# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T11:56:39+01:00
# 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 'ACS omega') AND volume = 2 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
"4516830","6.08329","0.00007","10.36929","0.00011","28.0962","0.0003","90","","90","","90","","1772.29","0.03","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Zhou, Zhi-Hua; Song, Qing-Wen; He, Liang-Nian","Silver(I)-Promoted Cascade Reaction of Propargylic Alcohols, Carbon Dioxide, and Vicinal Diols: Thermodynamically Favorable Route to Cyclic Carbonates.","ACS omega","2017","2","1","337","345","10.1021/acsomega.6b00407","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0791","0.0792","","","","","","1.08","","","","has coordinates","239574","2020-10-21","18:00:00",""
"4516831","5.654","0.003","13.433","0.012","22.786","0.013","90","","90","","90","","1731","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","0.71073","MoKα","","0.2127","0.0726","","","0.1086","0.1405","","","","","","0.987","","","","has coordinates","239575","2020-10-21","18:00:00",""
"4516832","11.8882","0.0007","9.102","0.0005","13.5891","0.0007","90","","94.43","0.03","90","","1466.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","1.34139","GaKα","","0.069","0.0606","","","0.1655","0.1734","","","","","","1.08","","","","has coordinates","239576","2020-10-21","18:00:00",""
"4516833","7.581","0.002","16.404","0.004","16.285","0.005","90","","102.321","0.006","90","","1978.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn4(Hdtim)4(H2O)8]","2014/6","","- C20 H24 Mn4 N40 O8 -","- C20 H24 Mn4 N40 O8 -","- C40 H48 Mn8 N80 O16 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.1437","0.0699","","","0.1248","0.148","","","","","","1.065","","","","has coordinates","239577","2020-10-21","18:00:00",""
"4516834","7.5445","0.0008","16.0615","0.0018","16.153","0.002","90","","102.219","0.002","90","","1913","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn4(Hdtm)4(H2O)8]","","","- C20 H24 N40 O8 Zn4 -","- C20 H24 N40 O8 Zn4 -","- C40 H48 N80 O16 Zn8 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.0412","0.0367","","","0.1146","0.1278","","","","","","0.999","","","","has coordinates","239578","2020-10-21","18:00:00",""
"4516835","9.796","","18.22","","22.12","","90","","90","","90","","3948.05","","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C160 H112 F48 O32 -","8","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0833","0.039","","","0.0992","0.1262","","","","","","0.984","","","","has coordinates","239579","2020-10-21","18:00:00",""
"4516836","13.957","","8.572","","17.061","","90","","104.7","","90","","1974.36","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C80 H56 F24 O16 -","4","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0643","0.0412","","","0.1085","0.1255","","","","","","1.005","","","","has coordinates","239580","2020-10-21","18:00:00",""
"4516837","17.0405","0.0003","17.0405","0.0003","28.3198","0.001","90","","90","","90","","8223.5","0.4","100","2","100","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","","","- C40 H32 B Cl2 Cr F20 O4 -","- C40 H32 B Cl2 Cr F20 O4 -","- C320 H256 B8 Cl16 Cr8 F160 O32 -","8","0.5","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0752","0.038","","","0.0654","0.0745","","","","","","0.988","","","","has coordinates","239581","2020-10-21","18:00:00",""
"4516838","7.0261","0.0003","28.8953","0.0011","11.939","0.0005","90","","100.211","0.002","90","","2385.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cr N3 -","- C27 H36 Cr N3 -","- C108 H144 Cr4 N12 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0348","0.0312","","","0.0923","0.095","","","","","","1.02","","","","has coordinates","239582","2020-10-21","18:00:00",""
"4516839","20.9402","0.0014","17.88","0.0012","17.0227","0.0012","90","","113.683","0.004","90","","5836.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C236 H172 B4 Cl8 Cr4 F80 N4 O8 P8 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1355","0.0624","","","0.1433","0.1759","","","","","","0.995","","","","has coordinates","239583","2020-10-21","18:00:00",""
"4516840","10.5859","0.0004","27.5961","0.0011","25.9776","0.0011","90","","97.937","0.003","90","","7516.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C314 H220 B4 Cl12 Cr4 F80 N8 P16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1662","0.1116","","","0.2752","0.313","","","","","","1.081","","","","has coordinates","239584","2020-10-21","18:00:00",""
"4516841","10.9963","0.0005","17.015","0.0008","19.1408","0.0009","90","","105.158","0.002","90","","3456.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Ag B F20 N4 -","- C32 H12 Ag B F20 N4 -","- C128 H48 Ag4 B4 F80 N16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0557","0.0396","","","0.0979","0.1059","","","","","","1.001","","","","has coordinates","239585","2020-10-21","18:00:00",""
"4516842","8.7648","0.0003","15.8313","0.0004","13.7699","0.0004","90","","92.006","0.001","90","","1909.52","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 N2 Ni -","- C21 H20 Cl2 N2 Ni -","- C84 H80 Cl8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0438","0.0318","","","0.0763","0.083","","","","","","1.033","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516843","8.8898","0.0002","16.2357","0.0005","13.6964","0.0004","90","","92.812","0.001","90","","1974.45","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 N2 Ni -","- C21 H20 Br2 N2 Ni -","- C84 H80 Br8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0461","0.028","","","0.0639","0.071","","","","","","1.025","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516844","10.6392","0.0002","13.9963","0.0002","14.0566","0.0003","90","","93.891","0.001","90","","2088.34","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 I2 N2 Ni -","- C21 H20 I2 N2 Ni -","- C84 H80 I8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0515","0.0343","","","0.0728","0.0797","","","","","","1.023","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516845","14.9404","0.0009","14.3046","0.0009","18.9865","0.0008","90","","101.592","0.002","90","","3975","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl4 N4 Ni O4 -","- C41 H38 Cl4 N4 Ni O4 -","- C164 H152 Cl16 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0831","0.0563","","","0.1421","0.1579","","","","","","1.055","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516846","14.9042","0.0009","14.4103","0.0009","19.0672","0.0009","90","","101.68","0.002","90","","4010.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Br Cl3 N4 Ni O4 -","- C41 H38 Br Cl3.002 N4 Ni O4 -","- C164 H152 Br4 Cl12.008 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0862","0.0438","","","0.0924","0.1098","","","","","","1","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516847","9.8216","0.0005","10.4129","0.0005","18.4809","0.0009","86.609","0.003","77.757","0.003","82.462","0.003","1830.16","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Cl I N4 Ni O4 -","- C40 H36 Cl I N4 Ni O4 -","- C80 H72 Cl2 I2 N8 Ni2 O8 -","2","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0923","0.0518","","","0.1385","0.1608","","","","","","1.029","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516848","6.4312","0.00013","22.8417","0.0005","15.8232","0.0003","90","","95.972","0.002","90","","2311.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0404","0.0371","","","0.1009","0.1055","","","","","","1.002","","","","has coordinates","239587","2020-10-21","18:00:00",""
"4516849","14.5573","0.0016","8.6999","0.0009","12.7827","0.0014","90","","96.586","0.01","90","","1608.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0709","0.0558","","","0.1305","0.1427","","","","","","1.057","","","","has coordinates","239588","2020-10-21","18:00:00",""
"4516850","16.8731","0.0005","13.9085","0.0004","21.1754","0.0006","90","","93.668","0.003","90","","4959.3","0.2","100","2","100","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C56 H52 B2 Cu F8 N4 O4 -","- C56 H52 B2 Cu F8 N4 O4 -","- C224 H208 B8 Cu4 F32 N16 O16 -","4","0.5","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0336","0.0297","","","0.1127","0.1175","","","","","","1.021","","","","has coordinates","239589","2020-10-21","18:00:00",""
"4516851","12.1035","0.0006","7.5373","0.0003","24.9505","0.0014","90","","102.083","0.005","90","","2225.75","0.19","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.063","0.0425","","","0.1022","0.1117","","","","","","1.044","","","","has coordinates","239590","2020-10-21","18:00:00",""
"4516852","20.8249","0.0004","8.55531","0.00017","24.3304","0.0005","90","","90","","90","","4334.79","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N3 O -","- C28 H26 N3 O -","- C224 H208 N24 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0452","0.0388","","","0.125","0.1339","","","","","","1.099","","","","has coordinates","239591","2020-10-21","18:00:00",""
"4516853","7.51","0.005","18.28","0.006","9.683","0.004","90","","107.65","0.04","90","","1266.7","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br2 N -","- C13 H11 Br2 N -","- C52 H44 Br8 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0618","","","","0.1793","","","","","","1.034","","","","has coordinates","239592","2020-10-21","18:00:00",""
"4516854","8.818","0.002","11.378","0.003","11.618","0.003","90","","100.853","0.017","90","","1144.8","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0478","","","","0.163","","","","","","1.07","","","","has coordinates","239593","2020-10-21","18:00:00",""
"4516855","5.5786","0.0008","7.5398","0.0011","23.223","0.004","90","","90","","90","","976.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0597","0.0451","","","0.1127","0.1209","","","","","","1.068","","","","has coordinates","239594","2020-10-21","18:00:00",""
"4516856","9.9925","0.0006","17.2375","0.001","14.6398","0.0008","90","","94.895","0.001","90","","2512.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 I2 N4 O2 Pd -","- C23 H24 I2 N4 O2 Pd -","- C92 H96 I8 N16 O8 Pd4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0398","0.0311","","","0.093","0.1001","","","","","","1.041","","","","has coordinates","239595","2020-10-21","18:00:00",""
"4516857","5.6463","0.0003","8.2933","0.0004","26.5684","0.0014","90","","93.68","0.001","90","","1241.54","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B F4 N2 O -","- C11 H13 B F4 N2 O -","- C44 H52 B4 F16 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.055","0.0417","","","0.0981","0.1071","","","","","","1.069","","","","has coordinates","239596","2020-10-21","18:00:00",""
"4516858","36.0917","0.0015","5.1773","0.0002","13.821","0.0006","90","","91.583","0.001","90","","2581.57","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 I2 N4 O2 -","- C23 H26 I2 N4 O2 -","- C92 H104 I8 N16 O8 -","4","0.5","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0243","0.0209","","","0.0659","0.0698","","","","","","0.991","","","","has coordinates","239597","2020-10-21","18:00:00",""
"4516859","7.3415","0.0001","10.2832","0.0001","17.6002","0.0002","90","","90","","90","","1328.71","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aranzamendi, Eider; Sotomayor, Nuria; Lete, Esther","Phenolic Activation in Chiral Brønsted Acid-Catalyzed Intramolecular α-Amidoalkylation Reactions for the Synthesis of Fused Isoquinolines.","ACS omega","2017","2","6","2706","2718","10.1021/acsomega.7b00170","","x-ray","1.54184","CuKα","","0.026","0.0254","","","0.065","0.0655","","","","","","1.055","","","","has coordinates","239598","2020-10-21","18:00:00",""
"4516860","22.9275","0.0011","10.705","0.0004","30.4859","0.001","90","","90","","90","","7482.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H88 Cu4 N8 Na3 O30 P -","- C62 H58 Cu4 N8 Na3 O30 P -","- C248 H232 Cu16 N32 Na12 O120 P4 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.1093","0.0722","","","0.175","0.1977","","","","","","1.061","","","","has coordinates,has disorder","239599","2020-10-21","18:00:00",""
"4516861","23.4332","0.0006","10.3864","0.0003","30.7434","0.0009","90","","90","","90","","7482.5","0.4","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H92.3 As Cu4 K2 N8 O31.67 -","- C62 H58 As Cu4 K2 N8 O31.67 -","- C248 H232 As4 Cu16 K8 N32 O126.68 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.0538","0.0479","","","0.1321","0.1364","","","","","","1.109","","","","has coordinates,has disorder","239600","2020-10-21","18:00:00",""
"4516862","32.2177","0.0015","13.35","0.0006","39.051","0.002","90","","108.074","0.006","90","","15967.3","1.4","100","2","100","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C62 H90 Cl3 N8 Na O28.5 P Zn4 -","- C62 H58 Cl3 N8 Na O28.5 P Zn4 -","- C496 H464 Cl24 N64 Na8 O228 P8 Zn32 -","8","1","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","","1.54184","CuKα","","0.1141","0.0977","","","0.2794","0.2989","","","","","","1.043","","","","has coordinates,has disorder","239601","2020-10-21","18:00:00",""
"4516863","12.3561","0.0009","21.5867","0.0016","25.9119","0.0019","90","","97.685","0.001","90","","6849.3","0.9","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C284 H248 Br16 Cl8 O12 P8 Pd8 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Shoji, Yoshiaki; Nishikawa, Tsuyoshi; Takeda, Ryohei; Nagata, Yuuya; Suginome, Michinori; Uozumi, Yasuhiro; Yamada, Yoichi M. A.; Fukushima, Takanori","Synthesis and Catalytic Applications of a Triptycene-Based Monophosphine Ligand for Palladium-Mediated Organic Transformations.","ACS omega","2017","2","5","1930","1937","10.1021/acsomega.7b00200","","","0.71073","MoKα","","0.044","0.0377","","","0.099","0.1037","","","","","","1.025","","","","has coordinates,has disorder","239602","2020-10-21","18:00:00",""
"4516864","10.4695","0.0007","13.2135","0.0007","20.0206","0.0011","80.529","0.004","75.371","0.005","72.857","0.005","2548.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Al2 N2 P2 -","- C56 H74 Al2 N2 P2 -","- C112 H148 Al4 N4 P4 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0827","0.0603","","","0.1264","0.1355","","","","","","1.053","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516865","8.86","0.0002","17.185","0.0004","18.9406","0.0005","90","","96.662","0.002","90","","2864.41","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Al N P -","- C32 H43 Al N P -","- C128 H172 Al4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0547","0.0446","","","0.1034","0.1084","","","","","","1.033","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516866","9.0888","0.0005","12.6922","0.0008","18.1397","0.001","81.178","0.005","75.876","0.005","71.478","0.005","1917.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 Al N P -","- C44 H53 Al N P -","- C88 H106 Al2 N2 P2 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0516","0.0415","","","0.0984","0.1029","","","","","","1.017","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516867","22.224","0.001","10.3811","0.0003","19.8887","0.0008","90","","106.535","0.004","90","","4398.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Al N P Si -","- C48 H60 Al N P Si -","- C192 H240 Al4 N4 P4 Si4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0651","0.0507","","","0.117","0.1236","","","","","","1.035","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516868","11.2201","0.0003","17.0091","0.0005","34.4339","0.0012","90","","90","","90","","6571.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H94 Al2 N2 P2 Si2 -","- C66 H94 Al2 N2 P2 Si2 -","- C264 H376 Al8 N8 P8 Si8 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0512","0.0448","","","0.0954","0.0985","","","","","","1.101","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516869","9.8448","0.0002","21.6758","0.0004","18.8506","0.0004","90","","103.603","0.002","90","","3909.76","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Al Br N P -","- C43 H51 Al Br N P -","- C172 H204 Al4 Br4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0413","0.0381","","","0.0971","0.1009","","","","","","1.032","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516870","12.8768","0.0004","15.7414","0.0005","16.2486","0.0006","90","","102.37","0.003","90","","3217.11","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Al Br N2 P -","- C35 H41 Al Br N2 P -","- C140 H164 Al4 Br4 N8 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0589","0.0535","","","0.1359","0.1453","","","","","","1.039","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516871","10.4534","0.0002","21.1539","0.0005","17.4007","0.0004","90","","94.825","0.002","90","","3834.18","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H56 Al N3 P -","- C41 H56 Al N3 P -","- C164 H224 Al4 N12 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0605","0.0492","","","0.1203","0.1264","","","","","","1.027","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516872","3.7419","0.0004","8.4966","0.0009","20.448","0.002","90","","90.597","0.003","90","","650.08","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H6 N4 O4 -","- C16 H6 N4 O4 -","- C32 H12 N8 O8 -","2","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0563","0.0464","","","0.0697","0.0725","","","","1.61","1.61","1.54","","","","has coordinates","239604","2020-10-21","18:00:00",""
"4516873","7.4784","0.0011","8.6549","0.0012","20.629","0.003","90","","94.493","0.004","90","","1331.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br N3 O4 -","- C15 H6 Br N3 O4 -","- C60 H24 Br4 N12 O16 -","4","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0446","0.0289","","","0.0392","0.042","","","","1.38","1.38","1.3","","","","has coordinates","239604","2020-10-21","18:00:00",""
"4516874","10.4594","0.0008","12.3954","0.001","26.28","0.002","90","","95.388","0.001","90","","3392.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B Cl2 F2 N3 O5 -","- C38 H32 B Cl2 F2 N3 O5 -","- C152 H128 B4 Cl8 F8 N12 O20 -","4","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.1113","0.0824","","","0.2326","0.2571","","","","","","1.082","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516875","10.5005","0.0014","10.9651","0.0014","14.867","0.0019","90.158","0.002","104.416","0.001","102.641","0.002","1614.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B Cl2 F2 N3 O3 -","- C36 H28 B Cl2 F2 N3 O3 -","- C72 H56 B2 Cl4 F4 N6 O6 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0729","0.0553","","","0.1492","0.1644","","","","","","1.064","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516876","11.441","0.012","12.524","0.013","13.818","0.014","95.751","0.013","90.47","0.012","107.762","0.011","1874","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F2 N3 O6 -","- C41 H36 B F2 N3 O6 -","- C82 H72 B2 F4 N6 O12 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.2106","0.1117","","","0.2655","0.3285","","","","","","1.007","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516877","10.8724","0.0012","12.3475","0.0014","13.0261","0.0015","106.184","0.001","98.292","0.001","98.518","0.001","1628.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B F2 N3 O4 -","- C39 H32 B F2 N3 O4 -","- C78 H64 B2 F4 N6 O8 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0775","0.0595","","","0.179","0.1987","","","","","","1.037","","","","has coordinates","239605","2020-10-21","18:00:00",""
"4516878","14.079","0.0007","9.5407","0.0004","15.4359","0.0007","90","","111.764","0.001","90","","1925.61","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0726","0.0569","","","0.1429","0.1532","","","","","","1.049","","","","has coordinates","239606","2020-10-21","18:00:00",""
"4516879","11.975","0.002","6.8162","0.0011","18.711","0.003","90","","98.345","0.004","90","","1511.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 F2 N6 O5 -","- C34 H30 F2 N6 O5 -","- C68 H60 F4 N12 O10 -","2","0.5","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0975","0.0649","","","0.1483","0.1637","","","","","","1.097","","","","has coordinates","239607","2020-10-21","18:00:00",""
"4516880","5.0999","0.0001","15.0074","0.0006","23.3654","0.0009","90","","90","","90","","1788.3","0.11","293","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","de Castro, Pedro P.; Rimulo, Isabela M. R.; de Almeida, Angelina M.; Diniz, Renata; Amarante, Giovanni W.","Brønsted Acid-Catalyzed Epimerization-Free Preparation of Dual-Protected Amino Acid Derivatives.","ACS omega","2017","2","6","2967","2976","10.1021/acsomega.7b00523","","x-ray","0.71073","MoKα","","0.0852","0.0594","","","0.1638","0.1802","","","","","","1.072","","","","has coordinates,has disorder","239608","2020-10-21","18:00:00",""
"4516881","11.5528","0.0003","12.6752","0.0003","20.7463","0.0004","97.0831","0.0017","96.7463","0.0018","117.036","0.003","2633.08","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 N6 O29 P6 Ru -","- C30 H18 N6 O29 P6 Ru -","- C60 H36 N12 O58 P12 Ru2 -","2","1","","Furugori, Sogo; Kobayashi, Atsushi; Watanabe, Ayako; Yoshida, Masaki; Kato, Masako","Impact of Photosensitizing Multilayered Structure on Ruthenium(II)-Dye-Sensitized TiO<sub>2</sub>-Nanoparticle Photocatalysts.","ACS omega","2017","2","7","3901","3912","10.1021/acsomega.7b00566","","","1.54187","CuKα","","0.0857","0.0771","","","0.2273","0.2383","","","","","","1.057","","","","has coordinates","239609","2020-10-21","18:00:00",""
"4516882","33.259","0.003","33.259","0.003","15.5227","0.0018","90","","90","","120","","14870","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C34 H34 N4 O2 -","- C34 H34 N4 O2 -","- C612 H612 N72 O36 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0729","0.0529","","","0.1308","0.1406","","","","","","1.055","","","","has coordinates,has disorder","239610","2020-10-21","18:00:00",""
"4516883","22.72","0.003","8.2209","0.0009","17.0117","0.0019","90","","90","","90","","3177.4","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0731","0.0439","","","0.0834","0.0936","","","","","","1.038","","","","has coordinates","239611","2020-10-21","18:00:00",""
"4516884","9.266","0.0011","15.0394","0.0017","13.5414","0.0016","90","","104.785","0.003","90","","1824.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.1043","0.0591","","","0.1177","0.1356","","","","","","1.052","","","","has coordinates,has disorder","239612","2020-10-21","18:00:00",""
"4516885","42.788","0.003","42.788","0.003","7.4202","0.0006","90","","90","","120","","11765","1.5","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C414 H360 N36 O72 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.089","0.0504","","","0.126","0.14","","","","","","1.058","","","","has coordinates","239613","2020-10-21","18:00:00",""
"4516886","7.4731","0.0006","9.404","0.0008","14.367","0.0012","93.623","0.002","100.659","0.002","111.227","0.002","915.54","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0639","0.0443","","","0.1062","0.1161","","","","","","1.024","","","","has coordinates","239614","2020-10-21","18:00:00",""
"4516887","18.3177","0.0014","11.2752","0.0009","26.814","0.002","90","","100.871","0.003","90","","5438.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C272 H256 N32 O16 -","8","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0593","0.0427","","","0.1036","0.1128","","","","","","1.038","","","","has coordinates","239615","2020-10-21","18:00:00",""
"4516888","11.183","0.0003","11.7285","0.0003","16.6352","0.0004","90","","90","","90","","2181.87","0.1","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O -","- C26 H22 Cl2 N2 O -","- C104 H88 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Wan, Yameng; Huang, Yuanyuan; Huang, Guoqing; Zhang, Guisheng","Ammonium Acetate-Promoted One-Pot Tandem Aldol Condensation/Aza-Addition Reactions: Synthesis of 2,3,6,7-Tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridin-4(5<i>H</i>)-ones.","ACS omega","2017","2","10","6844","6851","10.1021/acsomega.7b00626","","x-ray","1.54184","CuKα","","0.0411","0.0376","","","0.0939","0.0973","","","","","","1.049","","","","has coordinates","239616","2020-10-21","18:00:00",""
"4516889","12.018","0.002","17.578","0.004","12.558","0.003","90","","103.46","0.03","90","","2580","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0611","0.0598","","","0.1535","0.1547","","","","","","1.051","","","","has coordinates,has disorder","239617","2020-10-21","18:00:00",""
"4516890","15.3958","0.0006","17.8619","0.0007","29.6863","0.0011","90","","103.301","0.004","90","","7944.7","0.5","190","2","190","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C216 H252 B24 F96 Fe12 N84 S36 -","12","6","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.71073","MoKα","","0.113","0.0822","","","0.2106","0.2469","","","","","","1.017","","","","has coordinates,has disorder","239618","2020-10-21","18:00:00",""
"4516891","12.392","0.003","17.872","0.004","12.651","0.003","90","","102.41","0.03","90","","2736.3","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0842","0.0798","","","0.2385","0.2441","","","","","","1.095","","","","has coordinates,has disorder","239619","2020-10-21","18:00:00",""
"4516892","12.4742","0.0005","9.8102","0.0004","17.1419","0.0008","90","","103.499","0.002","90","","2039.78","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Angamuthu, Venkatachalam; Chang, Wen-Jung; Hou, Duen-Ren","Anti-addition of Dimethylsulfoxonium Methylide to Acyclic α,β-Unsaturated Ketones and Its Application in Formal Synthesis of an Eicosanoid.","ACS omega","2017","2","8","4088","4099","10.1021/acsomega.7b00663","","","0.71073","MoKα","","0.087","0.0704","","","0.1821","0.1971","","","","","","1.054","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516893","8.095","0.002","14.812","0.004","15.641","0.004","66.874","0.012","76.588","0.014","77.346","0.014","1660.4","0.8","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H50 Br2 N6 Pd -","- C28 H50 Br2 N6 Pd -","- C56 H100 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.033","0.0258","","","0.0529","0.055","","","","","","0.892","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516894","7.715","0.004","7.865","0.004","14.299","0.007","101.479","0.008","95.384","0.005","90.079","0.007","846.4","0.7","273","","273","","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","","0.0553","","","","0.1204","","","","","","1.151","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516895","7.706","0.0015","7.8581","0.0016","14.256","0.003","101.44","0.03","95.42","0.03","90.11","0.03","842.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71073","MoKα","","0.0491","0.0373","","","0.067","0.073","","","","","","0.929","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516896","11.565","0.003","13.039","0.003","13.719","0.003","98.396","0.004","95.925","0.004","101.192","0.003","1989.1","0.8","150","2","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Br2 N6 Pd -","- C38 H54 Br2 N6 Pd -","- C76 H108 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0564","0.0369","","","0.0823","0.0994","","","","","","1.086","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516897","18.899","0.005","11.212","0.003","27.511","0.007","90","","95.294","0.004","90","","5805","3","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C192 H300 F36 N36 O24 Pd6 -","6","3","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0854","0.0719","","","0.1488","0.1591","","","","","","1.057","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516898","9.734","0.006","20.3275","0.001","11.937","0.007","90","","109.531","0.008","90","","2226","1.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0887","0.0763","","","0.1545","0.1766","","","","","","1.044","","","","has coordinates","276342","2022-06-28","16:10:47",""
"4516899","10.561","0.002","11.169","0.002","16.133","0.003","90","","92.303","0.003","90","","1901.4","0.6","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C64 H100 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0443","0.0397","","","0.0793","0.0829","","","","","","1.03","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516900","9.702","0.003","20.111","0.006","11.874","0.004","90","","109.578","0.003","90","","2182.9","1.2","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0902","0.0571","","","0.0925","0.1186","","","","","","0.857","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516901","15.892","0.003","7.5837","0.0015","17.555","0.004","90","","90.64","0.03","90","","2115.6","0.8","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br -","- C30 H19 Br -","- C120 H76 Br4 -","4","1","","Dhangar, Gopal; Serrano, Jose Luis; Schulzke, Carola; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Palladacycle-Catalyzed Triple Suzuki Coupling Strategy for the Synthesis of Anthracene-Based OLED Emitters.","ACS omega","2017","2","7","3144","3156","10.1021/acsomega.7b00725","","","0.71073","MoKα","","0.0707","0.042","","","0.1026","0.1173","","","","","","0.961","","","","has coordinates","239623","2020-10-21","18:00:00",""
"4516902","10.37","0.002","16.668","0.004","13.0761","0.0018","90","","124.978","0.01","90","","1851.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Zhu, Jing; Yuan, Yi; Wang, Shaozhong; Yao, Zhu-Jun","Synthesis of 2,3-Dialkylated Tartaric Acid Esters via Visible Light Photoredox-Catalyzed Reductive Dimerization of α-Ketoesters.","ACS omega","2017","2","8","4665","4677","10.1021/acsomega.7b00749","","","0.71073","MoKα","","0.1227","0.0678","","","0.1821","0.212","","","","","","1.054","","","","has coordinates","239624","2020-10-21","18:00:00",""
"4516903","39.0066","0.0013","22.1515","0.0006","21.675","0.0006","90","","107.667","0.0012","90","","17845.1","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.15 N O4.07 -","- C27 H23.1495 N O4.07475 -","- C864 H740.784 N32 O130.392 -","32","4","","Saito, Koya; Yoshida, Masahito; Uekusa, Hidehiro; Doi, Takayuki","Facile Synthesis of Pyrrolyl 4-Quinolinone Alkaloid Quinolactacide by 9-AJ-Catalyzed Tandem Acyl Transfer-Cyclization of <i>o</i>-Alkynoylaniline Derivatives.","ACS omega","2017","2","8","4370","4381","10.1021/acsomega.7b00793","","","0.71073","MoKα","","0.1405","0.0655","","","0.1527","0.2233","","","","","","0.994","","","","has coordinates","239625","2020-10-21","18:00:00",""
"4516904","8.1717","0.0014","8.2522","0.0014","10.8564","0.0018","79.563","0.002","89.113","0.002","83.6","0.002","715.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C28 H22 Cl2 N4 O12 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0594","0.0468","","","0.1341","0.1446","","","","","","0.922","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516905","10.856","0.003","11.154","0.003","14.213","0.003","106.325","0.003","104.731","0.003","106.209","0.003","1479","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6.5 -","- C14 H12 Cl N2 O6.5 -","- C56 H48 Cl4 N8 O26 -","4","2","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.053","0.0438","","","0.151","0.1567","","","","","","1.149","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516906","7.2428","0.0003","13.052","0.0006","29.5375","0.0013","90","","90","","90","","2792.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0516","0.0449","","","0.1616","0.167","","","","","","1.354","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516907","7.0003","0.0011","8.2219","0.0019","10.5516","0.0017","85.243","0.003","78.471","0.002","79.703","0.002","584.77","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 S -","- C10 H8 Cl N3 O4 S -","- C20 H16 Cl2 N6 O8 S2 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0294","0.0265","","","0.0659","0.067","","","","","","1.263","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516908","11.7902","0.0005","11.311","0.0005","12.3892","0.0006","90","","109.79","0.001","90","","1554.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C56 H44 Cl4 N16 O16 -","4","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0661","0.0495","","","0.136","0.1422","","","","","","1.525","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516909","6.795","0.0005","7.4766","0.0005","13.7306","0.0009","77.211","0.004","88.2","0.004","69.323","0.004","635.6","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N4 O4 -","- C11 H9 Cl N4 O4 -","- C22 H18 Cl2 N8 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0771","0.0726","","","0.2368","0.2463","","","","","","1.447","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516910","5.7224","0.0004","10.5903","0.0007","11.2992","0.0007","95.938","0.001","103.751","0.001","94.742","0.001","657.47","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0384","0.0319","","","0.0878","0.0955","","","","","","0.625","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516911","5.9445","0.0003","10.739","0.0005","10.9139","0.0005","98.91","0.002","95.465","0.002","105.836","0.002","655.22","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0363","0.0326","","","0.1155","0.1208","","","","","","0.951","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516912","8.281","0.003","27.212","0.008","5.4812","0.0016","90","","90","","90","","1235.1","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Reddy, N. Naresh Kumar; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Catalyst-Free Synthesis of 2,4-Disubstituted-1<i>H</i>-imidazoles through [3 + 2] Cyclization of Vinyl Azides with Amidines.","ACS omega","2017","2","8","5235","5241","10.1021/acsomega.7b00969","","","0.71073","MoKα","","0.0876","0.0576","","","0.1238","0.1334","","","","","","0.969","","","","has coordinates","239627","2020-10-21","18:00:00",""
"4516913","25.456","0.0003","5.6041","0.0001","16.3636","0.0002","90","","97.0043","0.0004","90","","2316.98","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O8 S2 -","- C24 H20 N4 O8 S2 -","- C96 H80 N16 O32 S8 -","4","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.0324","0.0318","","","0.086","0.0866","","","","","","1.071","","","","has coordinates","239628","2020-10-21","18:00:00",""
"4516914","16.095","0.004","21.593","0.005","8.257","0.002","90","","101.741","0.011","90","","2809.6","1.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(phenylmethyl) 2,8-Dinitro-1,5-naphthalenediylcarbamate THF solvate","","- C30 H28 N4 O9 -","- C30 H28 N4 O9 -","- C120 H112 N16 O36 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.1921","0.0978","","","0.2271","0.2893","","","","","","1.013","","","","has coordinates,has disorder","239629","2020-10-21","18:00:00",""
"4516915","9.2281","0.0003","10.7423","0.0004","15.1969","0.0005","81.895","0.002","84.293","0.002","76.469","0.002","1446.58","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O9 S2 -","- C28 H28 N4 O9 S2 -","- C56 H56 N8 O18 S4 -","2","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.0416","0.0355","","","0.0896","0.0935","","","","","","1.044","","","","has coordinates","239630","2020-10-21","18:00:00",""
"4516916","21.374","0.002","5.9585","0.0005","10.0311","0.0008","90","","92.402","0.004","90","","1276.41","0.19","150","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O8 -","- C26 H20 N4 O8 -","- C52 H40 N8 O16 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.1263","0.1112","","","0.3257","0.3528","","","","","","1.537","","","","has coordinates,has disorder","239631","2020-10-21","18:00:00",""
"4516917","19.6145","0.0005","15.4076","0.0004","16.3628","0.0004","90","","90","","90","","4945","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))zinc(ii) diperchlorate acetonitrile solvate","","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C144 H200 Cl8 N40 O32 S16 Zn12 -","4","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0191","0.0189","","","0.049","0.0491","","","","","","1.072","","","","has coordinates","239632","2020-10-21","18:00:00",""
"4516918","17.0064","0.0003","17.0064","0.0003","15.328","0.0003","90","","90","","90","","4433.13","0.14","100","2","100","2","","","","","","","","8","I -4","I -4","82","","(meso-Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate bishydrate","","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C128 H192 Cl8 Hg4 N32 O40 S16 Zn8 -","4","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0578","0.0562","","","0.1381","0.1394","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516919","34.6454","0.0015","14.5668","0.0007","22.3937","0.001","90","","102.175","0.001","90","","11047.3","0.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C346 H472 Cl16 Hg8 N88 O64 S32 Zn16 -","8","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0366","0.0285","","","0.0658","0.0697","","","","","","1.039","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516920","9.59","0.0002","17.3124","0.0004","18.5657","0.0005","109.74","0.001","101.536","0.001","101.986","0.001","2713.11","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C89 H118 Cl4 Hg2 N18 O16 S8 Zn4 -","2","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0474","0.044","","","0.1444","0.1499","","","","","","1.092","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516921","10.2995","0.0003","14.7078","0.0004","16.5684","0.0004","87.079","0.001","87.966","0.002","75.654","0.001","2427.73","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","1","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0436","0.0403","","","0.103","0.1065","","","","","","1.077","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516922","10.6004","0.0009","15.5825","0.0012","14.5579","0.0012","90","","91.269","0.001","90","","2404.1","0.3","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate toluene solvate","","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C78 H104 Cl4 Hg2 N16 O16 S8 Zn4 -","2","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0427","0.0402","","","0.1304","0.1327","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516923","14.309","0.0009","5.7406","0.0006","19.1631","0.0009","90","","98.798","0.006","90","","1555.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O6 -","- C17 H12 N2 O6 -","- C68 H48 N8 O24 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Aerobic Metal-Free Dioxygenation of Alkenes with <i>tert</i>-Butyl Nitrite and <i>N</i>-Hydroxylamines.","ACS omega","2017","2","9","6278","6290","10.1021/acsomega.7b01111","","","0.71073","MoKα","","0.0818","0.0566","","","0.095","0.1076","","","","","","1.027","","","","has coordinates","239633","2020-10-21","18:00:00",""
"4516924","27.389","0.002","27.389","0.002","9.7549","0.0007","90","","90","","120","","6337.3","0.8","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- C80 H120 N18 O16 S -","- C79.998 H119.995 N18 O16 S -","- C239.994 H359.985 N54 O48 S3 -","3","1","","Portis, Bobby; Mirchi, Ali; Emami Khansari, Maryam; Pramanik, Avijit; Johnson, Corey R.; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","An Ideal <i>C</i><sub>3</sub>-Symmetric Sulfate Complex: Molecular Recognition of Oxoanions by <i>m</i>-Nitrophenyl- and Pentafluorophenyl-Functionalized Hexaurea Receptors.","ACS omega","2017","2","9","5840","5849","10.1021/acsomega.7b01115","","","0.71073","MoKα","","0.1024","0.071","","","0.1798","0.2007","","","","","","1.007","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"4516925","7.7434","0.0003","12.1722","0.0005","20.2617","0.0007","95.227","0.003","93.915","0.002","98.882","0.002","1872.41","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1107","0.0532","","","0.0966","0.1357","","","","","","1.081","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516926","8.8491","0.0007","10.9303","0.0015","10.9736","0.001","105.249","0.01","93.074","0.007","103.966","0.009","985.96","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1879","0.0839","","","0.1332","0.173","","","","","","1.078","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516927","8.2476","0.0016","9.157","0.0017","13.002","0.003","80.729","0.015","80.544","0.014","80.501","0.014","946.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O6 S -","- C17 H19 N3 O6 S -","- C34 H38 N6 O12 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.128","0.079","","","0.1689","0.1945","","","","","","1.069","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516928","8.9102","0.0006","9.9426","0.0007","11.7194","0.0008","91.392","0.004","104.2","0.004","106.984","0.004","957.44","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O5 S2 -","- C17 H19 N3 O5 S2 -","- C34 H38 N6 O10 S4 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.0941","0.0479","","","0.1255","0.1478","","","","","","1.01","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516929","13.6859","0.0006","17.7916","0.0007","30.7988","0.0014","93.988","0.004","96.865","0.004","109.357","0.004","6976.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H98 F6 N8 O10 Si -","- C62 H98 F6 N8 O10 Si -","- C248 H392 F24 N32 O40 Si4 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1709","0.0935","","","0.1533","0.1862","","","","","","1.058","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516930","9.2162","0.0018","11.9031","0.0018","12.665","0.002","90","","95.002","0.015","90","","1384.1","0.4","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C56 H64 Br4 N4 O8 -","4","1","","Zhang, Jie-Huan; Wang, Ru-Bing; Li, De-Feng; Zhao, Li-Ming","Green Method To Preparing Oxindole-Fused Spirotetrahydrofuran Scaffolds through Methanesulfonic Acid-Catalyzed Cyclization Reactions of 3-Allyl-3-hydroxy-2-oxindole in Water.","ACS omega","2017","2","10","7022","7028","10.1021/acsomega.7b01279","","x-ray","0.71073","MoKα","","0.1689","0.0914","","","0.2174","0.2791","","","","","","1.034","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4516931","11.5855","0.0009","13.7576","0.0014","11.9138","0.0009","90","","111.058","0.002","90","","1772.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cu2 I2 P2 Pt S2 -","- C30 H44 Cu2 I2 P2 Pt S2 -","- C60 H88 Cu4 I4 P4 Pt2 S4 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0266","0.0233","","","0.0568","0.0581","","","","","","1.144","","","","has coordinates","239637","2020-10-21","18:00:00",""
"4516932","9.1837","0.0017","9.7176","0.0018","10.067","0.002","101.961","0.005","97.001","0.005","90.11","0.004","872","0.3","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0408","0.0351","","","0.0804","0.0853","","","","","","1.093","","","","has coordinates","239638","2020-10-21","18:00:00",""
"4516933","9.1683","0.0016","9.6345","0.0017","10.0679","0.0018","101.983","0.003","96.491","0.003","90.18","0.003","864","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0186","0.0172","","","0.0405","0.0412","","","","","","1.038","","","","has coordinates","239639","2020-10-21","18:00:00",""
"4516934","8.724","0.004","9.467","0.005","11.201","0.005","98.149","0.015","102.16","0.009","116.678","0.011","777.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0149","0.0149","","","0.0381","0.0381","","","","","","1.169","","","","has coordinates","239640","2020-10-21","18:00:00",""
"4516935","9.11","0.002","9.191","0.002","12.721","0.003","69.754","0.005","85.301","0.005","63.395","0.004","890.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0351","0.0303","","","0.0754","0.0773","","","","","","1.077","","","","has coordinates","239641","2020-10-21","18:00:00",""
"4516936","10.3208","0.0016","10.5678","0.0017","11.2817","0.0018","77.262","0.003","65.786","0.003","63.262","0.003","1001.2","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C28 H38 Cu4 I4 N2 P2 Pt S2 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0273","0.0223","","","0.0512","0.0537","","","","","","1.16","","","","has coordinates","239642","2020-10-21","18:00:00",""
"4516937","11.995","0.006","12.221","0.008","12.496","0.008","71.77","0.02","84.647","0.014","62.2","0.05","1536","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cl2 N2 O4 -","- C38 H28 Cl2 N2 O4 -","- C76 H56 Cl4 N4 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.2434","0.0677","","","0.1185","0.1391","","","","","","0.957","","","","has coordinates","239643","2020-10-21","18:00:00",""
"4516938","11.8189","0.0015","12.2358","0.0015","12.625","0.0016","103.752","0.004","94.826","0.004","118.541","0.004","1515.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl N3 O4 -","- C38 H26 Cl N3 O4 -","- C76 H52 Cl2 N6 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.0859","0.0496","","","0.1363","0.1498","","","","","","1.016","","","","has coordinates","239643","2020-10-21","18:00:00",""
"4516939","10.4573","0.0002","11.9728","0.0003","12.8415","0.0003","90","","93.954","0.001","90","","1603.97","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0379","0.0311","","","0.0879","0.0932","","","","","","1.084","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516940","7.7827","0.001","11.3884","0.0011","16.0505","0.0019","93.532","0.009","94.791","0.01","91.122","0.009","1414.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C64 H60 N12 S4 -","4","2","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.1496","0.0609","","","0.0994","0.1275","","","","","","0.916","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516941","14.5736","0.0003","14.5736","0.0003","22.951","0.0013","90","","90","","90","","4874.6","0.3","293","","293","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.1171","0.0521","","","0.1077","0.1275","","","","","","0.95","","","","has coordinates,has disorder","239644","2020-10-21","18:00:00",""
"4516942","7.9733","0.0002","7.9374","0.0002","25.4882","0.0005","90","","97.386","0.002","90","","1599.69","0.07","193","2","192.9","0.4","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0432","0.0377","","","0.0932","0.0981","","","","","","1.049","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516943","9.5762","0.0006","9.9473","0.0006","10.8647","0.0007","111.404","0.002","112.175","0.002","99.826","0.002","833.26","0.09","180","2","180","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C44 H38 N6 -","2","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0815","0.0525","","","0.1289","0.1451","","","","","","1.027","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516944","7.6433","0.0006","20.2686","0.0014","8.686","0.0006","90","","112.654","0.002","90","","1241.81","0.16","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0573","0.0452","","","0.1216","0.1316","","","","","","1.042","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516945","8.7789","0.0002","11.5391","0.0003","15.1241","0.0004","90","","90","","90","","1532.08","0.07","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N5 S -","- C15 H19 N5 S -","- C60 H76 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0371","0.0322","","","0.082","0.0856","","","","","","1.057","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516946","9.6381","0.0004","12.9175","0.0005","12.0791","0.0004","90","","110.705","0.001","90","","1406.72","0.09","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N5 S -","- C14 H17 N5 S -","- C56 H68 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.0391","0.0336","","","0.0962","0.1","","","","","","1.063","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516947","10.449","0.0005","19.1742","0.0007","10.5635","0.0005","90","","110.663","0.005","90","","1980.27","0.17","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N6 O2 -","- C19 H28 N6 O2 -","- C76 H112 N24 O8 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0666","0.0561","","","0.1531","0.1618","","","","","","1.069","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516948","18.9579","0.0011","15.4754","0.0009","20.0404","0.0012","90","","100.36","0.002","90","","5783.6","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cl2 N4 O5 S -","- C28 H28 Cl2 N4 O5 S -","- C224 H224 Cl16 N32 O40 S8 -","8","1","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.0772","0.0583","","","0.1475","0.1602","","","","","","1.038","","","","has coordinates","239645","2020-10-21","18:00:00",""
"4516949","14.3064","0.0009","15.1345","0.0009","27.9096","0.0017","96.495","0.002","92.025","0.002","110.64","0.002","5600.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 N4 O4.25 P -","- C27 H25 Cl2 N4 O4.25 P -","- C216 H200 Cl16 N32 O34 P8 -","8","4","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1775","0.0961","","","0.1638","0.1911","","","","","","1.113","","","","has coordinates","239646","2020-10-21","18:00:00",""
"4516950","14.7409","0.0006","15.8211","0.0006","16.2514","0.0007","71.928","0.001","63.041","0.001","70.747","0.002","3130.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 O7 -","- C33 H30 Cl2 N4 O7 -","- C132 H120 Cl8 N16 O28 -","4","2","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1442","0.0629","","","0.1157","0.1413","","","","","","1.01","","","","has coordinates","239647","2020-10-21","18:00:00",""
"4516954","13.091","0.0005","12.8548","0.0007","8.1538","0.0005","90","","94.208","0.004","90","","1368.44","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N O4 -","- C12 H16 Cl N O4 -","- C48 H64 Cl4 N4 O16 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Yu, Haifeng; Bi, Jingjing; Zhang, Guisheng","Tandem Oxidative α-Hydroxylation/β-Acetalization Reaction of β-Ketoamides and Its Applications.","ACS omega","2017","2","11","7746","7754","10.1021/acsomega.7b01526","","x-ray","1.54184","CuKα","","0.0606","0.0509","","","0.1413","0.1532","","","","","","1.043","","","","has coordinates","239649","2020-10-21","18:00:00",""
"4516955","8.0644","0.0009","9.4449","0.0011","10.2338","0.0012","107.774","0.001","104.803","0.002","106.592","0.002","659.32","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0643","0.0439","","","0.1008","0.1108","","","","","","1.041","","","","has coordinates","239650","2020-10-21","18:00:00",""
"4516956","5.3885","0.0005","14.607","0.0014","21","0.002","90","","90","","90","","1652.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0653","0.0587","","","0.1604","0.1683","","","","","","0.776","","","","has coordinates,has disorder","239651","2020-10-21","18:00:00",""