# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T03:00:17+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 = 85 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
"4037628","12.6965","0.0013","17.3542","0.0018","19.577","0.002","78.42","0.003","87.087","0.003","80.742","0.003","4169.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H105.5 Cl1.5 N8 Si4 -","- C91 H105.5 Cl1.5 N8 Si4 -","- C182 H211 Cl3 N16 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.191","0.1222","","","0.3172","0.3785","","","","","","1.026","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037629","15.2399","0.0007","16.3922","0.0009","17.7725","0.001","101.974","0.0018","113.986","0.0015","106.368","0.0015","3619.9","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H98 N4 Si4 -","- C78 H98 N4 Si4 -","- C156 H196 N8 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1012","0.0629","","","0.155","0.1807","","","","","","1.028","","","","has coordinates","246575","2020-10-21","18:00:00",""
"4037630","12.4305","0.0009","25.215","0.002","21.1193","0.0019","90","","93.47","0.003","90","","6607.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 N4 Si4 -","- C70 H94 N4 Si4 -","- C280 H376 N16 Si16 -","4","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1802","0.0836","","","0.1983","0.2565","","","","","","1.023","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037717","13.575","0.0007","20.2391","0.0011","20.8569","0.0011","90","","90.607","0.002","90","","5730","0.5","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C143 H121 Cl2 O13 -","- C143 H121 Cl2 O13 -","- C286 H242 Cl4 O26 -","2","1","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","1.54178","CuKα","","0.0454","0.0433","","","0.1199","0.1221","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037718","21.4937","0.0008","9.3227","0.0004","21.3572","0.0009","90","","104.637","0.002","90","","4140.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 S2 -","- C26 H18 O2 S2 -","- C208 H144 O16 S16 -","8","2","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","0.71073","MoKα","","0.0521","0.038","","","0.0878","0.0935","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4038011","10.0957","0.0006","16.5247","0.0007","16.6164","0.0007","73.814","0.004","74.718","0.004","89.583","0.004","2561.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(isobutyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C51 H68 Cl3 N O8 -","- C51 H68 Cl3 N O8 -","- C102 H136 Cl6 N2 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0568","0.0515","","","0.1416","0.148","","","","","","1.066","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038012","15.8596","0.0007","18.1191","0.0008","20.983","0.0009","101.411","0.004","95.612","0.004","107.98","0.004","5539.7","0.5","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2,4,6,8-Tetra(n-heptyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C60.5 H90 O8.5 -","- C60.5 H90 O8.5 -","- C242 H360 O34 -","4","2","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.1169","0.0795","","","0.2143","0.2547","","","","","","1.028","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038013","11.605","0.0002","17.8076","0.0005","20.157","0.0005","83.974","0.002","77.65","0.002","75.603","0.002","3935.5","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(n-undecyl)-1^5^,5^5^-dibromo-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C78 H121 Br2 Cl5 O8 -","- C78 H121 Br2 Cl5 O8 -","- C156 H242 Br4 Cl10 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0781","0.0731","","","0.2174","0.2264","","","","","","1.046","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038014","12.5156","0.0004","18.1763","0.0005","13.11","0.0003","90","","94.555","0.003","90","","2972.94","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2,4,6,8-Tetra(cyclohexyl)-5^4^,5^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,3^4^,3^6^-tetrol","","- C56 H72 O8 -","- C56 H72 O8 -","- C112 H144 O16 -","2","0.5","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0671","0.0587","","","0.17","0.1784","","","","","","1.038","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038018","12.2331","0.0003","8.2123","0.0002","14.7327","0.0003","90","","105.743","0.001","90","","1424.55","0.06","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0691","0.0466","","","0.123","0.1417","","","","","","1.041","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038019","13.1743","0.001","8.2226","0.0006","13.5","0.001","90","","111.313","0.003","90","","1362.4","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0581","0.0406","","","0.1004","0.1115","","","","","","1.016","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038020","13.194","0.003","8.3516","0.0017","13.506","0.003","90","","110.722","0.013","90","","1392","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.1033","0.052","","","0.1333","0.1647","","","","","","1.014","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038021","4.623","0.005","22.358","0.005","13.545","0.005","90","0.005","96.486","0.005","90","0.005","1391.1","1.6","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.1083","0.0532","","","0.1479","0.1866","","","","","","1.026","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038022","17.0774","0.0015","3.9635","0.0004","59.803","0.006","90","","90.802","0.007","90","","4047.4","0.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C252 H156 N12 -","12","3","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.2123","0.0833","","","0.204","0.2702","","","","","","1.37","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038023","9.3677","0.0002","8.1391","0.0002","11.6155","0.0003","90","","99.766","0.001","90","","872.79","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0553","0.0463","","","0.1304","0.1405","","","","","","1.107","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038024","11.0286","0.0006","5.467","0.0003","13.9855","0.0008","90","","91.742","0.003","90","","842.84","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0928","0.0773","","","0.2027","0.2241","","","","","","1.049","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038025","10.979","0.003","5.4664","0.001","13.966","0.002","90","","91.652","0.008","90","","837.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0628","0.0404","","","0.1031","0.1164","","","","","","1.037","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038026","3.7918","0.0012","9.006","0.003","24.601","0.011","90","","90.484","0.019","90","","840.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0679","0.0425","","","0.0793","0.086","","","","","","0.867","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038027","5.589","0.005","20.882","0.005","7.697","0.005","90","0.005","103.696","0.005","90","0.005","872.8","1","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.0552","0.0427","","","0.1191","0.1309","","","","","","1.032","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038028","12.53","0.003","10.289","0.002","13.803","0.003","90","","104.918","0.014","90","","1719.5","0.7","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N -","- C13 H8 N -","- C104 H64 N8 -","8","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.1348","0.1154","","","0.3096","0.3471","","","","","","1.496","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038029","12.2463","0.0003","30.2305","0.0009","9.5734","0.0002","90","","95.933","0.002","90","","3525.2","0.16","172.99","0.1","172.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0649","0.0415","","","0.0987","0.1166","","","","","","0.988","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038030","12.305","0.0004","30.386","0.0013","9.6833","0.0003","90","","96.608","0.003","90","","3596.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0876","0.0511","","","0.1249","0.1539","","","","","","1.004","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038031","9.6837","0.001","12.097","0.0012","12.2653","0.0012","89.133","0.006","66.936","0.005","75.404","0.005","1273.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C68 H64 N4 -","2","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0931","0.069","","","0.193","0.2196","","","","","","1.025","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038035","5.312","0.002","11.535","0.005","13.242","0.006","90","","90","","90","","811.4","0.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Hocine, Sofiane; Berger, Gilles; Hanessian, Stephen","Design and Synthesis of Backbone-Fused, Conformationally Constrained Morpholine-Proline Chimeras.","The Journal of organic chemistry","2020","85","6","4237","4247","10.1021/acs.joc.9b03413","","x-ray","1.54178","CuKα","","0.1054","0.0649","","","0.1316","0.1579","","","","","","0.911","","","","has coordinates","250094","2020-10-21","18:00:00",""
"4038038","4.8245","0.0005","13.1695","0.0012","26.813","0.003","90","","90.043","0.01","90","","1703.6","0.3","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Igawa, Kazunobu; Kawasaki, Yuuya; Nozaki, Sora; Kokan, Naoto; Tomooka, Katsuhiko","Ozone Oxidation of Silylalkene: Mechanistic Study and Application for the Synthesis of Silacarboxylic Acid Derivatives.","The Journal of organic chemistry","2020","85","6","4165","4171","10.1021/acs.joc.9b03350","","x-ray","0.71073","MoKα","","0.1219","0.0715","","","0.17","0.193","","","","","","1.032","","","","has coordinates,has disorder","250089","2020-10-21","18:00:00",""
"4038046","10.122","0.013","5.827","0.005","8.812","0.011","90","","106.72","0.06","90","","497.8","1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H2 F2 N4 -","- C12 H2 F2 N4 -","- C24 H4 F4 N8 -","2","0.25","","Liu, En-Chih; Topczewski, Joseph J.","Gram-Scale Synthesis of 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F<sub>2</sub>-TCNQ).","The Journal of organic chemistry","2020","85","6","4560","4564","10.1021/acs.joc.0c00053","","","0.71073","MoKα","","0.0414","0.0339","","","0.0956","0.101","","","","","","1.102","","","","has coordinates","250095","2020-10-21","18:00:00",""
"4038047","5.8237","0.0003","8.8525","0.0004","19.1618","0.001","90","","92.943","0.003","90","","986.57","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 F N O2 S -","- C9 H12 F N O2 S -","- C36 H48 F4 N4 O8 S4 -","4","1","","Emenike, Bright U.; Dhami, Simran S.","Determining the Ionization Constants of Organic Acids Using Fluorine Gauche Effects.","The Journal of organic chemistry","2020","85","7","4896","4900","10.1021/acs.joc.0c00062","","","0.71073","MoKα","","0.0292","0.0283","","","0.0808","0.0817","","","","","","1.049","","","","has coordinates","250110","2020-10-21","18:00:00",""
"4038052","9.2518","0.0009","13.2729","0.0013","20.695","0.002","90","","90.325","0.002","90","","2541.3","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N3 -","- C20 H15 Cl N3 -","- C120 H90 Cl6 N18 -","6","3","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Synthesis of 4-Azaindolines Using Phase-Transfer Catalysis via an Intramolecular Mannich Reaction.","The Journal of organic chemistry","2020","85","6","4047","4057","10.1021/acs.joc.9b03025","","","0.71073","MoKα","","0.0966","0.0591","","","0.1325","0.1538","","","","","","1.019","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4038053","7.532","0.007","9.197","0.009","22.1","0.02","90","","90","","90","","1531","2","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F3 N2 O2 S -","- C17 H13 F3 N2 O2 S -","- C68 H52 F12 N8 O8 S4 -","4","1","","Wang, Wei; Xiong, Wenhui; Wang, Jinping; Wang, Qiu-An; Yang, Wen","Brønsted Acid-Catalyzed Asymmetric Friedel-Crafts Alkylation of Indoles with Benzothiazole-Bearing Trifluoromethyl Ketone Hydrates.","The Journal of organic chemistry","2020","85","6","4398","4407","10.1021/acs.joc.0c00116","","","0.71073","MoKα","","0.0535","0.0414","","","0.0873","0.0929","","","","","","1.082","","","","has coordinates","250093","2020-10-21","18:00:00",""
"4038055","16.003","0.003","7.6071","0.0015","11.779","0.002","90","","108.82","0.03","90","","1357.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F0 N2 O0 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Jia, Chunqi; Wu, Nini; Cai, Xiaofeng; Li, Gang; Zhong, Lei; Zou, Lei; Cui, Xiuling","Ruthenium-Catalyzed <i>meta</i>-Selective C<sub>Ar</sub>-H Bond Formylation of Arenes.","The Journal of organic chemistry","2020","85","6","4536","4542","10.1021/acs.joc.0c00007","","","0.71073","MoKα","","0.108","0.081","","","0.2426","0.2565","","","","","","1.087","","","","has coordinates","250091","2020-10-21","18:00:00",""
"4038056","7.789","0.004","10.907","0.006","20.566","0.013","90","","90","","90","","1747.2","1.7","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","oxa[5]helicene 1a","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]furan","","- C26 H15 F O -","- C26 H15 F O -","- C104 H60 F4 O4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","","0.71073","MoKα","","0.0416","0.0372","","","0.1107","0.1164","","","","","","0.95","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038057","12.8863","0.0005","18.6245","0.0007","7.636","0.0003","90","","97.048","0.002","90","","1818.8","0.12","173","2","173.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]thiophene","","- C26 H15 F S -","- C26 H15 F S -","- C104 H60 F4 S4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","x-ray","0.71073","MoKα","","0.0434","0.0376","","","0.1244","0.1323","","","","","","0.985","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038061","16.5513","0.0001","9.6657","0.0001","25.6444","0.0002","90","","90","","90","","4102.59","0.06","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C152 H184 N56 O16 S8 -","8","2","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0378","0.037","","","0.0979","0.0987","","","","","","1.031","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038062","6.2963","0.0002","12.2014","0.0003","12.3922","0.0004","89.249","0.002","79.699","0.003","81.512","0.003","926.32","0.05","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Cl N4 O2 S -","- C18 H21 Cl N4 O2 S -","- C36 H42 Cl2 N8 O4 S2 -","2","1","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0336","0.0326","","","0.0898","0.0905","","","","","","1.059","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038063","17.907","0.003","9.0483","0.0014","25.336","0.005","90","","109.74","0.02","90","","3863.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 F6 N7 O12 -","- C34 H35 F6 N7 O12 -","- C136 H140 F24 N28 O48 -","4","1","","Niedbała, Patryk; Majdecki, Maciej; Dąbrowa, Kajetan; Jurczak, Janusz","Selective Carboxylate Recognition Using Urea-Functionalized Unclosed Cryptands: Mild Synthesis and Complexation Studies.","The Journal of organic chemistry","2020","85","7","5058","5064","10.1021/acs.joc.9b03082","","","1.54184","CuKα","","0.2292","0.1375","","","0.3305","0.4233","","","","","","1.068","","","","has coordinates,has disorder","250113","2020-10-21","18:00:00",""
"4038064","5.7052","0.0002","48.2715","0.0012","7.5578","0.0002","90","","106.145","0.003","90","","1999.32","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Br N5 -","- C22 H22 Br N5 -","- C88 H88 Br4 N20 -","4","1","","Kour, Jaspreet; Venkateswarlu, Vunnam; Verma, Praveen K.; Hussain, Yaseen; Dubey, Gurudutt; Bharatam, Prasad V.; Sahoo, Subash C.; Sawant, Sanghapal D.","Oxone-DMSO Triggered Methylene Insertion and C(sp<sup>2</sup>)-C(sp<sup>3</sup>)-H-C(sp<sup>2</sup>) Bond Formation to Access Functional Bis-Heterocycles.","The Journal of organic chemistry","2020","85","7","4951","4962","10.1021/acs.joc.9b03477","","x-ray","0.71073","MoKα","","0.0696","0.0457","","","0.0878","0.0949","","","","","","1.037","","","","has coordinates,has disorder","250115","2020-10-21","18:00:00",""
"4038066","8.26368","0.00003","7.69518","0.00004","12.43341","0.00005","90","","95.7545","0.0004","90","","786.662","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","x-ray","1.54184","CuKα","","0.0265","0.0265","","","0.0705","0.0706","","","","","","1.112","","","","has coordinates","250114","2020-10-21","18:00:00",""
"4038067","31.4966","0.0006","12.8222","0.0003","12.3149","0.0003","90","","109.069","0.001","90","","4700.53","0.18","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 O13 -","- C20 H23 O13 -","- C160 H184 O104 -","8","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","","1.54178","CuKα","","0.0636","0.0604","","","0.1796","0.1857","","","","","","1.044","","","","has coordinates,has disorder","250114","2020-10-21","18:00:00",""
"4038069","13.2254","0.0003","7.5242","0.0002","30.3701","0.0008","90","","90","","90","","3022.15","0.13","190","2","190","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","1","","Bhujanga Rao, Chitturi; Zhang, Ning; Hu, Jiana; Wang, Yu; Liang, Yongjiu; Zhang, Rui; Yuan, Jingwen; Dong, Dewen","Tf<sub>2</sub>O-Mediated Cyclization of α-Acyl-β-(2-aminopyridinyl)acrylamides: Access to N-Substituted 4<i>H</i>-Pyrido[1,2-<i>a</i>]pyrimidin-4-imines.","The Journal of organic chemistry","2020","85","7","4695","4705","10.1021/acs.joc.9b03495","","","1.54178","CuKα","","0.0403","0.0372","","","0.0965","0.0998","","","","","","1.089","","","","has coordinates","250099","2020-10-21","18:00:00",""
"4038070","15.9019","0.0011","15.189","0.001","9.7547","0.0004","90","","95.855","0.006","90","","2343.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N4 O2 S -","- C27 H25 F N4 O2 S -","- C108 H100 F4 N16 O8 S4 -","4","1","","De, Pinaki Bhusan; Atta, Sayan; Pradhan, Sourav; Banerjee, Sonbidya; Shah, Tariq A.; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed C-7 C-C Coupling of Indolines with Aziridines: Merging C-H Activation and Ring Opening.","The Journal of organic chemistry","2020","85","7","4785","4794","10.1021/acs.joc.0c00010","","","0.71073","MoKα","","0.1295","0.0745","","","0.1685","0.2036","","","","","","0.956","","","","has coordinates","250100","2020-10-21","18:00:00",""
"4038072","9.6553","0.0002","11.4","0.0003","11.05","0.0003","90","","109.035","0.001","90","","1149.77","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C52 H72 N8 O4 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0685","0.0503","","","0.1331","0.1491","","","","","","1.012","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038073","30.3546","0.0018","5.078","0.0003","20.1975","0.0012","90","","113.604","0.001","90","","2852.8","0.3","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0384","0.0362","","","0.093","0.0949","","","","","","1.043","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038074","12.9004","0.0002","7.7842","0.0001","13.685","0.0003","90","","104.82","0.001","90","","1328.52","0.04","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.058","0.048","","","0.1295","0.1367","","","","","","1.04","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038075","9.1272","0.0002","9.8101","0.0002","19.409","0.0005","81.582","0.001","82.675","0.001","85.338","0.001","1701.63","0.07","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","2","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0562","0.0473","","","0.1343","0.1431","","","","","","1.003","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038076","5.4537","0.0001","10.2807","0.0003","14.458","0.0004","71.75","0.001","81.119","0.001","85.2","0.001","760.08","0.03","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0528","0.0396","","","0.1026","0.1097","","","","","","1.066","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038077","5.7211","0.0004","8.2943","0.0006","11.0522","0.0007","92.866","0.004","91.401","0.004","99.979","0.004","515.58","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","1","0.5","","Das, Tamal Kanti; Madica, Krishnaprasad; Krishnan, Jagadeesh; Marelli, Udaya Kiran; Biju, Akkattu T.","N-Heterocyclic Carbene Catalysis Exploiting Oxidative Imine Umpolung for the Generation of Imidoyl Azoliums.","The Journal of organic chemistry","2020","85","7","5114","5121","10.1021/acs.joc.0c00360","","","0.71073","MoKα","","0.0706","0.041","","","0.1031","0.1193","","","","","","1.03","","","","has coordinates","250104","2020-10-21","18:00:00",""
"4038078","11.4534","0.0006","27.6502","0.0015","9.7523","0.0005","90","","90","","90","","3088.4","0.3","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C176 H120 N24 -","8","1","","Yee, Nathan; Dadvand, Afshin; Perepichka, Dmitrii F.","Serendipitous Formation of Semiconducting Semi-Nindigo Indigoid by the Degradation of Diindolopyrrole.","The Journal of organic chemistry","2020","85","7","5073","5077","10.1021/acs.joc.0c00054","","x-ray","1.34139","GaKα","","0.0663","0.0551","","","0.1256","0.1328","","","","","","1.107","","","","has coordinates","250111","2020-10-21","18:00:00",""
"4038079","12.0036","0.0003","24.1961","0.0006","15.6222","0.0004","90","","107.779","0.003","90","","4320.6","0.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 B2 N O4 -","- C20 H33 B2 N O4 -","- C160 H264 B16 N8 O32 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","1.54184","CuKα","","0.0652","0.0607","","","0.162","0.1688","","","","","","1.058","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038080","15.7533","0.0006","20.3581","0.0009","28.1812","0.0012","90","","90","","90","","9037.9","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Al N5 -","- C42 H55 Al N5 -","- C336 H440 Al8 N40 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","0.71073","MoKα","","0.1481","0.0917","","","0.2864","0.345","","","","","","1.055","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038081","10.0988","0.0002","9.9019","0.0002","13.2271","0.0003","90","","97.768","0.001","90","","1310.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","0.71073","MoKα","","0.0372","0.0318","","","0.0758","0.0794","","","","","","1.052","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038082","8.3713","0.001","12.9078","0.0015","13.4996","0.0015","73.9","0.004","73.965","0.004","79.977","0.004","1339.4","0.3","274","2","274","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br N2 O5 S -","- C28 H29 Br N2 O5 S -","- C56 H58 Br2 N4 O10 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","1.54178","cukα","","0.0486","0.0472","","","0.1154","0.1178","","","","","","1.061","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038083","12.1056","0.0003","18.4895","0.0005","27.4703","0.0007","90","","96.269","0.002","90","","6111.8","0.3","220","0.1","220","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C224 H352.8 Cl12 F3.6 N32 O36.4 -","4","1","","Delecluse, Magalie; Colomban, Cédric; Chatelet, Bastien; Chevallier-Michaud, Sabine; Moraleda, Delphine; Dutasta, Jean-Pierre; Martinez, Alexandre","Highly Selective Fluoride Recognition by a Small Tris-Urea Covalent Cage.","The Journal of organic chemistry","2020","85","7","4706","4711","10.1021/acs.joc.9b03429","","x-ray","1.54184","CuKα","","0.1206","0.0894","","","0.2549","0.287","","","","","","1.021","","","","has coordinates,has disorder","250105","2020-10-21","18:00:00",""
"4038084","7.3636","0.001","27.079","0.004","11.2689","0.0015","90","","95.314","0.002","90","","2237.3","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C92 H144 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0665","0.0428","","","0.0891","0.0989","","","","","","1.02","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038085","10.142","0.003","11.29","0.003","13.629","0.003","83.009","0.003","73.442","0.003","70.541","0.003","1409.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H46 O5 Si -","- C27 H46 O5 Si -","- C54 H92 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0461","0.0407","","","0.1144","0.1197","","","","","","1.01","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038086","13.152","0.002","16.857","0.003","12.706","0.002","90","","107.727","0.003","90","","2683.2","0.8","296","2","296.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H42 O7 -","- C27 H42 O7 -","- C108 H168 O28 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1257","0.0773","","","0.1928","0.231","","","","","","1.026","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038087","9.5936","0.0012","11.1608","0.0015","14.6705","0.0018","69.414","0.007","79.03","0.007","68.15","0.007","1361.7","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H42 O5 Si -","- C25 H42 O5 Si -","- C50 H84 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0658","0.0475","","","0.1211","0.1335","","","","","","1.028","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038088","13.878","0.007","17.626","0.008","20.717","0.01","90","","97.877","0.009","90","","5020","4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C200 H304 O40 -","8","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1122","0.0566","","","0.1289","0.1567","","","","","","1.003","","","","has coordinates,has disorder","250108","2020-10-21","18:00:00",""
"4038089","11.6702","0.0002","18.6897","0.0003","21.5803","0.0004","90","","90","","90","","4706.93","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C200 H320 O40 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","1.54178","CuKα","","0.0421","0.0391","","","0.1089","0.1113","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4038090","8.674","0.001","11.5004","0.0013","23.904","0.003","90","","90","","90","","2384.5","0.5","150","2","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O6 -","- C25 H40 O6 -","- C100 H160 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0617","0.0383","","","0.0977","0.1138","","","","","","0.676","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038091","8.2593","0.0009","28.326","0.003","10.769","0.0012","90","","90.695","0.001","90","","2519.3","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O5 Si -","- C24 H42 O5 Si -","- C96 H168 O20 Si4 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0443","0.0372","","","0.0925","0.0964","","","","","","1.043","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038092","8.5906","0.001","7.0884","0.0008","20.553","0.002","90","","90","","90","","1251.5","0.2","100","2","100.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C56 H64 O24 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0546","0.0425","","","0.0991","0.1043","","","","","","1.075","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4038093","7.8382","0.0005","16.7731","0.0011","9.7678","0.0006","90","","101.18","0.001","90","","1259.81","0.14","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0394","0.0363","","","0.0947","0.0975","","","","","","1.039","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038094","13.1931","0.0007","9.645","0.0005","15.711","0.0008","90","","98.127","0.001","90","","1979.11","0.18","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0422","0.0363","","","0.0929","0.0966","","","","","","1.045","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038095","32.983","0.005","19.298","0.003","31.32","0.004","90","","98.677","0.002","90","","19707","5","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N2 O4 -","- C27 H38 N2 O4 -","- C864 H1216 N64 O128 -","32","4","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1303","0.0688","","","0.1778","0.2284","","","","","","1.014","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038096","5.9092","0.0007","7.1583","0.0009","9.1902","0.0011","92.766","0.001","105.442","0.001","108.026","0.001","352.68","0.07","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H12 O3 -","- C7 H12 O3 -","- C14 H24 O6 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0346","0.0339","","","0.0902","0.0908","","","","","","1.079","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038097","13.0633","0.0008","7.8253","0.0005","13.0916","0.0008","90","","106.413","0.001","90","","1283.74","0.14","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0242","0.0231","","","0.0565","0.0572","","","","","","1.041","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038098","13.1127","0.0007","7.7038","0.0004","14.0568","0.0007","90","","97.859","0.004","90","","1406.65","0.13","170","0.1","170","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H35 F3 O6 Si -","- C25 H35 F3 O6 Si -","- C50 H70 F6 O12 Si2 -","2","1","","Kim, Jae Hyun; Song, Yeonghun; Kim, Min Jung; Kim, Sanghee","Asymmetric Total Synthesis of Inthomycins A, B, and C.","The Journal of organic chemistry","2020","85","7","4795","4806","10.1021/acs.joc.0c00017","","x-ray","0.71073","MoKα","","0.0658","0.0484","","","0.0953","0.1043","","","","","","1.06","","","","has coordinates","250117","2020-10-21","18:00:00",""
"4038108","6.1955","0.0002","13.6351","0.0005","17.2061","0.0006","90","","90","","90","","1453.51","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 O6 P -","- C14 H17 O6 P -","- C56 H68 O24 P4 -","4","1","","Hernández-Guerra, Daniel; Kennedy, Alan R.; León, Elisa I; Martín, Ángeles; Pérez-Martín, Inés; Rodríguez, María S; Suárez, Ernesto","Synthetic Approaches to Phosphasugars (2-oxo-1,2-oxaphosphacyclanes) Using the Anomeric Alkoxyl Radical β-Fragmentation Reaction as the Key Step.","The Journal of organic chemistry","2020","85","7","4861","4880","10.1021/acs.joc.0c00059","","","0.71073","MoKα","","0.0637","0.046","","","0.0826","0.0897","","","","","","1.019","","","","has coordinates","250102","2020-10-21","18:00:00",""
"4038109","12.5295","0.001","6.114","0.0004","24.4215","0.0018","90","","104.339","0.003","90","","1812.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0891","0.0433","","","0.0976","0.1191","","","","","","1.005","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038110","20.5819","0.0009","12.8776","0.0005","13.9465","0.0006","90","","102.536","0.0017","90","","3608.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0757","0.0464","","","0.1206","0.1414","","","","","","1.03","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038111","14.253","0.0006","8.2293","0.0003","16.3693","0.0008","90","","98.613","0.002","90","","1898.34","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0529","0.039","","","0.093","0.1049","","","","","","1.052","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038112","9.7179","0.0009","12.4696","0.0012","7.5883","0.0008","90","","106.874","0.005","90","","879.95","0.15","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 Cl O2 -","- C23 H15 Cl O2 -","- C46 H30 Cl2 O4 -","2","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0662","0.0426","","","0.1006","0.1142","","","","","","1.041","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038113","8.1334","0.0003","31.8582","0.0016","9.231","0.0005","90","","110.33","0.002","90","","2242.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0808","0.0472","","","0.1025","0.122","","","","","","1.029","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038114","9.424","0.009","9.68","0.009","13.829","0.01","90","","94.214","0.006","90","","1258.1","1.9","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0371","0.0339","","","0.0919","0.0947","","","","","","1.064","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038115","15.3775","0.0011","7.2583","0.0006","11.0501","0.0009","90","","90","","90","","1233.35","0.17","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.056","0.0475","","","0.1193","0.1243","","","","","","1.131","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038116","9.559","0.013","5.316","0.005","17.355","0.016","90","","92.38","0.12","90","","881.1","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","1.54184","CuKα","","0.1021","0.0779","","","0.1968","0.2149","","","","","","1.455","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038117","13.357","0.01","12.364","0.009","7.308","0.005","90","","118.676","0.016","90","","1058.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C13 H6 Cl2 O2 -","- C13 H6 Cl2 O2 -","- C52 H24 Cl8 O8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0292","0.026","","","0.0992","0.104","","","","","","0.865","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038118","9.217","0.011","12.573","0.009","9.542","0.008","90","","99.09","0.05","90","","1091.9","1.8","100","","99.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O4 -","- C15 H8 O4 -","- C60 H32 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0409","0.0363","","","0.087","0.0901","","","","","","1.045","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038119","9.457","0.003","9.423","0.004","13.368","0.005","90","","90.586","0.016","90","","1191.2","0.8","109","2","109.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O3 S -","- C15 H8 O3 S -","- C60 H32 O12 S4 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0716","0.0562","","","0.1179","0.1227","","","","","","1.128","","","","has coordinates,has disorder","250097","2020-10-21","18:00:00",""
"4038120","11.825","0.015","17.04","0.03","16.23","0.02","90","","109.86","0.03","90","","3076","8","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 O4 -","- C21 H12 O4 -","- C168 H96 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0914","0.0684","","","0.1686","0.183","","","","","","1.09","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038121","17.395","0.008","9.112","0.004","10.203","0.003","90","","90","","90","","1617.2","1.1","100.01","","100.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H12 O4 -","- C23 H12 O4 -","- C92 H48 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0364","0.0342","","","0.0925","0.0944","","","","","","1.085","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038122","13.845","0.005","13.921","0.005","18.938","0.007","90","","90","","90","","3650","2","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 O4 -","- C25 H14 O4 -","- C200 H112 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.0794","0.0839","","","","","","1.074","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038123","8.351","0.004","21.414","0.006","13.48","0.004","90","","90","","90","","2410.6","1.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C33 H18 O4 -","- C33 H18 O4 -","- C132 H72 O16 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0375","0.0362","","","0.1175","0.1194","","","","","","1.071","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038124","5.3479","0.0008","17.257","0.003","28.107","0.004","90","","90","","90","","2594","0.7","100","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 Cl2 O4 -","- C34 H20 Cl2 O4 -","- C136 H80 Cl8 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0612","0.0496","","","0.1251","0.1312","","","","","","1.039","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038125","26.405","0.003","29.054","0.003","13.1898","0.0011","90","","105.232","0.003","90","","9763.4","1.7","100","2","99.89","","","","","","","","","6","C 1 2/m 1","-C 2y","12","none","","","- C132 H204 Cl36 Cu12 N48 O49.66 -","- C132 H204 Cl36 Cu12 N48 O49.664 -","- C264 H408 Cl72 Cu24 N96 O99.328 -","2","0.25","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0851","0.0617","","","0.119","0.1309","","","","","","1.059","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038126","11.471","0.001","7.8357","0.0007","24.225","0.003","90","","90.475","0.003","90","","2177.3","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Fe(L8)","","","- C13 H20 Cl2 F6 N4 O6 S2 -","- C13 H20 Cl2 F6 N4 O6 S2 -","- C52 H80 Cl8 F24 N16 O24 S8 -","4","1","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0437","0.0306","","","0.071","0.0778","","","","","","1.0641","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038127","8.3484","0.0009","8.596","0.0008","10.5662","0.0008","94.799","0.007","97.856","0.007","97.882","0.008","739.98","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Rinaldi, Antonia; Langé, Vittoria; Scarpi, Dina; Occhiato, Ernesto G.","One-Pot Access to 1,7a-Dihydro-1,3a-ethano-indene and 1,8a-Dihydro-1,3a-ethano-azulene Skeletons by a Sequential Gold(I)-Catalyzed Propargyl Claisen Rearrangement/Nazarov Cyclization/[4+2] Cycloaddition Reaction.","The Journal of organic chemistry","2020","85","7","5078","5086","10.1021/acs.joc.0c00088","","x-ray","1.54184","CuKα","","0.1385","0.0928","","","0.2293","0.3109","","","","","","1.071","","","","has coordinates","250103","2020-10-21","18:00:00",""
"4038128","7.7659","0.0004","24.493","0.0011","11.05","0.0005","90","","102.439","0.005","90","","2052.48","0.17","100","0.1","100","0","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1624","0.1103","","","0.2986","0.3674","","","","","","1.099","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038129","7.63396","0.00009","24.8669","0.0002","11.3736","0.0001","90","","102.352","0.001","90","","2109.1","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 S2 -","- C29 H22 S2 -","- C116 H88 S8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.037","0.0367","","","0.0983","0.0986","","","","","","1.078","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038130","30.826","0.003","30.826","0.003","10.4869","0.0012","90","","90","","90","","9965.1","1.8","100","0.1","100","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C33 H32 N2 -","- C33 H32 N2 -","- C528 H512 N32 -","16","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1888","0.0896","","","0.1662","0.2107","","","","","","0.897","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038131","25.198","0.002","8.1409","0.0003","17.1786","0.0008","90","","105.547","0.005","90","","3395","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H12 O S2 -","- C25 H12 O S2 -","- C200 H96 O8 S16 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","x-ray","1.54184","CuKα","","0.1119","0.0936","","","0.2509","0.2654","","","","","","1.038","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038132","4.8822","0.0002","24.2724","0.0011","18.1588","0.0008","90","","111.851","0.005","90","","1997.27","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","0.71073","MoKα","","0.0833","0.0541","","","0.1149","0.1275","","","","","","1.022","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038133","28.0545","0.0005","28.0545","0.0005","5.2665","0.0002","90","","90","","90","","4145.03","0.19","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C59 H52 N4 O -","- C59 H48 N4 O -","- C236 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0422","0.0392","","","0.1013","0.1034","","","","","","1.045","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038134","28.056","0.0004","28.056","0.0004","5.2757","0.0002","90","","90","","90","","4152.71","0.18","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C118 H99 N9 -","- C118 H96 N9 -","- C236 H192 N18 -","2","0.25","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0437","0.0398","","","0.0974","0.0992","","","","","","1.072","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038135","28.0572","0.0004","28.0572","0.0004","5.2734","0.0001","90","","90","","90","","4151.25","0.11","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C61 H54 N4 O -","- C61 H48 N4 O -","- C244 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0449","0.0441","","","0.1332","0.134","","","","","","1.087","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038187","11.6638","0.0003","7.5007","0.0002","27.8059","0.0008","90","","90","","90","","2432.65","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N3 O S -","- C14 H9 N3 O S -","- C112 H72 N24 O8 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0521","0.0391","","","0.0845","0.0914","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038188","13.0311","0.0013","10.4176","0.001","30.827","0.003","90","","90","","90","","4184.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O3 S -","- C24 H20 N4 O3 S -","- C192 H160 N32 O24 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.1051","0.0521","","","0.09","0.1022","","","","","","0.964","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038189","10.0149","0.0005","15.6728","0.0008","8.2966","0.0004","90","","102.539","0.002","90","","1271.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O S2 -","- C12 H13 N3 O S2 -","- C48 H52 N12 O4 S8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0307","0.0284","","","0.0783","0.0805","","","","","","1.086","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038190","11.4655","0.0007","12.7451","0.0008","15.4702","0.0011","90","","100.414","0.003","90","","2223.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O3 Se -","- C24 H26 N4 O3 Se -","- C96 H104 N16 O12 Se4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.036","0.0297","","","0.0738","0.0769","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038191","15.4232","0.0008","6.0725","0.0004","24.6911","0.0015","90","","102.638","0.003","90","","2256.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N5 O2 -","- C25 H25 N5 O2 -","- C100 H100 N20 O8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0923","0.0628","","","0.1673","0.1978","","","","","","1.072","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038192","5.6027","0.0002","14.3253","0.0006","17.1845","0.0007","90","","98.536","0.002","90","","1363.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0418","0.0309","","","0.0725","0.0777","","","","","","1.036","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038227","7.7122","0.0003","6.9375","0.0002","20.1264","0.0008","90","","94.982","0.003","90","","1072.76","0.07","190","4","190","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O3 S -","- C11 H10 N O3 S -","- C44 H40 N4 O12 S4 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.057","0.0479","","","0.1319","0.138","","","","","","1.062","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038228","8.7488","0.0003","16.633","0.0008","22.2697","0.001","90.008","0.004","89.96","0.004","90.013","0.003","3240.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O5 S2 -","- C16 H14 N2 O5 S2 -","- C128 H112 N16 O40 S16 -","8","4","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1869","0.1571","","","0.3869","0.3994","","","","","","1.065","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038229","7.0032","0.0002","10.8265","0.0002","11.8966","0.0002","101.805","0.002","104.363","0.002","100.367","0.002","829.63","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N2 O2 S -","- C17 H21 N2 O2 S -","- C34 H42 N4 O4 S2 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0615","0.0556","","","0.1592","0.1654","","","","","","1.055","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038230","27.2818","0.0014","14.841","0.0008","6.2806","0.0003","90","","90","","90","","2542.9","0.2","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C26 H28 N4 O4 S2 -","- C26 H28 N4 O4 S2 -","- C104 H112 N16 O16 S8 -","4","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0495","0.0445","","","0.095","0.097","","","","","","1.008","","","","has coordinates,has disorder","251472","2020-10-21","18:00:00",""
"4038231","9.7299","0.0005","13.0223","0.0007","13.4524","0.0005","94.656","0.004","107.814","0.004","103.627","0.005","1555.31","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N4 O6 S2 -","- C32 H32 N4 O6 S2 -","- C64 H64 N8 O12 S4 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1449","0.0847","","","0.2986","0.3266","","","","","","1.193","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038232","8.0998","0.0005","11.0792","0.0006","30.7422","0.0009","95.055","0.004","95.992","0.004","100.265","0.005","2683.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O4 S2 -","- C28 H32 N4 O4 S2 -","- C112 H128 N16 O16 S8 -","4","2","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1447","0.115","","","0.3299","0.3434","","","","","","1.1","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038233","8.4938","0.0003","8.723","0.0003","11.1325","0.0004","68.036","0.003","75.071","0.004","81.671","0.003","738.05","0.05","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.1067","0.0851","","","0.2877","0.3348","","","","","","1.346","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038234","8.575","0.0005","8.8529","0.0004","10.6185","0.0008","72.078","0.006","67.668","0.006","75.284","0.004","700.79","0.08","295.8","0.2","295.8","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","MoKα","","0.1269","0.1131","","","0.404","0.4095","","","","","","1.103","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038235","22.7162","0.0006","14.2568","0.0004","30.6478","0.0009","90","","90","","90","","9925.6","0.5","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","1","0.125","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.0685","0.0519","","","0.1309","0.1402","","","","","","1.032","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038236","16.76","0.005","25.156","0.011","6.3059","0.0013","90","","90","","90","","2658.7","1.5","301.45","0.1","301.45","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H28 N2 O4 S4 -","- C27 H28 N2 O4 S4 -","- C108 H112 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","synchrotron","","0.1394","0.0788","","","0.2057","0.2595","","","","","","0.9728","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038237","11.2696","0.0002","11.1966","0.0002","16.4635","0.0003","90","","96.598","0.002","90","","2063.63","0.06","298.89","0.1","298.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 S4 -","- C19 H20 N2 O4 S4 -","- C76 H80 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.0442","0.0379","","","0.103","0.1071","","","","","","1.099","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038238","9.2898","0.0008","11.6784","0.0009","12.1295","0.001","92.062","0.003","112.04","0.003","110.021","0.003","1125.43","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C50 H48 N4 O10 -","2","1","","Pradhan, Sourav; Roy, Subhasish; Banerjee, Sonbidya; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Oxidative C-H/N-H Annulation of Aromatic Amides with Dialkyl Malonates: Access to Isoindolinones and Dihydrobenzoindoles.","The Journal of organic chemistry","2020","85","8","5741","5749","10.1021/acs.joc.0c00466","","","0.71073","MoKα","","0.0805","0.052","","","0.1222","0.1443","","","","","","1.024","","","","has coordinates","251474","2020-10-21","18:00:00",""
"4038242","7.7803","0.0005","10.9236","0.0008","18.3596","0.0014","90","","102.166","0.002","90","","1525.32","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F2 N O S -","- C17 H15 F2 N O S -","- C68 H60 F8 N4 O4 S4 -","4","1","","Ye, Zhi-Peng; Xia, Peng-Ju; Liu, Fang; Hu, Yuan-Zhuo; Song, Dan; Xiao, Jun-An; Huang, Ping; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Visible-Light-Induced, Catalyst-Free Radical Cross-Coupling Cyclization of <i>N</i>-Allylbromodifluoroacetamides with Disulfides or Diselenides.","The Journal of organic chemistry","2020","85","8","5670","5682","10.1021/acs.joc.9b03490","","","0.71073","MoKα","","0.1613","0.1262","","","0.4134","0.4429","","","","","","1.752","","","","has coordinates,has disorder","251471","2020-10-21","18:00:00",""
"4038244","23.768","0.001","7.7729","0.0003","12.6433","0.0006","90","","95.457","0.003","90","","2325.22","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 B N O6 S -","- C23 H30 B N O6 S -","- C92 H120 B4 N4 O24 S4 -","4","1","","Demchuk, Oleksandr P.; Hryshchuk, Oleksandr V.; Vashchenko, Bohdan V.; Kozytskiy, Andriy V.; Tymtsunik, Andriy V.; Komarov, Igor V.; Grygorenko, Oleksandr O.","Photochemical [2 + 2] Cycloaddition of Alkenyl Boronic Derivatives: An Entry into 3-Azabicyclo[3.2.0]heptane Scaffold.","The Journal of organic chemistry","2020","85","9","5927","5940","10.1021/acs.joc.0c00265","","","0.71073","MoKα","","0.1342","0.0754","","","0.1665","0.1995","","","","","","1.031","","","","has coordinates,has disorder","251477","2020-10-21","18:00:00",""
"4038245","9.2209","","6.6668","","9.3831","","90","","99.2121","","90","","569.376","","90","","90","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C24 H30 Br2 N4 O4 -","2","0.5","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0178","","","","0.0465","","","","","","1.077","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038246","7.5174","0.0006","10.8721","0.0009","7.6231","0.0006","90","","92.3519","0.001","90","","622.51","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C24 H26 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0227","","","","0.0612","","","","","","1.055","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038247","12.5251","0.0019","7.7888","0.0012","16.98","0.003","90","","90","","90","","1656.5","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","1","0.125","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0365","","","","0.0908","","","","","","1.012","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038248","6.849","0.006","6.272","0.005","7.042","0.006","90","","106.901","0.01","90","","289.4","0.4","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H3 Br N2 O3 -","- C3 H3 Br N2 O3 -","- C6 H6 Br2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0255","","","","0.0673","","","","","","1.117","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038249","6.667","0.0013","6.7899","0.0014","11.05","0.002","81.39","0.03","86.15","0.03","75.78","0.03","479.18","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","furoxan","","","- C10 H5 Cl N2 O2 -","- C10 H5 Cl N2 O2 -","- C20 H10 Cl2 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.2031","0.1618","","","0.3953","0.4356","","","","","","1.55","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038250","6.5586","0.0013","7.4628","0.0014","8.5758","0.0017","90","","92.046","0.003","90","","419.48","0.14","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","furoxan","","","- C8 H5 Cl N2 O3 -","- C8 H5 Cl N2 O3 -","- C16 H10 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.0345","0.0312","","","0.0734","0.076","","","","","","1.03","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038251","5.9208","0.001","7.7879","0.0013","12.68","0.002","90","","90","","90","","584.68","0.17","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 Br2 N2 O2 -","- C2 Br2 N2 O2 -","- C8 Br8 N8 O8 -","4","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0273","","","","0.0646","","","","","","0.477","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038252","5.36","0.007","9.166","0.014","18.17","0.03","94.47","0.03","94.802","0.014","101.15","0.016","869","2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","2","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.1346","","","","0.4165","","","","","","1.082","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038253","5.5643","0.0019","9.865","0.004","10.798","0.004","112.164","0.005","95.909","0.006","103.111","0.005","522.8","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O2 -","- C10 H6 Cl2 N2 O2 -","- C20 H12 Cl4 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0373","","","","0.0889","","","","","","1.042","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038258","9.5224","0.0002","16.8906","0.0004","19.2805","0.0004","90","","97.05","0.002","90","","3077.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 P2 S2 -","- C36 H34 P2 S2 -","- C144 H136 P8 S8 -","4","1","","Kato, Yugo; Otomura, Nobutaka; Hirano, Koji; Miura, Masahiro","Synthesis of DPPP- and DPPPEN-Type Bidentate Ligands by Ring-Opening Diphosphination of Methylene- and Vinylcyclopropanes under Visible-Light-Promoted Photoredox Catalysis.","The Journal of organic chemistry","2020","85","9","5981","5994","10.1021/acs.joc.0c00417","","x-ray","0.71073","MoKα","","0.0471","0.0378","","","0.0957","0.1037","","","","","","1.106","","","","has coordinates","251479","2020-10-21","18:00:00",""
"4038259","27.7624","0.0004","9.77817","0.00018","10.50269","0.00019","90","","92.3518","0.0015","90","","2848.72","0.08","100","5","100","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 F3 S -","- C16 H17 F3 S -","- C128 H136 F24 S8 -","8","1","","Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Generation and NMR Study of Short-Lived and Reactive Trifluoroalkyl Carbocations of the α-Halogenothiophene Series in Brønsted Superacids: Reactions of the Cations with Arenes.","The Journal of organic chemistry","2020","85","9","5872","5883","10.1021/acs.joc.0c00170","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1183","0.121","","","","","","1.086","","","","has coordinates","251480","2020-10-21","18:00:00",""
"4038260","7.8057","0.0001","9.6433","0.0002","26.0047","0.0005","90","","91.031","0.002","90","","1957.13","0.06","100","0.11","100","0.11","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","0.5","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0491","0.0481","","","0.131","0.1313","","","","","","1.127","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038261","8.8744","0.0001","11.6564","0.0001","11.8317","0.0001","107.65","0.001","107.159","0.001","93.599","0.001","1098.7","0.02","100.01","0.12","100.01","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N3 O4 S -","- C27 H19 N3 O4 S -","- C54 H38 N6 O8 S2 -","2","1","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0465","0.0436","","","0.0942","0.0959","","","","","","1.054","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038262","14.9657","0.0002","8.176","0.0001","18.5717","0.0003","90","","106.865","0.001","90","","2174.69","0.05","170","2","170.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Wu, Xiang; Zhu, Zheng-Hao; He, Hao; Ren, Lei; Zhu, Cheng-Feng; Li, You-Gui","Construction of 1,3-Oxazolidines through a Three-Component [3+2] Cycloaddition of Tetrahydroisoquinolines, Aldehydes, and Ethyl Ketomalonate.","The Journal of organic chemistry","2020","85","9","6216","6224","10.1021/acs.joc.0c00616","","","1.34139","GaKα","","0.041","0.0369","","","0.0911","0.0948","","","","","","1.033","","","","has coordinates","251482","2020-10-21","18:00:00",""
"4038263","16.7996","0.0005","11.7198","0.0002","19.3982","0.0007","90","","122.591","0.005","90","","3217.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H33 N2 O2 P -","- C39 H33 N2 O2 P -","- C156 H132 N8 O8 P4 -","4","1","","Pattarawarapan, Mookda; Wiriya, Nittaya; Yimklan, Saranphong; Wangngae, Sirilak; Phakhodee, Wong","Zwitterionic Ring-Opened Oxyphosphonium Species from the Ph<sub>3</sub>P-I<sub>2</sub> Mediated Reactions of Benzo[<i>d</i>]oxazol-2(3<i>H</i>)-ones with Secondary Amines.","The Journal of organic chemistry","2020","85","9","6151","6158","10.1021/acs.joc.0c00211","","x-ray","0.71073","MoKα","","0.0484","0.0425","","","0.1223","0.1291","","","","","","0.961","","","","has coordinates","251483","2020-10-21","18:00:00",""
"4038266","9.5119","0.0014","12.606","0.002","13.674","0.002","74.681","0.01","75.133","0.009","80.617","0.01","1520.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","1","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.1809","0.1471","","","0.3731","0.4035","","","","","","1.516","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038267","9.325","0.0002","12.3792","0.0003","22.7224","0.0005","90","","92.177","0.001","90","","2621.09","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Cl2 N8 O5 -","- C54 H64 Cl2 N8 O5 -","- C108 H128 Cl4 N16 O10 -","2","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.0588","0.0511","","","0.131","0.1361","","","","","","1.046","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038268","9.5008","0.0003","19.9938","0.0007","10.2841","0.0004","90","","90.605","0.002","90","","1953.43","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H51 Cl3 N8 O7 -","- C33 H51 Cl3 N8 O7 -","- C66 H102 Cl6 N16 O14 -","2","1","","Imani, Zeynab; Guillot, Régis; Declerck, Valérie; Aitken, David J.","Local versus Global Control of Helical Folding in β-Peptide Segments Using Hydrazino Turns.","The Journal of organic chemistry","2020","85","9","6165","6171","10.1021/acs.joc.0c00305","","x-ray","1.54178","CuKα","","0.0453","0.0437","","","0.118","0.1195","","","","","","1.036","","","","has coordinates","251487","2020-10-21","18:00:00",""
"4038269","8.6708","0.0015","11.5329","0.0018","17.874","0.003","90","","90","","90","","1787.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3S,3aS,6R,6aR)-3-(benzyloxy)-6-hydroxyhexahydro-4H-furo[3,2-b]pyrrole-4-carboxylate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Castán, Alejandro; Badorrey, Ramón; Díez, José A; Christoffersen, Claus T.; Rasmussen, Lars K.; Kehler, Jan; Köhler, Ralf; Gálvez, José A; Díaz-de-Villegas, María D","Debenzylative Cycloetherification as a Synthetic Tool in the Diastereoselective Synthesis of 3,6-Disubstituted Hexahydro-2<i>H</i>-furo[3,2-<i>b</i>]pyrroles, PDE1 Enzyme Inhibitors with an Antiproliferative Effect on Melanoma Cells.","The Journal of organic chemistry","2020","85","9","5941","5951","10.1021/acs.joc.0c00276","","","0.71073","MoKα","","0.072","0.0508","","","0.116","0.1266","","","","","","1.152","","","","has coordinates","251476","2020-10-21","18:00:00",""
"4038277","10.8642","0.0004","18.7374","0.0009","11.2628","0.0005","90","","117.454","0.002","90","","2034.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O S2 -","- C23 H20 O S2 -","- C92 H80 O4 S8 -","4","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0876","0.0437","","","0.0914","0.1138","","","","","","1.008","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038278","8.2801","0.0003","10.9055","0.0004","11.3166","0.0003","72.0273","0.0013","79.5744","0.0013","77.9792","0.0013","943.19","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 Cl2 O S2 -","- C21 H12 Cl2 O S2 -","- C42 H24 Cl4 O2 S4 -","2","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0446","0.0369","","","0.0884","0.0952","","","","","","1.035","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038279","7.108","0.0004","10.7667","0.0006","18.9286","0.0009","90","","91.471","0.002","90","","1448.12","0.13","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AC5124","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0542","0.0395","","","0.1311","0.1503","","","","","","1.113","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038280","14.0598","0.0019","15.723","0.002","32.139","0.004","90","","91.764","0.005","90","","7101.4","1.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 Cl6 N12 O8 -","- C68 H90 Cl6 N12 O8 -","- C272 H360 Cl24 N48 O32 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0647","0.0403","","","0.0984","0.1145","","","","","","1.026","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038281","29.875","0.01","5.607","0.002","12.349","0.004","90","","101.081","0.013","90","","2030","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O3 -","- C24 H20 N4 O3 -","- C96 H80 N16 O12 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0982","0.0573","","","0.1278","0.1475","","","","","","1.038","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038282","6.0964","0.0002","10.1676","0.0003","19.2632","0.0007","90","","90","","90","","1194.04","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0448","0.0384","","","0.1016","0.1073","","","","","","0.947","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038285","15.7049","0.0005","12.0661","0.0005","7.702","0.0003","90","","94.888","0.003","90","","1454.2","0.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 B F2 I N3 O S -","- C12 H11 B F2 I N3 O S -","- C48 H44 B4 F8 I4 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0565","0.0473","","","0.1179","0.1286","","","","","","1.068","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038286","15.5882","0.0002","11.6785","0.0002","7.5331","0.0001","90","","94.724","0.001","90","","1366.72","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B F2 N3 O S -","- C13 H14 B F2 N3 O S -","- C52 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.031","0.0302","","","0.0847","0.0855","","","","","","1.063","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038287","18.8716","0.0001","12.5058","0.0001","17.1769","0.0001","90","","110.067","0.001","90","","3807.73","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N3 O3 S2 -","- C18 H16 B F2 N3 O3 S2 -","- C144 H128 B8 F16 N24 O24 S16 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0314","0.0309","","","0.0805","0.081","","","","","","1.06","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038288","12.6493","0.0002","6.2227","0.0001","19.5519","0.0003","90","","107.296","0.002","90","","1469.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F2 N3 O S -","- C14 H16 B F2 N3 O S -","- C56 H64 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0323","0.0314","","","0.0844","0.0852","","","","","","1.053","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038289","14.262","0.0005","8.0464","0.0002","14.6468","0.0005","90","","96.67","0.003","90","","1669.46","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 B F2 N3 O3 S -","- C16 H18 B F2 N3 O3 S -","- C64 H72 B4 F8 N12 O12 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0439","0.0352","","","0.0868","0.0932","","","","","","1.036","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038326","14.5879","0.0004","10.2102","0.0003","23.8219","0.0007","90","","106.882","0.002","90","","3395.25","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O7 -","- C34 H42 N4 O7 -","- C136 H168 N16 O28 -","4","2","","Nguyen, Khiem Chau; Wang, Pengzhi; Sommer, Roger D.; Lindsey, Jonathan S.","Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing <i>trans</i>-Dialkyl Substituents in Ring D.","The Journal of organic chemistry","2020","85","10","6605","6619","10.1021/acs.joc.0c00608","","","1.54178","CuKα","","0.0631","0.0483","","","0.1224","0.1326","","","","","","1.025","","","","has coordinates,has disorder","252622","2020-10-21","18:00:00",""
"4038476","16.4728","0.0004","9.39367","0.00019","22.5176","0.0005","90","","106.731","0.003","90","","3336.87","0.14","293.1","0.2","293.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O S -","- C17 H17 Cl N2 O S -","- C136 H136 Cl8 N16 O8 S8 -","8","2","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.055","0.0464","","","0.1201","0.1292","","","","","","1.035","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038477","7.56093","0.00016","10.6632","0.0002","22.1615","0.0005","90","","91.968","0.002","90","","1785.69","0.06","290.73","0.1","290.73","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","x-ray","1.54184","CuKα","","0.046","0.0401","","","0.1036","0.1095","","","","","","1.058","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038478","17.7949","0.0005","11.2697","0.0003","10.0677","0.0003","90","","104.349","0.003","90","","1956.02","0.1","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.077","0.0686","","","0.1982","0.2127","","","","","","1.063","","","","has coordinates,has disorder","253747","2020-10-21","18:00:00",""
"4038495","13.4848","0.0008","13.8175","0.0009","14.4535","0.001","74.959","0.006","88.351","0.005","65.812","0.006","2363.3","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","2","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.092","0.0595","","","0.121","0.1445","","","","","","1.065","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038496","13.7565","0.0007","10.3255","0.0006","16.8608","0.0007","90","","100.716","0.004","90","","2353.2","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","1","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.0869","0.0563","","","0.1199","0.1397","","","","","","1.04","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038498","16.5939","0.0006","13.739","0.0006","10.851","0.0004","90","","99.769","0.003","90","","2437.98","0.17","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 F6 N2 O -","- C29 H18 F6 N2 O -","- C116 H72 F24 N8 O4 -","4","1","","Zhu, Lifan; Guo, Hongyu; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Copper-Catalyzed One-Pot Synthesis of 1,3-Enynes from 2-Chloro-<i>N</i>-(quinolin-8-yl)acetamides and Terminal Alkynes.","The Journal of organic chemistry","2020","85","13","8740","8748","10.1021/acs.joc.0c01102","","","0.71073","MoKα","","0.1223","0.0667","","","0.1783","0.217","","","","","","1.059","","","","has coordinates","253738","2020-10-21","18:00:00",""
"4038499","11.0046","0.0004","11.4721","0.0004","15.6538","0.0004","90","","90","","90","","1976.23","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O4 S -","- C22 H19 Br O4 S -","- C88 H76 Br4 O16 S4 -","4","1","","Formánek, Bedřich; Tauchman, Jiří; Císařová, Ivana; Veselý, Jan","Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction.","The Journal of organic chemistry","2020","85","13","8510","8521","10.1021/acs.joc.0c00882","","","0.71073","MoKα","","0.0197","0.0182","","","0.0439","0.0445","","","","","","1.084","","","","has coordinates","253739","2020-10-21","18:00:00",""
"4038500","15.3318","0.0008","5.8627","0.0003","11.9302","0.0007","90","","104.921","0.006","90","","1036.2","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","","Tong, Zhou; Tang, Zhi; Au, Chak-Tong; Qiu, Renhua","Nickel-Catalyzed Decarbonyloxidation of 3-Aryl Benzofuran-2(<i>3H</i>)-ones to 2-Hydroxybenzophenones.","The Journal of organic chemistry","2020","85","13","8533","8543","10.1021/acs.joc.0c00858","","x-ray","0.71073","MoKα","","0.0407","0.0343","","","0.0824","0.0871","","","","","","1.067","","","","has coordinates","253737","2020-10-21","18:00:00",""
"4038504","8.2539","0.0005","9.845","0.0006","10.1665","0.0006","85.666","0.005","76.94","0.005","82.44","0.005","796.86","0.09","108.45","0.1","108.45","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C34 H36 N4 S4 -","2","1","","Qi, Peng; Sun, Fang; Chen, Ning; Du, Hongguang","Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.","The Journal of organic chemistry","2020","85","13","8588","8596","10.1021/acs.joc.0c00953","","x-ray","0.71073","MoKα","","0.0379","0.0333","","","0.0792","0.0824","","","","","","1.034","","","","has coordinates","253745","2020-10-21","18:00:00",""
"4038505","8.4889","0.0005","23.1788","0.0013","10.7372","0.0006","90","","108.396","0.007","90","","2004.7","0.2","237","190","237","190","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","x-ray","0.71073","MoKα","","0.0873","0.0534","","","0.1224","0.1419","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038506","8.8161","0.0004","9.5583","0.0005","9.7852","0.0004","70.157","0.002","73.487","0.002","68.453","0.002","709.31","0.06","298","2","298.51","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","","0.71073","MoKα","","0.0443","0.0406","","","0.111","0.114","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038507","8.6117","0.0006","13.1472","0.0007","16.255","0.0013","90","","95.684","0.007","90","","1831.3","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C72 H68 F12 N8 O20 -","4","1","","Fang, Zheng; Yin, Hongshan; Lin, Lu; Wen, Shunli; Xie, Lili; Huang, Yangjie; Weng, Zhiqiang","Collaborative Activation of Trifluoroacetyl Diazoester by a Lewis Acid and Base for the Synthesis of Polysubstituted 4-Trifluoromethylpyrazoles.","The Journal of organic chemistry","2020","85","13","8714","8722","10.1021/acs.joc.0c00737","","x-ray","1.54184","CuKα","","0.0761","0.0509","","","0.1277","0.1461","","","","","","1.078","","","","has coordinates,has disorder","253734","2020-10-21","18:00:00",""
"4038508","7.2414","0.0008","8.1329","0.0008","18.752","0.003","90","","90","","90","","1104.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0306","0.0279","","","0.0673","0.0692","","","","","","1.047","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038509","8.5612","0.0003","7.1443","0.0002","11.337","0.0003","90","","101.245","0.001","90","","680.1","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Cl2 N O -","- C13 H17 Cl2 N O -","- C26 H34 Cl4 N2 O2 -","2","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0285","0.0279","","","0.0709","0.0714","","","","","","1.049","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038510","18.1713","0.0007","13.699","0.0005","8.3562","0.0003","90","","97.785","0.002","90","","2060.93","0.13","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 B F7 N3 -","- C21 H17 B F7 N3 -","- C84 H68 B4 F28 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0936","0.0652","","","0.1718","0.2038","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038511","9.656","0.002","14.574","0.004","17.635","0.004","90","","90","","90","","2481.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 B Br2 F2 N3 -","- C24 H26 B Br2 F2 N3 -","- C96 H104 B4 Br8 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0805","0.0458","","","0.1017","0.1172","","","","","","1.027","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038512","12.489","0.003","11.29","0.002","18.975","0.004","90","","104.119","0.003","90","","2594.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B Br3 F2 N3 -","- C24 H25 B Br3 F2 N3 -","- C96 H100 B4 Br12 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.1231","0.0703","","","0.1628","0.1877","","","","","","1.039","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038513","10.9684","0.0018","17.472","0.003","18.559","0.003","114.162","0.002","102.168","0.002","93.667","0.002","3126.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H68 B3 F6 N9 -","- C66 H68 B3 F6 N9 -","- C132 H136 B6 F12 N18 -","2","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.2102","0.0795","","","0.2757","0.3127","","","","","","1.298","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038514","8.7637","0.0003","17.0551","0.0007","20.6021","0.0009","90","","90","","90","","3079.3","0.2","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 B Br2 Cl F2 N3 -","- C30 H29 B Br2 Cl F2 N3 -","- C120 H116 B4 Br8 Cl4 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0815","0.0574","","","0.1435","0.1622","","","","","","1.051","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038515","16.8071","0.0011","19.0449","0.0014","16.4613","0.0011","90","","98.752","0.002","90","","5207.7","0.6","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B F2 N3 -","- C30 H30 B F2 N3 -","- C240 H240 B8 F16 N24 -","8","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0886","0.0735","","","0.18","0.2009","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038516","9.7883","0.0009","26.2735","0.0014","10.597","0.0008","90","","112.636","0.009","90","","2515.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl N O4 -","- C31 H24 Cl N O4 -","- C124 H96 Cl4 N4 O16 -","4","1","","Zimnitskiy, Nikolay S.; Denikaev, Andrey D.; Barkov, Alexey Y.; Kutyashev, Igor B.; Korotaev, Vladislav Y.; Sosnovskikh, Vyacheslav Y.","Catalyst-free Tandem 1,3-Dipolar Cycloaddition/Aldol Condensation: Diastereoselective Construction of the Azatetraquinane Skeleton.","The Journal of organic chemistry","2020","85","13","8683","8694","10.1021/acs.joc.0c01127","","","0.71073","MoKα","","0.1451","0.0797","","","0.2158","0.2839","","","","","","1.044","","","","has coordinates,has disorder","253742","2020-10-21","18:00:00",""
"4038517","8.8912","0.0005","11.9339","0.0006","12.6741","0.0007","85.22","0.002","74.19","0.002","80.966","0.002","1276.72","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N2 O2 Si -","- C27 H38 N2 O2 Si -","- C54 H76 N4 O4 Si2 -","2","1","","Pati, Tanmay K.; Ajarul, Sk; Kundu, Mrinalkanti; Tayde, Deepak; Khamrai, Uttam; Maiti, Dilip K.","Synthesis of Functionalized Arylacetamido-2-pyridones through <i>ortho</i>-C(sp<sup>2</sup>)-H-Activated Installation of Olefins and Alkynes.","The Journal of organic chemistry","2020","85","13","8563","8579","10.1021/acs.joc.0c00941","","","1.54178","CuKα","","0.0511","0.0489","","","0.1231","0.1249","","","","","","1.054","","","","has coordinates","253740","2020-10-21","18:00:00",""
"4038518","8.2882","0.0013","11.6286","0.0017","19.897","0.003","90","","100.909","0.004","90","","1883","0.5","113","2","113","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Nishida, Masaki; Lee, Donghyeon; Shintani, Ryo","Intermolecular Three-Component Synthesis of Fluorene Derivatives by a Rhodium-Catalyzed Stitching Reaction/Remote Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2020","85","13","8489","8500","10.1021/acs.joc.0c00790","","","0.71075","MoKα","","0.076","0.0471","","","0.1228","0.1487","","","","","","0.851","","","","has coordinates","253741","2020-10-21","18:00:00",""
"4038519","21.532","0.002","8.0393","0.0007","29.212","0.003","90","","99.5823","0.0015","90","","4986.1","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Cl N2 O2 -","- C31 H27 Cl N2 O2 -","- C248 H216 Cl8 N16 O16 -","8","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","0.71073","MoKα","","0.0965","0.0524","","","0.1013","0.1185","","","","","","1.014","","","","has coordinates","253743","2020-10-21","18:00:00",""
"4038520","15.5188","0.001","21.4989","0.0013","7.5658","0.0005","90","","90","","90","","2524.2","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","1.54178","CuKα","","0.1195","0.0583","","","0.1227","0.1477","","","","","","0.991","","","","has coordinates,has disorder","253743","2020-10-21","18:00:00",""
"4038544","21.9715","0.0015","6.3739","0.0004","12.0779","0.0007","90","","92.562","0.006","90","","1689.75","0.18","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 I O3 Si -","- C14 H23 I O3 Si -","- C56 H92 I4 O12 Si4 -","4","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","0.71073","MoKα","","0.0402","0.0356","","","0.0865","0.0883","","","","","","1.077","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038545","11.2611","0.0006","6.3708","0.0002","12.0672","0.0004","90","","105.942","0.005","90","","832.43","0.06","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0824","0.0575","","","0.126","0.1414","","","","","","1.03","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038546","19.7853","0.0003","22.1644","0.0004","10.4","0.0002","90","","90","","90","","4560.7","0.14","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H35 O5 -","- C23 H35 O5 -","- C184 H280 O40 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0414","0.0365","","","0.0935","0.0966","","","","","","1.032","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038547","17.2644","0.0004","11.1326","0.0003","23.6238","0.0005","90","","110.142","0.002","90","","4262.76","0.18","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 I O4 -","- C21 H31 I O4 -","- C168 H248 I8 O32 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0514","0.0381","","","0.0832","0.0892","","","","","","1.057","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038548","64.915","0.003","22.4355","0.0012","16.2049","0.0008","90","","90","","90","","23601","2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C21 H27 Cl O4 -","- C21 H27 Cl O4 -","- C1008 H1296 Cl48 O192 -","48","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0952","0.0641","","","0.1602","0.1814","","","","","","1.041","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038549","24.9006","0.0017","6.3095","0.0004","28.91","0.002","90","","110.855","0.002","90","","4244.5","0.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C156 H228 I12 O36 -","12","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54178","CuKα","","0.0519","0.0474","","","0.122","0.1262","","","","","","1.019","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038564","14.6337","0.001","8.212","0.0006","19.9944","0.0014","90","","95.296","0.001","90","","2392.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 S2 -","- C25 H23 N3 O5 S2 -","- C100 H92 N12 O20 S8 -","4","1","","Kumar, Chepuri V Suneel; Holyoke, Jr, Caleb W; Keller, Taylor M.; Fleming, Fraser F.","Asmic Isocyanide [3 + 2] Cascade to Dihydrooxazoles and Dihydroimidazoles.","The Journal of organic chemistry","2020","85","14","9153","9160","10.1021/acs.joc.0c01119","","","0.71073","MoKα","","0.0315","0.0289","","","0.0728","0.0742","","","","","","1.067","","","","has coordinates","254779","2020-10-21","18:00:00",""
"4038639","8.2499","0.0004","16.3857","0.0008","23.2184","0.0009","90","","91.583","0.002","90","","3137.5","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N O2 S -","- C43 H29 N O2 S -","- C172 H116 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.09","0.0514","","","0.1028","0.1225","","","","","","1.039","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038640","19.4003","0.0009","8.8494","0.0004","21.4549","0.001","90","","110.588","0.001","90","","3448.2","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Cl3 N O2 S -","- C44 H28 Cl3 N O2 S -","- C176 H112 Cl12 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.0931","0.0757","","","0.1898","0.2024","","","","","","1.06","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038690","18.769","0.003","5.6852","0.0009","29.015","0.004","90","","90","","90","","3096.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H15 N O2 Se -","- C17 H15 N O2 Se -","- C136 H120 N8 O16 Se8 -","8","2","","Chen, Jia-Min; Qi, Lin; Zhang, Linlin; Li, Li-Jun; Hou, Cong-Ying; Li, Wei; Wang, Li-Jing","Copper/DTBP-Promoted Oxyselenation of Propargylic Amines with Diselenides and CO<sub>2</sub>: Synthesis of Selenyl 2-Oxazolidinones.","The Journal of organic chemistry","2020","85","16","10924","10933","10.1021/acs.joc.0c01519","","","0.71073","MoKα","","0.142","0.0428","","","0.0447","0.0565","","","","","","0.867","","","","has coordinates","255876","2020-10-21","18:00:00",""
"4038740","8.406","0.0005","8.466","0.0007","14.6974","0.001","89.549","0.006","77.343","0.005","66.477","0.007","932.01","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 B Br F4 O2 -","- C23 H12 B Br F4 O2 -","- C46 H24 B2 Br2 F8 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","","1.54184","CuKα","","0.0527","0.048","","","0.1347","0.1402","","","","","","1.057","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038741","8.8561","0.0005","9.3777","0.0005","14.1453","0.0005","91.724","0.004","98.862","0.004","116.907","0.006","1028.42","0.11","290.56","0.1","290.56","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 B Br F4 O3 -","- C24 H14 B Br F3.9996 O3 -","- C48 H28 B2 Br2 F7.9992 O6 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0397","0.0347","","","0.0917","0.0959","","","","","","1.034","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038742","12.7765","0.0003","16.0668","0.0006","17.3836","0.0007","77.279","0.004","80.071","0.003","80.432","0.003","3398.1","0.2","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 B Br F4 N2 -","- C29 H26 B Br F4 N2 -","- C116 H104 B4 Br4 F16 N8 -","4","2","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.072","0.0619","","","0.1771","0.1909","","","","","","1.03","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038743","7.7507","0.0004","12.3048","0.0005","13.5177","0.0008","104.972","0.005","95.439","0.004","94.459","0.004","1232.8","0.11","179.95","0.1","179.95","0.1","","","","","","","","8","P 1","P 1","1","","","","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","1","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.5418","CuKα","","0.0694","0.0651","","","0.1789","0.1829","","","","","","1.053","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038744","20.2508","0.0003","4.24318","0.00007","19.0965","0.0003","90","","106.186","0.0017","90","","1575.88","0.04","180.15","","180.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Br O3 -","- C23 H11 Br O3 -","- C92 H44 Br4 O12 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0337","0.03","","","0.0782","0.0817","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038745","8.9485","0.0003","21.3763","0.0005","13.2147","0.0003","90","","99.059","0.003","90","","2496.25","0.12","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Br N O4 -","- C29 H28 Br N O4 -","- C116 H112 Br4 N4 O16 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","0.71073","MoKα","","0.0845","0.048","","","0.1038","0.1185","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038746","9.9075","0.0007","11.5025","0.0007","12.5629","0.0008","110.42","0.006","95.401","0.005","112.56","0.006","1195.28","0.17","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br Cl2 N O2 -","- C28 H24 Br Cl2 N O2 -","- C56 H48 Br2 Cl4 N2 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0509","0.0496","","","0.1321","0.1338","","","","","","1.056","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038748","5.422","0.0003","8.6988","0.0005","12.1636","0.0007","90","","94.341","0.004","90","","572.05","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 F2 O2 -","- C5 H6 F2 O2 -","- C20 H24 F8 O8 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0757","0.0468","","","0.0907","0.0994","","","","","","1.194","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038749","5.1598","0.0009","11.2723","0.0017","17.688","0.003","90","","93.058","0.007","90","","1027.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C44 H40 F12 N4 O4 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0935","0.0516","","","0.114","0.1321","","","","","","1.017","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038750","6.0157","0.0004","7.4732","0.0004","7.6279","0.0004","106.605","0.004","105.053","0.004","91.961","0.004","315.16","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C8 H16 Cl2 F4 N2 -","2","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0472","0.0401","","","0.1391","0.1447","","","","","","1.012","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038751","8.6036","0.0013","11.7912","0.0019","21.27","0.003","90","","90","","90","","2157.8","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.1215","0.0633","","","0.1364","0.164","","","","","","1.01","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038753","7.3094","0.0003","11.286","0.0005","18.0876","0.0008","90","","90","","90","","1492.12","0.11","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C52 H36 F4 N8 O8 S4 -","4","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.1037","0.0599","","","0.1873","0.229","","","","","","0.853","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038754","19.2656","0.0016","33.47","0.003","7.2379","0.0006","90","","90","","90","","4667.1","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C208 H144 F16 N32 O32 S16 -","16","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.0455","0.0363","","","0.0835","0.0876","","","","","","1.06","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038755","13.453","0.003","4.8445","0.0013","19.075","0.005","90","","99.076","0.005","90","","1227.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 Br N2 S -","- C14 H7 Br N2 S -","- C56 H28 Br4 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0763","0.0361","","","0.0783","0.0943","","","","","","1.052","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038756","12.0548","0.0017","10.6734","0.0015","13.4266","0.0019","90","","97.826","0.003","90","","1711.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 S -","- C22 H12 N2 S -","- C88 H48 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0794","0.0448","","","0.1027","0.1235","","","","","","1.022","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038757","6.8494","0.0004","10.5416","0.0007","11.8942","0.0008","78.408","0.002","89.07","0.002","86.152","0.002","839.39","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Br F N O2 -","- C18 H17 Br F N O2 -","- C36 H34 Br2 F2 N2 O4 -","2","1","","Zhang, Lili; Deng, Kezuan; Wu, Gaorong; Yang, Jinyue; Tang, Shibiao; Fu, Xiaopan; Xia, Chengcai; Ji, Yafei","Ruthenium(II)-Catalyzed α-Fluoroalkenylation of Oxime Ethers with <i>gem</i>-Difluorostyrenes <i>via</i> C-H Activation and C-F Cleavage.","The Journal of organic chemistry","2020","85","19","12670","12681","10.1021/acs.joc.0c01842","","","0.71073","MoKα","","0.0396","0.0317","","","0.0855","0.0905","","","","","","1.039","","","","has coordinates","257139","2020-10-21","18:00:00",""
"4038762","13.7554","0.0019","7.8485","0.0007","18.5","0.003","90","","110.617","0.017","90","","1869.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O2 S2 -","- C23 H15 N O2 S2 -","- C92 H60 N4 O8 S8 -","4","1","","Chen, Xia; Zhang, Lianpeng; Wang, Yuzhe; Qiu, Guanyinsheng; Liang, Qinghui; Zhou, Hongwei","Copper-Catalyzed Tandem Radical Cyclization of 8-Ethynyl-1-naphthyl-amines for the Synthesis of 2<i>H</i>-Benzo[<i>e</i>][1,2]thiazine 1,1-Dioxides and its Fluorescence Properties.","The Journal of organic chemistry","2020","85","19","12526","12534","10.1021/acs.joc.0c01725","","x-ray","0.71073","MoKα","","0.1082","0.0772","","","0.2327","0.2639","","","","","","1.041","","","","has coordinates","257140","2020-10-21","18:00:00",""
"4038763","20.058","0.004","14.261","0.003","6.1046","0.001","90","","91.741","0.012","90","","1745.4","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F O3 -","- C20 H21 F O3 -","- C80 H84 F4 O12 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","x-ray","1.54178","CuKα","","0.1192","0.0618","","","0.1216","0.1416","","","","","","1.033","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038764","5.942","0.0006","26.684","0.003","9.9612","0.0011","90","","104.342","0.011","90","","1530.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","","0.71073","MoKα","","0.0951","0.0555","","","0.1125","0.1343","","","","","","1.053","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038765","10.906","0.0006","13.6614","0.0007","16.6806","0.0009","90","","90","","90","","2485.3","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","O-4-Chloro-2-(((4-methylphenyl)sulfonamido)(phenyl)methyl)phenyl N,N-diethylcarbamate","","- C25 H27 Cl N2 O4 S -","- C25 H27 Cl N2 O4 S -","- C100 H108 Cl4 N8 O16 S4 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0496","0.0392","","","0.0807","0.0864","","","","","","1.098","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038766","8.596","0.003","10.656","0.004","11.508","0.004","107.17","0.004","97.829","0.004","103.488","0.004","955.2","0.6","298","2","298","","","","","","","","","5","P -1","-P 1","2","","O-4-Methoxy-2-(phenylcarbamothioyl)phenyl N,N-diethylcarbamate","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C38 H44 N4 O6 S2 -","2","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0534","0.0453","","","0.127","0.1336","","","","","","1.054","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038767","13.8795","0.0016","11.3828","0.0013","23.518","0.003","90","","90","","90","","3715.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","O-4-Chloro-2-((3-chlorophenyl)carbamoyl)phenyl N,N-diethylcarbamate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C144 H144 Cl16 N16 O24 -","8","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0627","0.0416","","","0.1067","0.1207","","","","","","1.022","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038768","9.495","0.007","15.333","0.011","14.547","0.01","90","","100.886","0.012","90","","2080","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-((2-hydroxyphenyl)(phenyl)methyl)-3-phenylurea","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0869","0.0499","","","0.101","0.1104","","","","","","0.955","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038769","12.1225","0.0006","12.8572","0.0006","15.2915","0.0008","90","","92.451","0.002","90","","2381.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","o-(E)-4-Chloro-2-(N,N'-di-p-tolylcarbamimidoyl)phenyl N,N-diethylcarbamate (","","- C26 H28 Cl N3 O2 -","- C26 H28 Cl N3 O2 -","- C104 H112 Cl4 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0448","0.0383","","","0.0829","0.0875","","","","","","1.084","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038770","10.4657","0.0018","15.208","0.003","19.367","0.004","90","","100.511","0.009","90","","3030.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-(1-(2-hydroxyphenyl)-2-methylprop-1-en-1-yl)urea","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C120 H176 N16 O16 -","8","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0509","0.0435","","","0.0995","0.1044","","","","","","1.093","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038771","8.066","0.002","15.096","0.004","14.762","0.003","90","","104.125","0.016","90","","1743.1","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","O-(E)-N-(Diethylcarbamoyl)-2-hydroxy-N,N'-diisopropylbenzimidamide","","- C18 H29 N3 O2 -","- C18 H29 N3 O2 -","- C72 H116 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0706","0.0532","","","0.122","0.1364","","","","","","1.069","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038772","9.244","0.0006","12.1783","0.0008","16.9973","0.0011","88.74","0.004","82.005","0.004","79.455","0.004","1862.9","0.2","283","2","283","2","","","","","","","","7","P -1","-P 1","2","","O-4-Chloro-2-((2-fluorophenyl)carbamothioyl)phenyl N,N-diethylcarbamate","","- C18 H17 Cl F N2 O2 S -","- C18 H17.3415 Cl F0.9885 N2 O2 S -","- C72 H69.366 Cl4 F3.954 N8 O8 S4 -","4","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.1003","0.0599","","","0.1043","0.1202","","","","","","1.08","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038773","9.5051","0.0018","8.8409","0.0018","20.79","0.004","90","","90.242","0.003","90","","1747","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N3 O7 -","- C14 H25 N3 O7 -","- C56 H100 N12 O28 -","4","2","","Richaud, Alexis D.; Roche, Stéphane P","Structure-Property Relationship Study of <i>N</i>-(Hydroxy)Peptides for the Design of Self-Assembled Parallel β-Sheets.","The Journal of organic chemistry","2020","85","19","12329","12342","10.1021/acs.joc.0c01441","","x-ray","0.41328","synchrotron","","0.1055","0.0689","","","0.1604","0.1873","","","","","","1.009","","","","has coordinates","257134","2020-10-21","18:00:00",""
"4038774","6.5847","0.0007","8.4285","0.0009","9.4274","0.0011","89.0396","0.0017","72.6274","0.0016","80.7426","0.0017","492.57","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C22 H24 N4 S2 -","2","1","","Geng, Xinyu; Liu, Siyuan; Wang, Wenyao; Qu, Jingping; Wang, Baomin","<i>tert</i>-Amino Effect-Promoted Rearrangement of Aryl Isothiocyanate: A Versatile Approach to Benzimidazothiazepines and Benzimidazothioethers.","The Journal of organic chemistry","2020","85","19","12635","12643","10.1021/acs.joc.0c01806","","","0.71073","MoKα","","0.0342","0.0303","","","0.0791","0.0815","","","","","","1.002","","","","has coordinates","257136","2020-10-21","18:00:00",""
"4038775","8.1574","0.0004","13.7272","0.0006","20.3329","0.0011","90","","90","","90","","2276.84","0.19","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Chen, Shu-Rong; Wang, Shih-Wei; Sheu, Jyh-Horng; Chang, Ting-Hsuan; Cheng, Yuan-Bin","Zoanthamine Alkaloid Derivatives from the Zoantharian <i>Zoanthus vietnamensis</i> with Antimetastatic Activity.","The Journal of organic chemistry","2020","85","19","12553","12560","10.1021/acs.joc.0c01731","","","1.54178","CuKα","","0.1192","0.0714","","","0.1704","0.221","","","","","","0.917","","","","has coordinates","257141","2020-10-21","18:00:00",""
"4038776","8.9799","0.0006","10.3963","0.0007","15.1711","0.001","96.679","0.002","97.41","0.002","106.252","0.002","1331","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0695","0.0555","","","0.1523","0.1631","","","","","","1.028","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038777","14.3741","0.0017","11.5458","0.001","17.6215","0.0017","90","","97.324","0.004","90","","2900.6","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O5 S -","- C36 H28 N2 O5 S -","- C144 H112 N8 O20 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1292","0.1042","","","0.2682","0.2864","","","","","","1.097","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038778","8.9949","0.0007","12.2989","0.001","12.9055","0.0011","63.957","0.003","71.155","0.003","75.637","0.003","1204.46","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O4 S -","- C24 H18 N2 O4 S -","- C48 H36 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0824","0.0487","","","0.1143","0.1264","","","","","","1.044","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038779","14.2296","0.0008","8.9965","0.0005","20.0891","0.0012","90","","96.003","0.002","90","","2557.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O4 S -","- C25 H20 N2 O4 S -","- C100 H80 N8 O16 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1125","0.0565","","","0.1239","0.1448","","","","","","1.031","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038780","10.1008","0.0016","11.3688","0.0018","11.6597","0.0019","82.638","0.005","64.947","0.004","81.864","0.005","1197.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C56 H40 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0765","0.0645","","","0.1754","0.1802","","","","","","1.049","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038781","10.2791","0.0013","11.3288","0.0014","11.7187","0.0015","90.027","0.004","114.297","0.004","94.437","0.004","1239.3","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl N2 O6 S -","- C28 H19 Cl N2 O6 S -","- C56 H38 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0596","0.0457","","","0.1138","0.1218","","","","","","1.024","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038782","11.444","0.0019","11.462","0.002","12.299","0.002","88.192","0.005","63.357","0.005","73.396","0.005","1373","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O6 S -","- C32 H28 N2 O6 S -","- C64 H56 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1141","0.0652","","","0.1495","0.1733","","","","","","1.021","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038783","8.426","0.0007","11.0834","0.0009","15.3702","0.0012","91.376","0.003","96.474","0.003","102.111","0.003","1392.8","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Cl N2 O6 S -","- C32 H27 Cl N2 O6 S -","- C64 H54 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1209","0.0563","","","0.105","0.1261","","","","","","1.022","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038784","8.3862","0.0003","11.0478","0.0004","15.4388","0.0006","91.9752","0.0011","96.6881","0.0012","102.411","0.0012","1384.85","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 F N2 O6 S -","- C32 H27 F N2 O6 S -","- C64 H54 F2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0593","0.0468","","","0.12","0.128","","","","","","1.032","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038785","8.3197","0.0003","18.7648","0.0008","19.0758","0.001","90","","95.6621","0.0016","90","","2963.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O6 S -","- C36 H28 N2 O6 S -","- C144 H112 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1295","0.071","","","0.1268","0.1615","","","","","","1.009","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038786","15.1594","0.0009","13.7549","0.0008","14.4974","0.0008","90","","90","","90","","3022.9","0.3","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H25 F N2 O6 S -","- C35 H25 F N2 O6 S -","- C140 H100 F4 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.09","0.045","","","0.0772","0.0882","","","","","","1.034","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038787","11.62377","0.00013","11.62379","0.00012","19.3359","0.0002","90","","90","","90","","2612.52","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1H-indol-2-yl)-2-phenylethan-1-amine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Aksenov, Alexander V.; Griaznov, Georgii D.; Rubin, Michael","Synthesis of 2-(1<i>H</i>-Indol-2-yl)acetamides via Brønsted Acid-Assisted Cyclization Cascade.","The Journal of organic chemistry","2020","85","19","12128","12146","10.1021/acs.joc.0c01344","","x-ray","1.54184","CuKα","","0.0466","0.043","","","0.1306","0.1349","","","","","","1.046","","","","has coordinates,has disorder","257147","2020-10-21","18:00:00",""
"4038788","10.246","0.003","21.331","0.005","12.725","0.002","90","","113.59","0.008","90","","2548.7","1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O9 P2 -","- C22 H32 N2 O9 P2 -","- C88 H128 N8 O36 P8 -","4","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.1398","0.064","","","0.1225","0.155","","","","","","1.028","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038789","22.428","0.005","8.079","0.002","10.933","0.003","90","","101.949","0.008","90","","1938.1","0.8","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 O8 P2 -","- C17 H22 O8 P2 -","- C68 H88 O32 P8 -","4","0.5","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0845","0.0486","","","0.1067","0.1253","","","","","","1.034","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038790","13.6","0.0004","7.1637","0.0002","29.5605","0.001","90","","90","","90","","2879.97","0.15","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 O4 P -","- C16 H15 O4 P -","- C128 H120 O32 P8 -","8","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0606","0.0396","","","0.0876","0.0997","","","","","","1.061","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038791","23.9795","0.0003","23.9795","0.0003","13.6928","0.0002","90","","90","","90","","7873.58","0.18","99.98","0.1","99.98","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H28 Br N O6 S -","- C39 H28 Br N O6 S -","- C312 H224 Br8 N8 O48 S8 -","8","1","","Yan, Juzhang; Li, Xiaoping; Chen, Yuzhen; Li, Ying; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Organocatalytic 1,4-Addition of Azadienes with 3-Homoacyl Coumarins toward Highly Enantioenriched Benzofuran Coumarin Skeletons.","The Journal of organic chemistry","2020","85","19","12175","12186","10.1021/acs.joc.0c01379","","x-ray","1.54184","CuKα","","0.1017","0.0884","","","0.2383","0.2515","","","","","","1.051","","","","has coordinates","257142","2020-10-21","18:00:00",""
"4038792","7.073","0.0007","8.1167","0.0007","8.7016","0.0009","86.895","0.007","81.037","0.008","71.308","0.008","467.42","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Wang, Jian; Li, Jiang-Hua; Guo, Yidong; Dong, Hongbo; Liu, Qiang; Yu, Xiao-Qi","TEMPO-Mediated C-H Amination of Benzoxazoles with N-Heterocycles.","The Journal of organic chemistry","2020","85","19","12797","12803","10.1021/acs.joc.0c01921","","x-ray","1.54184","CuKα","","0.0607","0.0594","","","0.1536","0.1553","","","","","","1.082","","","","has coordinates","257149","2020-10-21","18:00:00",""
"4038793","9.5514","0.0013","10.8418","0.0015","18.966","0.003","90","","102.372","0.005","90","","1918.4","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H44 N4 O -","- C47 H44 N4 O -","- C94 H88 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0377","0.0368","","","0.1009","0.1019","","","","","","1.042","","","","has coordinates,has disorder","257150","2020-10-21","18:00:00",""
"4038794","12.5152","0.0011","8.1909","0.0007","18.3478","0.0016","90","","109.467","0.002","90","","1773.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H48 N4 O -","- C41 H48 N4 O -","- C82 H96 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0397","0.0392","","","0.1034","0.1041","","","","","","1.03","","","","has coordinates","257150","2020-10-21","18:00:00",""
"4038795","7.13243","0.00007","12.32391","0.00016","29.4905","0.0003","90","","90","","90","","2592.2","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F3 N2 O7 -","- C20 H21 F3 N2 O7 -","- C80 H84 F12 N8 O28 -","4","1","","Li, Luyao; Yang, Tianxiao; Zhang, Tao; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Tandem Cyclization/Michael Addition via Oxazol-5(2<i>H</i>)-One Formation: Access to Perfluoroalkyl-Containing <i>N</i>,<i>O</i>-Acetal Derivatives.","The Journal of organic chemistry","2020","85","19","12294","12303","10.1021/acs.joc.0c01545","","x-ray","1.54184","CuKα","","0.0444","0.0428","","","0.1187","0.1207","","","","","","1.035","","","","has coordinates,has disorder","257125","2020-10-21","18:00:00",""
"4038796","8.4921","0.0011","11.0952","0.0014","8.7511","0.0011","90","","118.324","0.002","90","","725.83","0.16","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O S2 -","- C15 H18 O S2 -","- C30 H36 O2 S4 -","2","1","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.0284","0.0277","","","0.0714","0.0721","","","","","","1.067","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038797","11.774","0.003","6.7993","0.0016","13.767","0.003","90","","101.189","0.004","90","","1081.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(but-3-en-2-yl)-1,3-dithiane-2-carboxylic acid","","- C9 H14 O2 S2 -","- C9 H14 O2 S2 -","- C36 H56 O8 S8 -","4","2","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.055","0.053","","","0.1531","0.1561","","","","","","1.001","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038798","12.959","0.004","15.165","0.003","29.378","0.007","75.8","0.03","86.69","0.02","86.896","0.01","5583","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128.25 H170.25 Cl6.75 O6 -","- C128.25 H170.25 Cl6.75 O6 -","- C256.5 H340.5 Cl13.5 O12 -","2","1","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.1598","0.1007","","","0.2737","0.3254","","","","","","1.042","","","","has coordinates,has disorder","257138","2020-10-21","18:00:00",""
"4038799","12.338","0.002","15.813","0.003","15.886","0.0006","62.331","0.011","80.881","0.01","68.02","0.03","2545","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","1","0.5","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.0436","0.042","","","0.1192","0.1208","","","","","","1.038","","","","has coordinates","257138","2020-10-21","18:00:00",""
"4038800","12.124","0.0011","21.984","0.002","16.7347","0.0015","90","","96.781","0.01","90","","4429.2","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N4 -","- C56 H48 N4 -","- C224 H192 N16 -","4","1","","Rakshit, Amitava; Kumar, Prashant; Alam, Tipu; Dhara, Hirendranath; Patel, Bhisma K.","Visible-Light-Accelerated Pd-Catalyzed Cascade Addition/Cyclization of Arylboronic Acids to γ- and β-Ketodinitriles for the Construction of 3-Cyanopyridines and 3-Cyanopyrrole Analogues.","The Journal of organic chemistry","2020","85","19","12482","12504","10.1021/acs.joc.0c01703","","","0.71073","MoKα","","0.2487","0.0772","","","0.1521","0.2415","","","","","","0.941","","","","has coordinates","257143","2020-10-21","18:00:00",""
"4038801","13.6616","0.0002","9.18547","0.00012","17.0339","0.0003","90","","112.93","0.002","90","","1968.65","0.06","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O2 S -","- C21 H20 Br N O2 S -","- C84 H80 Br4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0469","0.0444","","","0.1521","0.1567","","","","","","1.265","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038802","17.59534","0.00017","10.30762","0.00009","22.2729","0.0002","90","","106.229","0.001","90","","3878.58","0.06","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","11111","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C184 H152 N8 O24 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0385","0.0372","","","0.0986","0.0998","","","","","","1.047","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038803","21.6005","0.0007","9.3977","0.0003","18.9366","0.0007","90","","90","","90","","3844","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H40 N2 O4 S2 -","- C42 H42 N2 O4 S2 -","- C168 H168 N8 O16 S8 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","","1.54178","CuKα","","0.1025","0.0898","","","0.2087","0.2227","","","","","","1.457","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038804","9.6034","0.0002","10.0317","0.0002","12.4075","0.0002","99.201","0.002","111.404","0.002","102.937","0.002","1045.48","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C48 H34 N2 O6 S2 -","2","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0497","0.0439","","","0.1114","0.1219","","","","","","1.084","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038805","15.6423","0.0011","16.3109","0.0011","8.6514","0.0005","90","","101.62","0.007","90","","2162.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1011","0.0654","","","0.1735","0.237","","","","","","1.455","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038806","13.6766","0.0014","12.8566","0.0013","11.474","0.0011","90","","90","","90","","2017.5","0.3","293","2","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H18 F N O2 S -","- C25 H18 F N O2 S -","- C100 H72 F4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.0883","0.0552","","","0.1235","0.1549","","","","","","1.083","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038807","27.805","0.004","10.095","0.002","15.272","0.003","90","","96.621","0.017","90","","4258.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22 Cl N O2 S -","- C22.5 H22 Cl N O2 S -","- C180 H176 Cl8 N8 O16 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1701","0.0735","","","0.1772","0.2584","","","","","","1.031","","","","has coordinates,has disorder","257144","2020-10-21","18:00:00",""
"4038815","15.456","0.002","7.0443","0.0011","16.266","0.003","90","","91.746","0.004","90","","1770.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B F4 N O -","- C19 H20 B F4 N O -","- C76 H80 B4 F16 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.089","0.0514","","","0.1117","0.1321","","","","","","1.025","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038816","9.2376","0.0007","16.4663","0.0013","23.0599","0.0018","101.102","0.002","91.828","0.002","103.786","0.002","3331.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N O -","- C18 H18 B F4 N O -","- C144 H144 B8 F32 N8 O8 -","8","4","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1314","0.0578","","","0.1348","0.1662","","","","","","0.957","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038817","12.0267","0.0004","8.0762","0.0003","19.1306","0.0005","90","","96.044","0.003","90","","1847.83","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 B F4 N -","- C22 H20 B F4 N -","- C88 H80 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","1.54184","CuKα","","0.0891","0.0821","","","0.2002","0.205","","","","","","1.074","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038818","12.1916","0.0006","9.9536","0.0005","14.3268","0.0007","90","","100.697","0.001","90","","1708.35","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F4 N2 -","- C18 H21 B F4 N2 -","- C72 H84 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0611","0.0386","","","0.0896","0.1026","","","","","","1.028","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038819","8.3874","0.0006","12.2927","0.0009","15.2185","0.0011","90","","99.854","0.002","90","","1545.94","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F4 N -","- C19 H14 B F4 N -","- C76 H56 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0528","0.043","","","0.112","0.1193","","","","","","1.075","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038820","6.165","0.003","17.073","0.009","12.098","0.007","90","","90","","90","","1273.4","1.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1217","0.0607","","","0.1154","0.1414","","","","","","1.011","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038821","9.4054","0.0014","14.334","0.002","9.7907","0.0015","90","","91.688","0.004","90","","1319.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0876","0.0449","","","0.0892","0.1046","","","","","","1.01","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038822","14.3987","0.0004","13.0464","0.0004","12.6405","0.0004","90","","99.152","0.003","90","","2344.3","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 B2 F8 N2 O -","- C26 H20 B2 F8 N2 O -","- C104 H80 B8 F32 N8 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","x-ray","1.54184","CuKα","","0.0734","0.0598","","","0.1696","0.1797","","","","","","1.081","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038823","8.0529","0.0004","8.1749","0.0005","22.1907","0.0012","90","","90","","90","","1460.85","0.14","149.97","0.1","149.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0423","0.0364","","","0.0811","0.0841","","","","","","1.061","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038824","13.0463","0.001","12.6415","0.0009","22.773","0.002","90","","105.273","0.009","90","","3623.2","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","2","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0693","0.0485","","","0.1043","0.1165","","","","","","1.046","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038827","22.445","0.003","10.5768","0.0013","8.1673","0.001","90","","92.685","0.005","90","","1936.8","0.4","200","2","199.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N3 -","- C22 H27 N3 -","- C88 H108 N12 -","4","0.5","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.0911","0.0588","","","0.158","0.1778","","","","","","1.031","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038828","8.9279","0.001","12.3384","0.0013","13.3669","0.0014","66.588","0.003","81.982","0.003","72.54","0.003","1288.6","0.2","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H39 N3 -","- C28 H39 N3 -","- C56 H78 N6 -","2","1","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.1121","0.0666","","","0.1538","0.1768","","","","","","1.026","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038833","9.638","0.0009","16.4283","0.0014","12.1516","0.0013","90","","105.707","0.01","90","","1852.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 B F3 N2 O -","- C23 H16 B F3 N2 O -","- C92 H64 B4 F12 N8 O4 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","0.71073","MoKα","","0.0812","0.0656","","","0.1639","0.1791","","","","","","1.049","","","","has coordinates","257133","2020-10-21","18:00:00",""
"4038834","17.3714","0.0003","14.8912","0.0002","9.2154","0.0001","90","","104.076","0.001","90","","2312.27","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 B Br F3 N2 O4 -","- C25 H17 B Br F3 N2 O4 -","- C100 H68 B4 Br4 F12 N8 O16 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","1.54184","CuKα","","0.0372","0.0356","","","0.0942","0.0957","","","","","","1.05","","","","has coordinates,has disorder","257133","2020-10-21","18:00:00",""
"4038835","10.2581","0.0006","11.4654","0.0008","14.5949","0.0009","70.423","0.002","85.801","0.002","75.155","0.002","1563.19","0.17","157","2","157","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N2 O5 Si -","- C29 H36 N2 O5 Si -","- C58 H72 N4 O10 Si2 -","2","1","","Zhang, Yan-Xue; Chen, Ling-Yan; Sun, Jian-Ting; Si, Chang-Mei; Wei, Bang-Guo","Gold-Catalyzed Addition-<i>N</i>-Boc Cleavage-Cyclization of <i>N</i>,<i>O</i>-Acetal with Ynamides for Construction of 6-(<i>tert</i>-Butyldimethylsilyl)oxy-tetrahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-ones.","The Journal of organic chemistry","2020","85","19","12603","12613","10.1021/acs.joc.0c01776","","","0.71073","mokα","","0.0562","0.0426","","","0.1045","0.1137","","","","","","1.034","","","","has coordinates","257135","2020-10-21","18:00:00",""
"4038838","9.6838","0.0002","8.3369","0.0001","9.8668","0.0002","90","","116.416","0.002","90","","713.4","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Li, Shu-Sen; Wang, Jianbo","Cu(I)/Chiral Bisoxazoline-Catalyzed Enantioselective Sommelet-Hauser Rearrangement of Sulfonium Ylides.","The Journal of organic chemistry","2020","85","19","12343","12358","10.1021/acs.joc.0c01590","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.0596","0.0596","","","","","","1.028","","","","has coordinates","257151","2020-10-21","18:00:00",""
"4038859","9.2046","0.0002","16.5447","0.0004","21.3255","0.0005","90","","91.645","0.002","90","","3246.27","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N3 O P -","- C39 H34 N3 O P -","- C156 H136 N12 O4 P4 -","4","1","","Pattarawarapan, Mookda; Yamano, Dolnapa; Wiriya, Nittaya; Yimklan, Saranphong; Phakhodee, Wong","Simultaneous Formation and Functionalization of Aryliminophosphoranes Using 1,3-Dihydro-1<i>H</i>-benzimidazol-2-ones as Precursors.","The Journal of organic chemistry","2020","85","20","13330","13338","10.1021/acs.joc.0c01979","","x-ray","0.71073","MoKα","","0.0768","0.0522","","","0.1304","0.143","","","","","","1.069","","","","has coordinates,has disorder","258716","2020-11-04","01:30:35",""
"4038863","10.676","0.004","8.467","0.003","11.173","0.004","90","","106.897","0.004","90","","966.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Debnath, Sudipto; Das, Tuluma; Pati, Tanmay K.; Majumdar, Swapan; Maiti, Dilip K.","Metal-Free Indole-Phenacyl Bromide Cyclization: A Regioselective Synthesis of 3,5-Diarylcarbazoles.","The Journal of organic chemistry","2020","85","20","13272","13279","10.1021/acs.joc.0c01670","","","0.71073","MoKα","","0.0422","0.0358","","","0.0915","0.0983","","","","","","0.846","","","","has coordinates","258718","2020-11-04","01:30:53",""
"4038875","6.7505","0.0001","13.9462","0.0001","22.3174","0.0002","90","","90","","90","","2101.05","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0794","0.0821","","","","","","1.051","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038876","6.0637","0.0001","16.8612","0.0002","19.9302","0.0002","90","","90","","90","","2037.69","0.05","169.99","0.11","169.99","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0441","0.0415","","","0.1055","0.1116","","","","","","1.069","","","","has coordinates","258717","2020-11-04","01:30:45",""