0.064","0.0627","","","0.1703","0.1709","","","","","","1.079","","","","has coordinates","227332","2020-10-21","18:00:00",""
"4035940","9.0177","0.0007","10.4022","0.0009","10.8349","0.0009","97.211","0.003","95.918","0.002","96.014","0.003","995.78","0.14","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N4 O4 S2 -","- C48 H48 N4 O4 S2 -","- C48 H48 N4 O4 S2 -","1","0.5","","Chauhan, Navya; Pradhan, Sajan; Ghorai, Manas K.","Stereospecific Synthesis of Highly Substituted Piperazines via an One-Pot Three Component Ring-Opening Cyclization from N-Activated Aziridines, Anilines, and Propargyl Carbonates.","The Journal of organic chemistry","2019","84","4","1757","1765","10.1021/acs.joc.8b02259","","","0.71073","MoKα","","0.0705","0.0456","","","0.1216","0.151","","","","","","1.164","","","","has coordinates","227333","2020-10-21","18:00:00",""
"4035941","5.1381","0.0009","10.587","0.002","13.334","0.002","104.09","0.015","92.295","0.014","103.6","0.016","680.1","0.2","100","10","100","10","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N3 O2 -","- C15 H12 F3 N3 O2 -","- C30 H24 F6 N6 O4 -","2","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0888","0.0674","","","0.1774","0.1961","","","","","","1.021","","","","has coordinates","227334","2020-10-21","18:00:00",""
"4035942","13.2944","0.0006","9.4754","0.0004","13.8198","0.0006","90","","90.284","0.004","90","","1740.86","0.13","100","10","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O5 S -","- C17 H19 N3 O5 S -","- C68 H76 N12 O20 S4 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0412","0.0373","","","0.0909","0.0935","","","","","","1.056","","","","has coordinates","227335","2020-10-21","18:00:00",""
"4035943","5.0629","0.0001","12.817","0.0002","19.6202","0.0003","90","","96.844","0.001","90","","1264.11","0.04","100","10","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0374","0.0362","","","0.0996","0.1006","","","","","","1.05","","","","has coordinates","227336","2020-10-21","18:00:00",""
"4035944","5.069","0.0002","26.9119","0.0012","9.2857","0.0004","90","","102.161","0.005","90","","1238.3","0.09","100","10","100","10","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0476","0.0441","","","0.1164","0.12","","","","","","1.072","","","","has coordinates","227337","2020-10-21","18:00:00",""
"4035945","9.1912","0.0003","11.3929","0.0005","13.7464","0.0006","90","","90","","90","","1439.45","0.1","100","10","100","10","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0422","0.0412","","","0.1078","0.1089","","","","","","1.039","","","","has coordinates","227338","2020-10-21","18:00:00",""
"4035946","10.1629","0.0005","14.3553","0.0006","20.1376","0.001","90","","90","","90","","2937.9","0.2","299.12","0.1","299.12","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C128 H112 F24 N24 O16 -","8","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0466","0.0383","","","0.0898","0.0949","","","","","","1.024","","","","has coordinates","227339","2020-10-21","18:00:00",""
"4035947","8.6477","0.0004","16.423","0.0006","11.6919","0.0005","90","","104.122","0.004","90","","1610.31","0.12","110","1","110","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Khelifi, Ilhem; Zhao, Guangkuan; Ghermani, Nour-Eddine; Provot, Olivier; Alami, Mouad","Unexpected Oxidative Ring Opening of Electron-Rich 3-Aminobenzofurans into α-Ketoimines Derivatives.","The Journal of organic chemistry","2019","84","4","1725","1733","10.1021/acs.joc.8b01685","","x-ray","0.71073","MoKα","","0.0616","0.0454","","","0.1107","0.1231","","","","","","1.054","","","","has coordinates","227340","2020-10-21","18:00:00",""
"4035948","21.244","0.003","19.83","0.003","14.957","0.002","90","","90","","90","","6300.9","1.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Lu2@C2v-C82 NHC","Lu2@C3v-C82 NHC","","- C106 H24 Lu2 N2 S6 -","- C106 H24 Lu1.9978 N2 S6 -","- C424 H96 Lu7.9912 N8 S24 -","4","0.5","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.1712","0.1581","","","0.372","0.381","","","","","","1.088","","","","has coordinates,has disorder","227341","2020-10-21","18:00:00",""
"4035949","20.132","0.005","20.735","0.005","14.696","0.005","90","0.005","90.598","0.005","90","0.005","6134","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Me-NHC","Me-NHC","","- C107 H38 Lu3 N3 S0 -","- C107 H38 Lu3 N3 -","- C428 H152 Lu12 N12 -","4","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71069","MoKα","","0.1017","0.0631","","","0.1429","0.1705","","","","","","1.019","","","","has coordinates,has disorder","227342","2020-10-21","18:00:00",""
"4035950","26.199","0.007","11.22","0.003","20.553","0.005","90","","107.986","0.007","90","","5746","3","170","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@C2v-C82 NHC","Lu2@C2v-C82 NHC","","- C419 H96 Lu8 N8 S13 -","- C419 H96 Lu7.9976 N8 S13 -","- C419 H96 Lu7.9976 N8 S13 -","1","0.125","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.1441","0.1301","","","0.293","0.3021","","","","","","1.115","","","","has coordinates,has disorder","227343","2020-10-21","18:00:00",""
"4035951","25.423","0.003","15.6051","0.0015","28.953","0.003","90","","90","","90","","11486","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Me+O-NHC","Me+O-NHC","","- C102 H24 Lu3 N3 O S2 -","- C102 H24 Lu2.9999 N3 O S2 -","- C816 H192 Lu23.9992 N24 O8 S16 -","8","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.0916","0.0789","","","0.1647","0.1716","","","","","","1.151","","","","has coordinates,has disorder","227344","2020-10-21","18:00:00",""
"4035952","5.6641","0.0001","8.0176","0.0002","19.4004","0.0004","90","","94.876","0.002","90","","877.83","0.03","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O4 -","- C20 H19 Br O4 -","- C40 H38 Br2 O8 -","2","1","","Hoffmeyer, Patrick; Schneider, Christoph","Stereoselective Synthesis of 2,3,5-Trisubstituted Tetrahydrofurans Initiated by a Titanium-BINOLate-Catalyzed Vinylogous Aldol Reaction.","The Journal of organic chemistry","2019","84","2","1079","1084","10.1021/acs.joc.8b02828","","","0.71073","MoKα","","0.033","0.0264","","","0.054","0.0566","","","","","","1.03","","","","has coordinates,has disorder","227345","2020-10-21","18:00:00",""
"4035953","16.2996","0.0009","9.0953","0.0005","13.4799","0.0006","90","","101.291","0.002","90","","1959.71","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 O P -","- C28 H17 O P -","- C112 H68 O4 P4 -","4","1","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","","0.71073","MoKα","","0.129","0.0602","","","0.1297","0.1584","","","","","","1.01","","","","has coordinates","227346","2020-10-21","18:00:00",""
"4035954","9.3936","0.0008","11.2389","0.0011","11.6385","0.0011","114.26","0.004","97.195","0.004","92.441","0.004","1105.37","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C57 H40 Cl2 O4 P2 -","- C57 H40 Cl2 O4 P2 -","- C57 H40 Cl2 O4 P2 -","1","0.5","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","x-ray","0.71073","MoKα","","0.0748","0.0544","","","0.1307","0.1422","","","","","","1.075","","","","has coordinates","227347","2020-10-21","18:00:00",""
"4035955","9.0297","0.0003","10.1542","0.0003","19.3621","0.0006","90","","90","","90","","1775.3","0.1","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Si -","- C24 H18 Si -","- C96 H72 Si4 -","4","1","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0812","0.083","","","","","","1.047","","","","has coordinates","227348","2020-10-21","18:00:00",""
"4035956","12.9334","0.0013","11.7951","0.0012","10.7132","0.0011","90","","100.176","0.002","90","","1608.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F4 N -","- C18 H18 B F4 N -","- C72 H72 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1421","0.0492","","","0.0922","0.1182","","","","","","0.942","","","","has coordinates","227349","2020-10-21","18:00:00",""
"4035957","9.1735","0.0014","13.378","0.002","19.632","0.003","80.22","0.003","89.344","0.003","77.052","0.003","2313","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O7 -","- C22 H19 N5 O7 -","- C88 H76 N20 O28 -","4","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1779","0.0811","","","0.1711","0.1922","","","","","","1.017","","","","has coordinates","227350","2020-10-21","18:00:00",""
"4035958","10.2319","0.0013","10.7218","0.0014","13.463","0.002","90","","100.27","0.004","90","","1453.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 B F4 N2 -","- C15 H17 B F4 N2 -","- C60 H68 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1113","0.0589","","","0.1109","0.1396","","","","","","1.029","","","","has coordinates","227351","2020-10-21","18:00:00",""
"4035959","6.3354","0.0003","19.0291","0.0009","17.215","0.0008","90","","90.203","0.001","90","","2075.38","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 B F4 N2 -","- C23 H25 B F4 N2 -","- C92 H100 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.0782","0.0465","","","0.0945","0.1128","","","","","","1.028","","","","has coordinates","227352","2020-10-21","18:00:00",""
"4035960","7.8332","0.0015","11.886","0.002","11.962","0.002","99.791","0.004","97.172","0.004","107.373","0.004","1029","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 B F4 N3 O2 -","- C22 H22 B F4 N3 O2 -","- C44 H44 B2 F8 N6 O4 -","2","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1487","0.0757","","","0.1432","0.1759","","","","","","1.029","","","","has coordinates","227353","2020-10-21","18:00:00",""
"4035961","25.511","0.006","25.511","0.006","8.04","0.002","90","","90","","90","","5233","2","120","2","120","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C256 H256 N32 -","16","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1274","0.0523","","","0.0988","0.124","","","","","","0.97","","","","has coordinates","227354","2020-10-21","18:00:00",""
"4035962","5.75922","0.00014","24.0052","0.0005","10.1828","0.0002","90","","104.555","0.002","90","","1362.6","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O6 P S -","- C24 H39 N2 O6 P S -","- C48 H78 N4 O12 P2 S2 -","2","1","","Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.","The Journal of organic chemistry","2019","84","2","1094","1102","10.1021/acs.joc.8b02843","","x-ray","1.54184","CuKα","","0.0413","0.038","","","0.0902","0.0931","","","","","","1.066","","","","has coordinates,has disorder","227355","2020-10-21","18:00:00",""
"4035963","27.2663","0.0002","27.2663","0.0002","12.3982","0.0002","90","","90","","90","","9217.46","0.18","150","0.1","150","0.1","","","","","","","synthesis as described","6","I 41/a :2","-I 4ad","88","","","","- C22 H26 F N2 O4 P -","- C22 H26 F N2 O4 P -","- C352 H416 F16 N32 O64 P16 -","16","1","","Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.","The Journal of organic chemistry","2019","84","2","1094","1102","10.1021/acs.joc.8b02843","","x-ray","1.54184","CuKα","","0.0525","0.0484","","","0.1356","0.1396","","","","","","1.065","","","","has coordinates,has disorder","227356","2020-10-21","18:00:00",""
"4035964","29.6415","0.0005","8.72785","0.00014","18.2127","0.0003","90","","90.6805","0.0014","90","","4711.41","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 F3 N2 O2 -","- C28 H23 F3 N2 O2 -","- C224 H184 F24 N16 O16 -","8","1","","Wang, Qijun; Wang, Bo; Deng, Hao; Shangguan, Yu; Lin, Yan; Zhang, Yaqi; Zhang, Zheming; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Silver-Catalyzed Three-Component Difunctionalization of Alkenes via Radical Pathways: Access to CF<sub>3</sub>-Functionalized Alkyl-Substituted 1,4-Naphthoquinone Derivatives.","The Journal of organic chemistry","2019","84","2","1006","1014","10.1021/acs.joc.8b02997","","x-ray","1.54184","CuKα","","0.0579","0.0536","","","0.147","0.154","","","","","","1.034","","","","has coordinates","227357","2020-10-21","18:00:00",""
"4035965","8.623","0.0012","9.5904","0.0012","12.8096","0.0016","102.175","0.01","92.846","0.011","98.99","0.011","1019","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 F N O3 -","- C25 H20 F N O3 -","- C50 H40 F2 N2 O6 -","2","1","","Li, De-Feng; Gu, Yan; Zhang, Jing-Ru; Liu, Kun; Zhao, Li-Ming","Diastereoselective Construction of Spiro-furo[3,2- c]benzopyranoxindoles through a Cu(OTf)<sub>2</sub>/AcOH Cooperative Promoted Bicyclization Reaction.","The Journal of organic chemistry","2019","84","2","879","887","10.1021/acs.joc.8b02762","","x-ray","0.71073","MoKα","","0.1449","0.0656","","","0.1439","0.1982","","","","","","0.917","","","","has coordinates","227358","2020-10-21","18:00:00",""
"4035966","18.795","0.004","6.7049","0.0008","43.048","0.008","90","","101.359","0.018","90","","5318.6","1.7","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H27 N3 O6 S -","- C27 H27 N3 O6 S -","- C216 H216 N24 O48 S8 -","8","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2989","0.1039","","","0.1348","0.1971","","","","","","1.013","","","","has coordinates","227359","2020-10-21","18:00:00",""
"4035967","7.1605","0.0012","11.4577","0.0014","22.362","0.002","96.348","0.009","99.163","0.011","108.189","0.012","1695.4","0.4","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 N2 O3 -","- C18 H14 Cl2 N2 O3 -","- C72 H56 Cl8 N8 O12 -","4","2","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2402","0.081","","","0.2017","0.276","","","","","","0.986","","","","has coordinates","227360","2020-10-21","18:00:00",""
"4035968","12.674","0.003","7.0239","0.0014","18.455","0.004","90","","108.04","0.02","90","","1562.1","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2238","0.1689","","","0.455","0.4844","","","","","","1.576","","","","has coordinates","227361","2020-10-21","18:00:00",""
"4035969","9.9275","0.0003","10.6817","0.0004","17.0657","0.0007","90","","92.797","0.004","90","","1807.53","0.11","291","","291","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.0423","0.0384","","","0.0953","0.099","","","","","","1.037","","","","has coordinates","227362","2020-10-21","18:00:00",""
"4035970","12.306","0.003","9.758","0.002","17.335","0.005","90","","105.34","0.03","90","","2007.5","0.9","291","","291","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2353","0.0762","","","0.1542","0.2567","","","","","","0.874","","","","has coordinates","227363","2020-10-21","18:00:00",""
"4035971","11.3525","0.0005","17.2191","0.0006","8.8785","0.0003","90","","96.982","0.003","90","","1722.7","0.11","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C84 H68 N12 O12 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.0599","0.0413","","","0.1034","0.1163","","","","","","1.015","","","","has coordinates","227364","2020-10-21","18:00:00",""
"4035972","15.346","0.0018","5.6824","0.0006","13.3043","0.0012","90","","90","","90","","1160.2","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-amino-2-phenyl-8-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0358","0.0316","","","0.0792","0.0835","","","","","","1.05","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035973","3.8638","0.0003","12.3396","0.0009","23.9712","0.0019","90","","90.007","0.004","90","","1142.89","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2-phenyl-5-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","2","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.068","0.0434","","","0.1198","0.1414","","","","","","1.028","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035974","10.9843","0.0005","14.3764","0.0006","7.3629","0.0003","90","","101.026","0.002","90","","1141.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-3'-methoxy-[1,1'-biphenyl]-4-carbonitrile","","- C14 H10 F N O -","- C14 H10 F N O -","- C56 H40 F4 N4 O4 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0655","0.0531","","","0.1586","0.1749","","","","","","1.11","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035975","7.246","0.0005","25.6754","0.0018","7.4701","0.0005","90","","113.808","0.003","90","","1271.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-difluoro-4-(naphthalen-1-yl)benzonitrile","","- C17 H9 F2 N -","- C17 H9 F2 N -","- C68 H36 F8 N4 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0543","0.0379","","","0.1079","0.1294","","","","","","1.121","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035976","11.2142","0.0006","25.3615","0.0011","11.4422","0.0007","90","","108.702","0.002","90","","3082.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.5 H29 Cl N2 O4.5 -","- C33.5 H29 Cl N2 O4.5 -","- C134 H116 Cl4 N8 O18 -","4","2","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.061","0.0509","","","0.1365","0.1436","","","","","","1.057","","","","has coordinates,has disorder","227366","2020-10-21","18:00:00",""
"4035977","13.2027","0.0004","8.2361","0.0002","24.8945","0.0006","90","","90.564","0.001","90","","2706.87","0.12","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cl N3 O4 -","- C33 H28 Cl N3 O4 -","- C132 H112 Cl4 N12 O16 -","4","1","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.0539","0.0403","","","0.0948","0.1035","","","","","","1.047","","","","has coordinates","227367","2020-10-21","18:00:00",""
"4035978","8.4563","0.0002","23.5963","0.0005","16.0089","0.0004","90","","99.308","0.001","90","","3152.31","0.13","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl N3 O4 -","- C37 H32 Cl N3 O4 -","- C148 H128 Cl4 N12 O16 -","4","1","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.0413","0.0365","","","0.0954","0.0994","","","","","","1.032","","","","has coordinates","227368","2020-10-21","18:00:00",""
"4035979","11.545","0.0003","10.3342","0.0003","8.9226","0.0002","90","","93.57","0.002","90","","1062.47","0.05","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br N O4 S -","- C8 H8 Br N O4 S -","- C32 H32 Br4 N4 O16 S4 -","4","1","","Gilles, Philippe; Veryser, Cedrick; Vangrunderbeeck, Sarah; Ceusters, Sam; Van Meervelt, Luc; De Borggraeve, Wim M.","Synthesis of N-Acyl Sulfamates from Fluorosulfates and Amides.","The Journal of organic chemistry","2019","84","2","1070","1078","10.1021/acs.joc.8b02785","","x-ray","0.71073","MoKα","","0.0258","0.0249","","","0.0654","0.066","","","","","","1.041","","","","has coordinates","227369","2020-10-21","18:00:00",""
"4035980","8.2394","0.0005","10.4297","0.0007","13.8617","0.0008","79.069","0.005","83.88","0.005","89.814","0.005","1162.74","0.13","294","0.11","294","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 N O5 S2 -","- C9 H9 N O5 S2 -","- C36 H36 N4 O20 S8 -","4","2","","Gilles, Philippe; Veryser, Cedrick; Vangrunderbeeck, Sarah; Ceusters, Sam; Van Meervelt, Luc; De Borggraeve, Wim M.","Synthesis of N-Acyl Sulfamates from Fluorosulfates and Amides.","The Journal of organic chemistry","2019","84","2","1070","1078","10.1021/acs.joc.8b02785","","x-ray","0.71073","MoKα","","0.0792","0.0455","","","0.1049","0.1239","","","","","","1.017","","","","has coordinates","227370","2020-10-21","18:00:00",""
"4035981","9.571","0.002","10.703","0.003","12.016","0.003","82.755","0.009","83.644","0.009","86.742","0.008","1212.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.2505","0.084","","","0.1325","0.1626","","","","","","1.015","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035982","11.852","0.003","9.52","0.002","21.501","0.006","90","","104.502","0.008","90","","2348.7","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C100 H120 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1504","0.0639","","","0.1535","0.1876","","","","","","1.017","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035983","9.5634","0.001","11.1224","0.0012","22.362","0.002","90","","100.055","0.004","90","","2342.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N2 O5 -","- C27 H25 F N2 O5 -","- C108 H100 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.151","0.0638","","","0.1309","0.1591","","","","","","1.015","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035984","10.643","0.003","10.801","0.003","12.45","0.004","82.896","0.009","84.637","0.009","87.675","0.009","1413.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C54 H50 Cl2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1078","0.0617","","","0.1698","0.1831","","","","","","1.067","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035985","11.806","0.004","9.349","0.004","21.788","0.007","90","","105.72","","90","","2314.9","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl N2 O5 -","- C24 H27 Cl N2 O5 -","- C96 H108 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.2016","0.0717","","","0.1586","0.1951","","","","","","0.986","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035986","8.937","0.0017","9.5663","0.0018","11.885","0.002","95.002","0.006","90.131","0.006","99.912","0.006","997","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Cl N2 O5 -","- C21 H21 Cl N2 O5 -","- C42 H42 Cl2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0897","0.052","","","0.1171","0.1338","","","","","","1.016","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035987","9.958","0.003","10.022","0.003","13.449","0.004","82.113","0.008","74.432","0.009","67.704","0.008","1195.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C48 H58 N6 O12 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1021","0.0547","","","0.1314","0.1537","","","","","","1.022","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035988","8.036","0.003","8.365","0.002","14.182","0.004","99.935","0.009","98.973","0.01","90.533","0.011","926.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F N2 O5 -","- C20 H19 F N2 O5 -","- C40 H38 F2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0903","0.0525","","","0.121","0.1371","","","","","","1.022","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035989","7.9925","0.0017","9.4075","0.0017","25.078","0.005","90","","90.754","0.008","90","","1885.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1233","0.1059","","","0.2816","0.2965","","","","","","1.007","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035990","8.473","0.003","11.408","0.003","12.922","0.004","97.836","0.009","100.573","0.01","101.321","0.01","1184.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 N2 O5 -","- C21 H19 F3 N2 O5 -","- C42 H38 F6 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1195","0.074","","","0.2143","0.237","","","","","","1.087","","","","has coordinates,has disorder","227371","2020-10-21","18:00:00",""
"4035991","9.0321","0.001","18.163","0.002","11.1885","0.0013","90","","92.013","0.004","90","","1834.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0849","0.0528","","","0.1279","0.1493","","","","","","1.122","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035992","8.8658","0.0011","17.995","0.002","11.1606","0.0014","90","","92.884","0.004","90","","1778.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 F N2 O5 -","- C20 H19 F N2 O5 -","- C80 H76 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0847","0.0469","","","0.1028","0.1155","","","","","","1.043","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035993","8.9042","0.0011","18.097","0.002","11.3927","0.0015","90","","92.297","0.004","90","","1834.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0716","0.0466","","","0.1066","0.1175","","","","","","1.015","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035994","9.1526","0.0019","9.557","0.002","11.185","0.003","81.811","0.006","87.933","0.006","82.353","0.006","959.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br N2 O5 -","- C20 H19 Br N2 O5 -","- C40 H38 Br2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.042","0.0319","","","0.0784","0.0826","","","","","","1.051","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035995","7.6659","0.0008","21.313","0.002","15.1393","0.0016","90","","101.551","0.003","90","","2423.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C112 H112 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1117","0.062","","","0.1447","0.1719","","","","","","1.057","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035996","7.7696","0.0009","19.945","0.002","15.1798","0.0016","90","","102.142","0.004","90","","2299.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N2 O5 -","- C27 H25 F N2 O5 -","- C108 H100 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0993","0.056","","","0.1362","0.1567","","","","","","1.02","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035997","7.7039","0.0011","20.96","0.003","15.257","0.003","90","","102.356","0.005","90","","2406.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C108 H100 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1335","0.0596","","","0.1274","0.155","","","","","","1.02","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035998","9.306","0.002","9.447","0.002","17.344","0.004","90","","90","","90","","1524.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.077","0.0473","","","0.096","0.1066","","","","","","1.039","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035999","8.5742","0.0008","9.9875","0.0009","11.2641","0.001","77.561","0.003","77.38","0.003","66.025","0.003","851.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1087","0.0827","","","0.2174","0.2441","","","","","","1.057","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4036000","12.4803","0.0001","17.4877","0.0001","18.5699","0.0002","90","","90","","90","","4052.91","0.06","123","2","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9,9'-dimethoxy-3H,3'H-1,1'-bibenzo[f]chromene","","- C28 H22 O4 -","- C28 H22 O4 -","- C224 H176 O32 -","8","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.045","0.0427","","","0.1159","0.118","","","","","","1.032","","","","has coordinates","227374","2020-10-21","18:00:00",""
"4036001","11.2662","0.0002","15.6756","0.0002","14.1746","0.0003","90","","90","","90","","2503.3","0.08","150","2","150","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H20 Br2 O2 -","- C32 H20 Br2 O2 -","- C128 H80 Br8 O8 -","4","0.5","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","","1.5418","CuKα","","0.0467","0.046","","","0.1336","0.1351","","","","","","1.082","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4036002","14.84939","0.00017","5.00377","0.00004","23.0085","0.0002","90","","103.007","0.001","90","","1665.74","0.03","123","2","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.0483","0.0462","","","0.1169","0.1194","","","","","","1.13","","","","has coordinates","227376","2020-10-21","18:00:00",""
"4036003","15.9367","0.0002","6.7628","0.0001","16.9558","0.0003","90","","117.243","0.0008","90","","1624.73","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 F3 N2 O4 -","- C14 H13 F3 N2 O4 -","- C56 H52 F12 N8 O16 -","4","2","","Hu, Bin; Deng, Li","Direct Catalytic Asymmetric Synthesis of Trifluoromethylated γ-Amino Esters/Lactones via Umpolung Strategy.","The Journal of organic chemistry","2019","84","2","994","1005","10.1021/acs.joc.8b02893","","","1.5418","CuKα","","0.0243","0.0236","","0.0623","0.0617","0.0623","","","","","","0.9971","","","","has coordinates,has disorder","227377","2020-10-21","18:00:00",""
"4036004","11.9497","0.0011","12.5259","0.0011","18.539","0.002","85.427","0.009","86.549","0.009","62.251","0.009","2447.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 O9 S3 -","- C48 H54 O9 S3 -","- C96 H108 O18 S6 -","2","1","","Perretti, Marcelle D.; Pérez-Márquez, Lidia A; García-Rodríguez, Raúl; Carrillo, Romen","Building Covalent Molecular Capsules by Thiol-Michael Addition Click Reaction.","The Journal of organic chemistry","2019","84","2","840","850","10.1021/acs.joc.8b02677","","","1.54184","CuKα","","0.1417","0.0657","","","0.1107","0.1428","","","","","","0.963","","","","has coordinates","227378","2020-10-21","18:00:00",""
"4036005","14.1404","0.0002","22.9172","0.0003","14.4095","0.0002","90","","109.755","0.002","90","","4394.7","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 Cl O12 S3 -","- C39.5 H57 Cl O12 S3 -","- C158 H228 Cl4 O48 S12 -","4","2","","Perretti, Marcelle D.; Pérez-Márquez, Lidia A; García-Rodríguez, Raúl; Carrillo, Romen","Building Covalent Molecular Capsules by Thiol-Michael Addition Click Reaction.","The Journal of organic chemistry","2019","84","2","840","850","10.1021/acs.joc.8b02677","","x-ray","1.54184","CuKα","","0.0618","0.0591","","","0.1735","0.1793","","","","","","1.028","","","","has coordinates","227379","2020-10-21","18:00:00",""
"4036006","3.8905","0.0005","20.385","0.002","12.7499","0.0011","90","","90.055","0.009","90","","1011.17","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C36 H40 N8 O20 -","4","1","","Wan, Yameng; Zhang, Zhiguo; Ma, Nana; Bi, Jingjing; Zhang, Guisheng","Acylamino-Directed Specific Sequential Difunctionalizations of Anilides via Metal-Free Relay Reactions for p-Oxygen and o-Nitrogen Incorporation.","The Journal of organic chemistry","2019","84","2","780","791","10.1021/acs.joc.8b02636","","x-ray","1.54184","CuKα","","0.0895","0.0575","","","0.1401","0.1687","","","","","","1.042","","","","has coordinates","227380","2020-10-21","18:00:00",""
"4036007","4.6612","0.0006","8.2732","0.0009","15.4139","0.0018","81.641","0.009","82.204","0.01","80.603","0.01","576.37","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 F3 N2 O4 -","- C10 H9 F3 N2 O4 -","- C20 H18 F6 N4 O8 -","2","1","","Wan, Yameng; Zhang, Zhiguo; Ma, Nana; Bi, Jingjing; Zhang, Guisheng","Acylamino-Directed Specific Sequential Difunctionalizations of Anilides via Metal-Free Relay Reactions for p-Oxygen and o-Nitrogen Incorporation.","The Journal of organic chemistry","2019","84","2","780","791","10.1021/acs.joc.8b02636","","x-ray","1.54184","CuKα","","0.0752","0.0503","","","0.132","0.1524","","","","","","1.015","","","","has coordinates,has disorder","227381","2020-10-21","18:00:00",""
"4036008","6.3754","0.0003","19.036","0.0009","10.9599","0.0006","90","","102.276","0.0012","90","","1299.7","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H26 Br2 O5 -","- C30 H26 Br2 O5 -","- C60 H52 Br4 O10 -","2","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","0.71073","MoKα","","0.0386","0.0329","","","0.0803","0.083","","","","","","1.039","","","","has coordinates","227382","2020-10-21","18:00:00",""
"4036009","6.4222","0.0004","15.4984","0.001","22.8","0.0015","90","","90","","90","","2269.4","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C116 H104 O16 -","4","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","1.54178","CuKα","","0.0347","0.0332","","","0.0828","0.0841","","","","","","1.067","","","","has coordinates","227383","2020-10-21","18:00:00",""
"4036010","10.6835","0.0005","12.3208","0.0005","15.947","0.0007","90","","90","","90","","2099.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N2 O4 -","- C23 H21 Cl N2 O4 -","- C92 H84 Cl4 N8 O16 -","4","1","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0571","0.0418","","","0.0997","0.1097","","","","","","1.028","","","","has coordinates","227384","2020-10-21","18:00:00",""
"4036011","9.748","0.0008","25.918","0.002","10.3862","0.0007","90","","100.71","0.002","90","","2578.3","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C112 H112 N8 O20 S4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0841","0.0572","","","0.138","0.1583","","","","","","1.05","","","","has coordinates","227385","2020-10-21","18:00:00",""
"4036012","8.3716","0.0004","50.033","0.003","8.3726","0.0004","90","","107.899","0.001","90","","3337.2","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H40 N2 O5 S Si -","- C33 H40 N2 O5 S Si -","- C132 H160 N8 O20 S4 Si4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0716","0.0514","","","0.1171","0.1321","","","","","","1.022","","","","has coordinates","227386","2020-10-21","18:00:00",""
"4036013","11.6358","0.0011","15.0363","0.0015","7.9048","0.0007","90","","99.872","0.009","90","","1362.5","0.2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 -","- C14 H16 N6 -","- C56 H64 N24 -","4","1","","Zhang, Li-Yu; Zhang, Chen; Wang, Tao; Shi, Yu-Long; Ban, Meng-Tao; Cui, Dong-Mei","Copper-Catalyzed Tandem Reactions of 2-Amine-[1,3,5]triazines with Nitriles.","The Journal of organic chemistry","2019","84","2","536","543","10.1021/acs.joc.8b02150","","","0.71073","MoKα","","0.0674","0.0452","","","0.1046","0.1214","","","","","","1.022","","","","has coordinates","227387","2020-10-21","18:00:00",""
"4036014","17.1899","0.0009","16.7466","0.001","8.1097","0.0005","90","","91.91","0.002","90","","2333.3","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","1","","Weber, J.; Clennan, E. L.","Origin of the Preferential Formation of Helicenes in Mallory Photocyclizations. Temperature as a Tool to Influence Reaction Regiochemistry.","The Journal of organic chemistry","2019","84","2","817","830","10.1021/acs.joc.8b02671","","","0.71073","MoKα","","0.1244","0.0579","","","0.1167","0.1492","","","","","","1.008","","","","has coordinates","227388","2020-10-21","18:00:00",""
"4036015","6.9595","0.0006","10.7062","0.0009","11.3837","0.001","90","","90","","90","","848.2","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0301","0.0289","","","0.0795","0.0805","","","","","","1.108","","","","has coordinates","227389","2020-10-21","18:00:00",""
"4036016","6.7672","0.0002","11.7433","0.0004","7.7423","0.0003","90","","112.125","0.002","90","","569.97","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0417","0.0381","","","0.0949","0.1027","","","","","","1.068","","","","has coordinates","227390","2020-10-21","18:00:00",""
"4036017","7.153","0.005","13.527","0.005","19.62","0.005","90","","109.92","0.015","90","","1784.8","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","1","","Zhou, Meng; Li, Jinlei; Tian, Chao; Sun, Xiao; Zhu, Xiaoting; Cheng, Yaohang; An, Guanghui; Li, Guangming","A Metal-Free Three-Component Reaction of trans-β-Nitrostyrene Derivatives, Dibromo Amides, and Amines Leading to Functionalized Amidines.","The Journal of organic chemistry","2019","84","2","1015","1024","10.1021/acs.joc.8b02998","","","0.71069","MoKα","","0.0794","0.0589","","","0.1418","0.1595","","","","","","1.044","","","","has coordinates","227391","2020-10-21","18:00:00",""
"4036018","6.5131","","8.2925","","21.2429","","99.9811","","90.1718","","90.1879","","1129.95","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","2","","Thapa, Pawan; Corral, Esai; Sardar, Sinjinee; Pierce, Brad S.; Foss, Jr, Frank W","Isoindolinone Synthesis: Selective Dioxane-Mediated Aerobic Oxidation of Isoindolines.","The Journal of organic chemistry","2019","84","2","1025","1034","10.1021/acs.joc.8b01920","","x-ray","0.71073","MoKα","","0.069","0.069","","","0.0465","0.0465","","","","1.47","1.47","1.47","","","","has coordinates","227392","2020-10-21","18:00:00",""
"4036019","10.2358","0.0007","8.6625","0.0006","12.4764","0.001","90","","90.477","0.002","90","","1106.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O8 -","- C17 H33 N3 O8 -","- C34 H66 N6 O16 -","2","1","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","0.71073","MoKα","","0.0487","0.0392","","","0.0866","0.0908","","","","","","1.042","","","","has coordinates","227393","2020-10-21","18:00:00",""
"4036020","9.6845","0.0002","11.1866","0.0002","20.2699","0.0005","90","","90","","90","","2195.97","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C72 H136 N8 O48 -","8","2","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","1.54178","CuKα","","0.0241","0.0234","","","0.06","0.0604","","","","","","1.089","","","","has coordinates","227394","2020-10-21","18:00:00",""
"4036021","9.846","0.002","12.222","0.002","13.29","0.003","67.89","0.03","69.42","0.03","84.54","0.03","1385.9","0.6","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl3 N2 O7 S2 -","- C26 H25 Cl3 N2 O7 S2 -","- C52 H50 Cl6 N4 O14 S4 -","2","1","","Shi, Wangyu; Zhou, Leijie; Mao, Biming; Wang, Qijun; Wang, Chang; Zhang, Cheng; Li, Xuefeng; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed [3+2] Annulation of β-Sulfonamido-Substituted Enones with Sulfamate-Derived Cyclic Imines.","The Journal of organic chemistry","2019","84","2","679","686","10.1021/acs.joc.8b02515","","","0.71073","MoKα","","0.0743","0.067","","","0.1558","0.1609","","","","","","1.095","","","","has coordinates","227395","2020-10-21","18:00:00",""
"4036022","6.1209","0.0005","8.3258","0.0006","19.4643","0.0015","85.484","0.002","84.662","0.002","80.436","0.002","971.87","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 Cl O6 -","- C18 H25 Cl O6 -","- C36 H50 Cl2 O12 -","2","1","","Singh, Kuldeep; Bera, Tishyasoumya; Jaiswal, Vandana; Biswas, Subrata; Mondal, Biplab; Das, Dinabandhu; Saha, Jaideep","Lewis Acid Catalyzed Nucleophilic Ring Opening and 1,3-Bisfunctionalization of Donor-Acceptor Cyclopropanes with Hydroperoxides: Access to Highly Functionalized Peroxy/(α-Heteroatom Substituted)Peroxy Compounds.","The Journal of organic chemistry","2019","84","2","710","725","10.1021/acs.joc.8b02561","","","0.71073","MoKα","","0.0469","0.0375","","","0.096","0.102","","","","","","1.029","","","","has coordinates","227396","2020-10-21","18:00:00",""
"4036023","5.6579","0.0001","21.719","0.0005","14.8462","0.0003","90","","90.302","0.002","90","","1824.33","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl O3 S -","- C21 H17 Cl O3 S -","- C84 H68 Cl4 O12 S4 -","4","1","","Waiba, Satyadeep; Barman, Milan K.; Maji, Biplab","Manganese-Catalyzed Acceptorless Dehydrogenative Coupling of Alcohols With Sulfones: A Tool To Access Highly Substituted Vinyl Sulfones.","The Journal of organic chemistry","2019","84","2","973","982","10.1021/acs.joc.8b02911","","x-ray","0.71073","MoKα","","0.0443","0.0357","","","0.0822","0.087","","","","","","1.063","","","","has coordinates","227397","2020-10-21","18:00:00",""
"4036024","10.044","0.003","12.223","0.003","12.45","0.003","81.343","0.007","71.583","0.007","66.01","0.007","1324.5","0.6","238","2","238","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O4 -","- C34 H30 O4 -","- C68 H60 O8 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0625","0.0447","","","0.0961","0.1065","","","","","","1.04","","","","has coordinates","227398","2020-10-21","18:00:00",""
"4036025","9.4052","0.0004","12.5506","0.0005","16.5291","0.0007","80.422","0.001","80.65","0.001","89.993","0.001","1897.62","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 Br2 N2 -","- C42 H30 Br2 N2 -","- C84 H60 Br4 N4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0526","0.0374","","","0.0906","0.0971","","","","","","1.082","","","","has coordinates","227399","2020-10-21","18:00:00",""
"4036026","7.0575","0.0005","10.2773","0.0008","22.134","0.002","88.791","0.003","88.61","0.003","81.318","0.002","1586.3","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C86 H64 N4 O4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0836","0.054","","","0.1117","0.1279","","","","","","1.052","","","","has coordinates,has disorder","227400","2020-10-21","18:00:00",""
"4036027","11.134","0.002","12.176","0.003","13.759","0.003","83.142","0.007","77.79","0.007","67.611","0.008","1684.1","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H36 N2 O2 -","- C45 H36 N2 O2 -","- C90 H72 N4 O4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.1791","0.0681","","","0.1581","0.2229","","","","","","0.947","","","","has coordinates","227401","2020-10-21","18:00:00",""
"4036028","9.1373","0.0013","18.993","0.003","18.606","0.002","90","","100.289","0.004","90","","3177","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 N2 -","- C41 H30 N2 -","- C164 H120 N8 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.1142","0.0601","","","0.131","0.1498","","","","","","1.017","","","","has coordinates","227402","2020-10-21","18:00:00",""
"4036029","11.7219","0.0003","11.6068","0.0003","7.8791","0.0002","90","","108.63","0.0016","90","","1015.81","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Grandane, Aiga; Longwitz, Lars; Roolf, Catrin; Spannenberg, Anke; Murua Escobar, Hugo; Junghanss, Christian; Suna, Edgars; Werner, Thomas","Intramolecular Base-Free Catalytic Wittig Reaction: Synthesis of Benzoxepinones.","The Journal of organic chemistry","2019","84","3","1320","1329","10.1021/acs.joc.8b02789","","","1.54178","CuKα","","0.0411","0.036","","","0.0932","0.099","","","","","","1.07","","","","has coordinates","227403","2020-10-21","18:00:00",""
"4036030","3.7834","0.0003","9.5523","0.0006","10.0933","0.0007","80.562","0.002","80.636","0.002","80.13","0.002","351.09","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N2 O3 -","- C7 H6 N2 O3 -","- C14 H12 N4 O6 -","2","1","","Rizzo, Antonio; Mayer, Robert J.; Trauner, Dirk","Biomimetic Approach Toward Enterocin and Deoxyenterocin.","The Journal of organic chemistry","2019","84","3","1162","1175","10.1021/acs.joc.8b02273","","","0.71073","MoKα","","0.0409","0.032","","","0.086","0.0902","","","","","","1.083","","","","has coordinates","227404","2020-10-21","18:00:00",""
"4036031","13.98976","0.00019","20.6879","0.0003","34.2198","0.0004","88.085","0.001","82.746","0.001","82.76","0.001","9744.7","0.2","99.96","0.17","99.96","0.17","","","","","","","","3","P -1","-P 1","2","","","","- C188 H212 N8 -","- C188 H212 N8 -","- C376 H424 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.0797","0.0687","","","0.1812","0.1895","","","","","","1.026","","","","has coordinates,has disorder","227405","2020-10-21","18:00:00",""
"4036032","13.707","0.0005","30.1449","0.0013","33.1513","0.0013","102.076","0.003","95.259","0.003","100.812","0.003","13034.3","0.9","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C309 H332 N12 Ni3 -","- C309 H332 N12 Ni3 -","- C618 H664 N24 Ni6 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.1655","0.1133","","","0.2996","0.354","","","","","","1.145","","","","has coordinates,has disorder","227406","2020-10-21","18:00:00",""
"4036033","21.1919","0.0007","21.4423","0.0008","24.3801","0.0012","64.385","0.004","66.879","0.004","89.485","0.003","9012.9","0.8","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C172.61 H190.31 N8 -","- C172.598 H190.299 N8 -","- C345.196 H380.597 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.123","0.0901","","","0.2212","0.2472","","","","","","1.041","","","","has coordinates,has disorder","227407","2020-10-21","18:00:00",""
"4036034","12.5978","0.0015","17.972","0.002","43.321","0.005","98.672","0.01","93.842","0.009","105.443","0.011","9287","2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C221 H245 N8 -","- C221 H245 N8 -","- C442 H490 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.1971","0.1299","","","0.3234","0.3778","","","","","","1.222","","","","has coordinates,has disorder","227408","2020-10-21","18:00:00",""
"4036035","7.2833","0.0002","12.8375","0.0003","12.4934","0.0009","90","","90","","90","","1168.12","0.09","123","","123","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Sako, Makoto; Aoki, Takanori; Zumbrägel, Nadine; Schober, Lukas; Gröger, Harald; Takizawa, Shinobu; Sasai, Hiroaki","Chiral Dinuclear Vanadium Complex-Mediated Oxidative Coupling of Resorcinols.","The Journal of organic chemistry","2019","84","3","1580","1587","10.1021/acs.joc.8b02494","","","1.54187","CuKα","","0.0592","0.0576","","","0.1565","0.1575","","","","","","1.137","","","","has coordinates","227409","2020-10-21","18:00:00",""
"4036036","4.641","0.00013","13.2241","0.0003","27.002","0.0007","90","","90","","90","","1657.2","0.07","293","2","293","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Yokoyama, Soichi; Nishiwaki, Nagatoshi","Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State.","The Journal of organic chemistry","2019","84","3","1192","1200","10.1021/acs.joc.8b02517","","x-ray","1.54184","CuKα","","0.0434","0.041","","","0.1066","0.1091","","","","","","1.06","","","","has coordinates","227410","2020-10-21","18:00:00",""
"4036037","14.4693","0.0003","12.8715","0.0002","9.0715","0.0002","90","","99.139","0.002","90","","1668.04","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Yokoyama, Soichi; Nishiwaki, Nagatoshi","Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State.","The Journal of organic chemistry","2019","84","3","1192","1200","10.1021/acs.joc.8b02517","","x-ray","1.54184","CuKα","","0.0416","0.038","","","0.101","0.1039","","","","","","1.054","","","","has coordinates","227411","2020-10-21","18:00:00",""
"4036038","21.8886","0.0012","5.9177","0.0003","22.4643","0.0012","90","","106.375","0.002","90","","2791.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N4 O8 -","- C24 H42 N4 O8 -","- C96 H168 N16 O32 -","4","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","0.71073","MoKα","","0.0702","0.0477","","","0.0991","0.109","","","","","","1.02","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036039","22.8427","0.0009","6.4349","0.0003","16.7283","0.0007","90","","116.778","0.001","90","","2195.21","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 F3 N O4 S -","- C8 H12 F3 N O4 S -","- C64 H96 F24 N8 O32 S8 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.0291","0.0288","","","0.0714","0.0717","","","","","","1.063","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036040","6.3322","0.0004","16.0598","0.0008","13.7532","0.0007","90","","98.378","0.004","90","","1383.69","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C52 H84 N4 O16 -","4","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.1068","0.075","","","0.1332","0.1443","","","","","","1.085","","","","has coordinates,has disorder","227412","2020-10-21","18:00:00",""
"4036041","10.2399","0.0003","6.5669","0.0002","11.6218","0.0003","90","","106.022","0.001","90","","751.14","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C28 H48 N4 O12 -","2","0.5","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.0352","0.0322","","","0.0802","0.0828","","","","","","1.072","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4037534","8.6886","0.0005","12.9245","0.0009","17.456","0.0012","90","","99.871","0.005","90","","1931.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","1","","Elagamy, Amr; Shaw, Ranjay; Panwar, Rahul; Shally, ?; Ram, Vishnu Ji; Pratap, Ramendra","Synthesis of Highly Functionalized Spirobutenolides via a Nitroalkane-Mediated Ring Contraction of 2-Oxobenzo[ h]chromenes through Denitration.","The Journal of organic chemistry","2019","84","3","1154","1161","10.1021/acs.joc.8b02257","","","0.71073","MoKα","","0.1047","0.0741","","","0.2005","0.2222","","","","","","0.977","","","","has coordinates","236291","2020-10-21","18:00:00",""
"4037541","26.18193","0.00018","9.22358","0.00007","16.79917","0.00011","90","","107.151","0.0007","90","","3876.44","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N5 O7 -","- C36 H57 N5 O7 -","- C144 H228 N20 O28 -","4","1","","Hou, Xue-Mei; Li, Yue-Ying; Shi, Yun-Wei; Fang, Yao-Wei; Chao, Rong; Gu, Yu-Cheng; Wang, Chang-Yun; Shao, Chang-Lun","Integrating Molecular Networking and <sup>1</sup>H NMR To Target the Isolation of Chrysogeamides from a Library of Marine-Derived Penicillium Fungi.","The Journal of organic chemistry","2019","84","3","1228","1237","10.1021/acs.joc.8b02614","","","1.54184","CuKα","","0.0432","0.0425","","","0.1483","0.1518","","","","","","0.748","","","","has coordinates","236304","2020-10-21","18:00:00",""
"4037542","4.84176","0.00019","18.7757","0.0005","21.9789","0.0009","90","","94.933","0.004","90","","1990.64","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br2 N O4 -","- C21 H23 Br2 N O4 -","- C84 H92 Br8 N4 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71075","MoKα","","0.0454","0.0331","","","0.0665","0.0708","","","","","","1.022","","","","has coordinates,has disorder","236306","2020-10-21","18:00:00",""
"4037543","13.6477","0.0009","5.6446","0.0003","7.713","0.0005","90","","91.024","0.006","90","","594.08","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","0.5","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0952","0.0614","","","0.1332","0.1515","","","","","","1.038","","","","has coordinates,has disorder","236308","2020-10-21","18:00:00",""
"4037544","12.7322","0.0005","7.4012","0.0003","21.0629","0.0008","90","","104.743","0.004","90","","1919.49","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0692","0.0492","","","0.108","0.1176","","","","","","1.041","","","","has coordinates","236310","2020-10-21","18:00:00",""
"4037545","7.5809","0.0002","9.1799","0.0003","16.1134","0.0004","104.725","0.003","97.399","0.002","97.091","0.002","1061.15","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C52 H54 N2 O8 -","2","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0548","0.0435","","","0.0987","0.1053","","","","","","1.025","","","","has coordinates","236311","2020-10-21","18:00:00",""
"4037546","8.2051","0.0002","14.4648","0.0004","17.5416","0.0005","70.834","0.003","81.487","0.002","82.58","0.002","1937.62","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","2","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0906","0.0564","","","0.1229","0.1393","","","","","","1.025","","","","has coordinates","236313","2020-10-21","18:00:00",""
"4037547","10.1855","0.0007","10.7629","0.0007","12.0612","0.0008","88.263","0.005","75.335","0.006","79.388","0.005","1257.08","0.15","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N O4 S -","- C27 H30 Br N O4 S -","- C54 H60 Br2 N2 O8 S2 -","2","1","","Li, Lu; Yang, Zhao; Yang, Jiao; Zhang, Quanzheng; Tan, Qiuyuan; Zhang, Changhui; Zhang, Min","Neighboring Hydroxyl Group-Assisted Allylboration and Lewis Acid-Mediated Carbonyl-Ene Reaction for Access to a Hapalindole Cyclohexane Core with Multiple Contiguous Stereogenic Centers.","The Journal of organic chemistry","2019","84","3","1605","1613","10.1021/acs.joc.8b02712","","x-ray","0.71073","MoKα","","0.1071","0.0592","","","0.1291","0.1518","","","","","","1.047","","","","has coordinates","236316","2020-10-21","18:00:00",""
"4037548","10.7773","0.0006","11.0593","0.0009","12.3513","0.0011","102.885","0.007","108.768","0.006","102.871","0.006","1287.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N O4 S -","- C27 H30 Br N O4 S -","- C54 H60 Br2 N2 O8 S2 -","2","1","","Li, Lu; Yang, Zhao; Yang, Jiao; Zhang, Quanzheng; Tan, Qiuyuan; Zhang, Changhui; Zhang, Min","Neighboring Hydroxyl Group-Assisted Allylboration and Lewis Acid-Mediated Carbonyl-Ene Reaction for Access to a Hapalindole Cyclohexane Core with Multiple Contiguous Stereogenic Centers.","The Journal of organic chemistry","2019","84","3","1605","1613","10.1021/acs.joc.8b02712","","","0.71073","MoKα","","0.0942","0.0573","","","0.1305","0.1466","","","","","","1.04","","","","has coordinates","236317","2020-10-21","18:00:00",""
"4037549","11.923","0.002","18.737","0.004","19.416","0.004","90","","90","","90","","4337.6","1.5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C192 H248 N8 O32 -","8","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.074","0.0621","","","0.1764","0.1876","","","","","","1.046","","","","has coordinates","236319","2020-10-21","18:00:00",""
"4037550","7.9305","0.0016","8.026","0.0016","10.9367","0.0014","73.997","0.014","75.084","0.014","62.95","0.02","588.8","0.2","120","0.1","120","0.1","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C28 H29 N O5 -","1","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.0639","0.0573","","","0.1398","0.1529","","","","","","0.9614","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037551","8.9323","0.0018","5.448","0.0011","38.734","0.008","90","","94.87","0.03","90","","1878.1","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.108","0.0854","","","0.2358","0.2588","","","","","","1.06","","","","has coordinates","236323","2020-10-21","18:00:00",""
"4037552","11.6427","0.0006","26.7219","0.0012","16.0346","0.0008","90","","100.857","0.002","90","","4899.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C232 H216 N8 O40 -","8","2","","Varshnaya, Rohit Kumar; Banerjee, Prabal","Lewis Acid-Catalyzed [3+3] Annulation of Donor-Acceptor Cyclopropanes and Indonyl Alcohols: One Step Synthesis of Substituted Carbazoles with Promising Photophysical Properties.","The Journal of organic chemistry","2019","84","3","1614","1623","10.1021/acs.joc.8b02733","","","0.71073","MoKα","","0.1553","0.0825","","","0.1491","0.1751","","","","","","1.095","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037553","19.56339","0.00013","7.68013","0.00007","16.52524","0.00011","90","","93.4366","0.0006","90","","2478.44","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0393","0.0379","","","0.1036","0.1042","","","","","","1.066","","","","has coordinates","236327","2020-10-21","18:00:00",""
"4037554","8.79462","0.00016","14.7893","0.0002","19.5287","0.0003","90","","90","","90","","2540.03","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0484","0.0456","","","0.1197","0.1217","","","","","","1.071","","","","has coordinates","236328","2020-10-21","18:00:00",""
"4037555","8.3634","0.001","9.4209","0.001","10.7953","0.0012","95.936","0.004","94.797","0.004","115.518","0.003","755.66","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C34 H44 N4 O4 -","2","1","","Chithanna, Sivanna; Yang, Ding-Yah","Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines.","The Journal of organic chemistry","2019","84","3","1339","1347","10.1021/acs.joc.8b02819","","x-ray","0.71073","MoKα","","0.054","0.044","","","0.1176","0.1259","","","","","","1.049","","","","has coordinates","236330","2020-10-21","18:00:00",""
"4037556","8.2655","0.0007","9.2448","0.0008","10.7843","0.0009","102.597","0.003","109.073","0.003","105.449","0.003","707.31","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Chithanna, Sivanna; Yang, Ding-Yah","Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines.","The Journal of organic chemistry","2019","84","3","1339","1347","10.1021/acs.joc.8b02819","","x-ray","0.71073","MoKα","","0.0407","0.0362","","","0.0976","0.1022","","","","","","0.968","","","","has coordinates","236333","2020-10-21","18:00:00",""
"4037557","12.8547","0.0016","16.926","0.002","7.0925","0.0009","90","","102.502","0.003","90","","1506.6","0.3","153","","153.08","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying","Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","3","1348","1362","10.1021/acs.joc.8b02820","","","1.54178","CuKα","","0.0998","0.0989","","","0.2813","0.2819","","","","","","1.087","","","","has coordinates","236335","2020-10-21","18:00:00",""
"4037558","12.6874","0.0003","7.3742","0.0002","27.9567","0.0007","90","","98.825","0.002","90","","2584.65","0.11","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying","Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","3","1348","1362","10.1021/acs.joc.8b02820","","x-ray","1.54184","CuKα","","0.0737","0.0625","","","0.1687","0.1789","","","","","","1.07","","","","has coordinates","236336","2020-10-21","18:00:00",""
"4037559","23.323","0.0002","25.0931","0.0002","7.6786","0.0001","90","","90","","90","","4493.87","0.08","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C100 H122 O25 -","- C100 H120 O25 -","- C200 H240 O50 -","2","0.5","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0562","0.0526","","","0.1599","0.1637","","","","","","1.056","","","","has coordinates,has disorder","236338","2020-10-21","18:00:00",""
"4037560","8.9473","0.0008","13.6391","0.0012","9.5262","0.0008","90","","105.518","0.005","90","","1120.13","0.17","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C52 H64 O12 -","2","1","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0332","0.0332","","","0.0876","0.0876","","","","","","1.057","","","","has coordinates","236340","2020-10-21","18:00:00",""
"4037561","7.9644","0.0001","10.5027","0.0001","12.5674","0.0002","91.463","0.001","90.407","0.001","100.694","0.001","1032.56","0.02","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H29 O6.5 -","- C25 H29 O6.5 -","- C50 H58 O13 -","2","2","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","x-ray","1.54184","CuKα","","0.0312","0.0311","","","0.082","0.082","","","","","","1.062","","","","has coordinates","236342","2020-10-21","18:00:00",""
"4037562","14.3428","0.0012","9.8491","0.0008","15.27","0.0013","90","","94.761","0.002","90","","2149.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Zhao, Yulei; Zhang, Zheng; Liu, Xu; Wang, Zongkang; Cao, Ziping; Tian, Laijin; Yue, Mingbo; You, Jinmao","TBAF-Catalyzed O-Nucleophilic Cyclization of Enaminones: A Process for the Synthesis of Dihydroisobenzofuran Derivatives.","The Journal of organic chemistry","2019","84","3","1379","1386","10.1021/acs.joc.8b02842","","","0.71073","MoKα","","0.1239","0.049","","","0.1364","0.1948","","","","","","0.911","","","","has coordinates","236344","2020-10-21","18:00:00",""
"4037563","11.5522","0.0007","13.2766","0.0006","11.993","0.0005","90","","100.086","0.005","90","","1810.99","0.16","203.01","0.1","203.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H30 F2 N8 O14 -","- C36 H30 F2 N8 O14 -","- C72 H60 F4 N16 O28 -","2","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.0599","0.0523","","","0.1356","0.143","","","","","","1.038","","","","has coordinates","236347","2020-10-21","18:00:00",""
"4037564","17.54012","0.00018","27.5274","0.0002","24.5429","0.0002","90","","102.616","0.0009","90","","11564","0.18","250","0.1","250","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N12 O8 -","- C56 H80 N12 O8 -","- C448 H640 N96 O64 -","8","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.0928","0.0845","","","0.2597","0.274","","","","","","1.04","","","","has coordinates,has disorder","236349","2020-10-21","18:00:00",""
"4037565","19.8342","0.0004","20.3805","0.0005","24.4985","0.0005","107.004","0.002","100.146","0.0018","107.036","0.002","8675.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C168 H240 N36 O24 -","- C168 H240 N36 O24 -","- C336 H480 N72 O48 -","2","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.1857","0.1508","","","0.362","0.3775","","","","","","2.462","","","","has coordinates,has disorder","236351","2020-10-21","18:00:00",""
"4037566","7.5751","0.0006","15.3923","0.0012","14.2928","0.0013","90","","90.148","0.008","90","","1666.5","0.2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Chen, Zhengwang; Liang, Pei; Ma, Xiaoyue; Luo, Haiqing; Xu, Guohai; Liu, Tanggao; Wen, Xiaowei; Zheng, Jing; Ye, Hui","Catalyst-Free Annulation of 2-Pyridylacetates and Ynals with Molecular Oxygen: An Access to 3-Acylated Indolizines.","The Journal of organic chemistry","2019","84","3","1630","1639","10.1021/acs.joc.8b02883","","","0.71073","MoKα","","0.0733","0.0549","","","0.1247","0.1368","","","","","","1.046","","","","has coordinates","236353","2020-10-21","18:00:00",""
"4037567","11.156","0.0006","13.669","0.0007","15.093","0.0008","106.191","0.002","100.862","0.002","108.089","0.002","2003.41","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H17.5 Cl1.5 N O5 -","- C20.5 H17.5 Cl1.5 N O5 -","- C82 H70 Cl6 N4 O20 -","4","2","","Hu, Zhongyan; Zhang, Lingjuan; Li, Juanjuan; Yang, Wenhui; Wei, Qianwen; Xu, Xianxiu","Silver-Catalyzed Nucleophilic Addition of β-Dicarbonyls to Isocyano Group: Facile Access to Indolin-3-ol Derivatives.","The Journal of organic chemistry","2019","84","3","1563","1569","10.1021/acs.joc.8b03058","","","0.71069","MoKα","","0.1142","0.0783","","","0.2048","0.2462","","","","","","1.051","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037568","7.3816","0.0002","18.2822","0.0005","25.5946","0.0008","90","","90","","90","","3454.04","0.17","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0672","0.0547","","","0.1246","0.1334","","","","","","1.091","","","","has coordinates,has disorder","236356","2020-10-21","18:00:00",""
"4037569","8.8482","0.0004","9.1945","0.0005","22.0415","0.0009","81.339","0.004","78.471","0.004","73.473","0.004","1676.01","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","2","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0736","0.0625","","","0.1436","0.1498","","","","","","1.137","","","","has coordinates,has disorder","236358","2020-10-21","18:00:00",""
"4037570","7.1881","0.0019","16.816","0.006","10.435","0.004","90","","99.549","0.012","90","","1243.9","0.7","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Modha, Sachin G.; Pöthig, Alexander; Dreuw, Andreas; Bach, Thorsten","[6π] Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope.","The Journal of organic chemistry","2019","84","3","1139","1153","10.1021/acs.joc.8b03144","","x-ray","1.54178","CuKα","","0.0356","0.0333","","","0.0815","0.0832","","","","","","1.06","","","","has coordinates","236360","2020-10-21","18:00:00",""
"4037571","9.338","0.0004","15.7753","0.0007","8.6495","0.0004","90","","112.182","0.002","90","","1179.85","0.09","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Modha, Sachin G.; Pöthig, Alexander; Dreuw, Andreas; Bach, Thorsten","[6π] Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope.","The Journal of organic chemistry","2019","84","3","1139","1153","10.1021/acs.joc.8b03144","","x-ray","0.71073","MoKα","","0.0365","0.0318","","","0.0751","0.0783","","","","","","1.074","","","","has coordinates","236361","2020-10-21","18:00:00",""
"4037572","20.541","0.0012","5.8794","0.0004","10.1091","0.0006","90","","99.746","0.003","90","","1203.24","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Muñoz-Molina, José María; Pérez, Pedro J","Ruthenium-Catalyzed Heck-Type Alkenylation of Alkyl Bromides.","The Journal of organic chemistry","2019","84","12","8289","8296","10.1021/acs.joc.9b00898","","x-ray","0.71073","MoKα","","0.0711","0.0507","","","0.1341","0.1464","","","","","","1.068","","","","has coordinates","236366","2020-10-21","18:00:00",""
"4037573","10.0433","0.0001","17.29","0.0001","20.8133","0.0001","109.894","0.001","97.03","0.001","101.883","0.001","3252.13","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br N2 O5.5 S -","- C38 H30 Br N2 O5.5 S -","- C152 H120 Br4 N8 O22 S4 -","4","2","","Li, Xiaoping; Yan, Juzhang; Qin, Jialiang; Lin, Shilin; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Enantioselective Synthesis of Benzofuran-Fused N-Heterocycles via Chiral Squaramide Catalyzed [4 + 2] Cyclization of Azadienes with Azlactones.","The Journal of organic chemistry","2019","84","12","8035","8045","10.1021/acs.joc.9b00911","","","1.54178","CuKα","","0.034","0.0271","","","0.0676","0.073","","","","","","1.024","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037574","9.6195","0.0003","10.6241","0.0004","12.2816","0.0005","79.29","0.001","84.563","0.001","71.676","0.001","1169.87","0.07","150","2","149.98","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H19 N -","- C31 H19 N -","- C62 H38 N2 -","2","1","","Chen, Lu-Lu; Zhang, Jing-Wen; Yang, Wan-Wan; Fu, Ji-Ya; Zhu, Jun-Yan; Wang, Yan-Bo","Synthesis of 1-Cyano-3-acylnaphthalenes via Formal [4+2] Benzannulation of 2-(2-Alkynylphenyl)acetonitriles and Alkynones.","The Journal of organic chemistry","2019","84","12","8090","8099","10.1021/acs.joc.9b00948","","","0.71073","MoKα","","0.0619","0.0453","","","0.1056","0.1153","","","","","","1.037","","","","has coordinates","236371","2020-10-21","18:00:00",""
"4037575","15.5288","0.0004","15.8554","0.0004","9.4331","0.0003","90","","101.848","0.003","90","","2273.09","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N O -","- C31 H21 N O -","- C124 H84 N4 O4 -","4","1","","Chen, Lu-Lu; Zhang, Jing-Wen; Yang, Wan-Wan; Fu, Ji-Ya; Zhu, Jun-Yan; Wang, Yan-Bo","Synthesis of 1-Cyano-3-acylnaphthalenes via Formal [4+2] Benzannulation of 2-(2-Alkynylphenyl)acetonitriles and Alkynones.","The Journal of organic chemistry","2019","84","12","8090","8099","10.1021/acs.joc.9b00948","","x-ray","1.54184","CuKα","","0.0656","0.0498","","","0.1284","0.144","","","","","","1.041","","","","has coordinates","236372","2020-10-21","18:00:00",""
"4037576","5.7414","0.0001","16.5338","0.0004","23.6498","0.0006","90","","90","","90","","2245.01","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br O3 S Se -","- C23 H23 Br O3 S Se -","- C92 H92 Br4 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0484","0.0351","","","0.0595","0.0636","","","","","","1.034","","","","has coordinates","236374","2020-10-21","18:00:00",""
"4037577","5.76106","0.00011","16.4713","0.0004","23.1761","0.0006","90","","90","","90","","2199.23","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O3 S Se -","- C24 H24 O3 S Se -","- C96 H96 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0566","0.0393","","","0.0775","0.0839","","","","","","1.064","","","","has coordinates","236375","2020-10-21","18:00:00",""
"4037578","9.9188","0.0002","9.9188","0.0002","74.552","0.002","90","","90","","120","","6352","0.2","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C25 H21 F3 N2 O -","- C25 H21 F3 N2 O -","- C300 H252 F36 N24 O12 -","12","2","","Wang, Xin-Wei; Chen, Mu-Wang; Wu, Bo; Wang, Baomin; Zhou, Yong-Gui","Chiral Phosphoric Acid-Catalyzed Synthesis of Fluorinated 5,6-Dihydroindolo[1,2- c]quinazolines with Quaternary Stereocenters.","The Journal of organic chemistry","2019","84","12","8300","8308","10.1021/acs.joc.9b00985","","","1.54178","CuKα","","0.0602","0.0432","","","0.0969","0.1092","","","","","","1.041","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037579","6.4612","0.0002","11.7915","0.0004","15.9166","0.0005","90","","100.808","0.002","90","","1191.13","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0458","0.0381","","","0.0949","0.0993","","","","","","1.115","","","","has coordinates","236379","2020-10-21","18:00:00",""
"4037580","8.7751","0.0004","10.6282","0.0005","10.8238","0.0005","99.719","0.002","100.404","0.002","98.862","0.002","960.72","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0587","0.051","","","0.1218","0.1269","","","","","","1.128","","","","has coordinates","236380","2020-10-21","18:00:00",""
"4037581","9.5833","0.0004","12.0583","0.0005","13.2284","0.0006","103.165","0.002","101.617","0.002","90.07","0.002","1456.21","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","2","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.1579","0.0964","","","0.2553","0.2765","","","","","","1.045","","","","has coordinates","236382","2020-10-21","18:00:00",""
"4037582","7.8437","0.0002","11.9146","0.0003","20.1565","0.0006","90","","90","","90","","1883.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0366","0.0326","","","0.0781","0.0807","","","","","","1.105","","","","has coordinates","236383","2020-10-21","18:00:00",""
"4037583","5.5475","0.0012","22.29","0.005","8.951","0.002","90","","92.56","0.003","90","","1105.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Zhao, Peng; Wu, Xia; Geng, Xiao; Wang, Can; Zhou, You; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>/PhI(OAc)<sub>2</sub> Copromoted Amination Reaction: Synthesis of α-Dicarbonylsulfoximine Derivatives by Incorporating an Intact Dimethyl Sulfoxide.","The Journal of organic chemistry","2019","84","12","8322","8329","10.1021/acs.joc.9b01160","","","0.71073","MoKα","","0.051","0.0457","","","0.1431","0.1468","","","","","","1.095","","","","has coordinates","236385","2020-10-21","18:00:00",""
"4037584","18.901","0.003","18.901","0.003","17.635","0.003","90","","90","","90","","6300.1","1.8","113","2","113","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C42 H30 F2 Ge -","- C42 H30 F2 Ge -","- C336 H240 F16 Ge8 -","8","0.5","","Okamura, Kazuma; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Gear Slippage in Molecular Bevel Gears Bridged with a Group 14 Element.","The Journal of organic chemistry","2019","84","22","14636","14643","10.1021/acs.joc.9b02214","","","0.71073","MoKα","","0.0618","0.0493","","","0.1335","0.1393","","","","","","1.059","","","","has coordinates","236389","2020-10-21","18:00:00",""
"4037627","6.1597","0.0005","21.6415","0.0017","9.9582","0.0008","90","","98.754","0.001","90","","1312.02","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl (Z)-4-(1-hydroxy-4,4-dimethyl-3-oxopent-1-en-1-yl)benzoate","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Liu, Xiaochen; Hong, Dongsub; Sapir, Netanel G.; Yang, Wen; Hersh, William H.; Leung, Pak-Hing; Yang, Dingqiao; Chen, Yu","Iron-Catalyzed Transfer Hydrogenation in Aged <i>N</i>-Methyl-2-pyrrolidone: Reductive Ring-Opening of 3,5-Disubstituted Isoxazoles and Isoxazolines.","The Journal of organic chemistry","2019","84","24","16204","16213","10.1021/acs.joc.9b02733","","","0.71073","MoKα","","0.0387","0.0362","","","0.0921","0.0942","","","","","","1.029","","","","has coordinates","246577","2020-10-21","18:00:00",""
"4037631","14.2282","0.0014","9.0871","0.0009","16.8947","0.0016","90","","94.998","0.003","90","","2176.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti","Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone.","The Journal of organic chemistry","2019","84","24","16124","16138","10.1021/acs.joc.9b02608","","","0.71073","MoKα","","0.1987","0.0801","","","0.1603","0.2108","","","","","","1.01","","","","has coordinates","246578","2020-10-21","18:00:00",""
"4037632","5.757","0.004","12.135","0.008","11.539","0.007","90","","102.075","0.007","90","","788.3","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti","Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone.","The Journal of organic chemistry","2019","84","24","16124","16138","10.1021/acs.joc.9b02608","","x-ray","0.71073","MoKα","","0.0378","0.0347","","","0.096","0.099","","","","","","1.039","","","","has coordinates","246578","2020-10-21","18:00:00",""
"4037653","11.082","0.002","11.691","0.002","13.348","0.003","71.65","0.03","70.54","0.03","64.18","0.03","1438.1","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H41 Cl N2 O2 S -","- C31 H41 Cl N2 O2 S -","- C62 H82 Cl2 N4 O4 S2 -","2","1","","Deng, Zhiqiang; Li, Guo-Xing; He, Gang; Chen, Gong","Photoredox-Mediated Remote C(sp<sup>3</sup>)-H Heteroarylation of <i>N</i>-Alkyl Sulfonamides.","The Journal of organic chemistry","2019","84","24","15777","15787","10.1021/acs.joc.9b02502","","","0.71073","MoKα","","0.0776","0.048","","","0.1183","0.16","","","","","","0.994","","","","has coordinates","246579","2020-10-21","18:00:00",""