# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-22T00:35:56+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2017 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
"1543715","10.0233","0.0006","7.3836","0.0005","20.4729","0.0013","90","","93.2347","0.0019","90","","1512.75","0.17","296","0.2","296","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-propoxy-1,1'-biphenyl)gold(I) chloride","","- C16 H15 Au Cl N O -","- C16 H15 Au Cl N O -","- C64 H60 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0434","0.0401","","","0.1003","0.1029","","","","","","0.994","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543716","10.2724","0.0005","13.7308","0.0007","14.1704","0.0007","61.476","0.001","71","0.002","69.885","0.002","1617.15","0.14","296","0.2","296","0.2","","","","","","","","6","P -1","-P 1","2","","(4-Butoxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C17 H17 Au Cl N O -","- C17 H17 Au Cl N O -","- C68 H68 Au4 Cl4 N4 O4 -","4","2","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0461","0.036","","","0.1124","0.1207","","","","","","1.109","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543717","35.545","0.009","7.0033","0.0017","6.8729","0.0016","90","","92.118","0.005","90","","1709.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-pentyloxy-1,1'-biphenyl)gold(I) chloride","","- C18 H19 Au Cl N O -","- C18 H19 Au Cl N O -","- C72 H76 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0777","0.0531","","","0.1613","0.1811","","","","","","1.077","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543718","76.128","0.014","7.0364","0.0013","6.8648","0.0012","90","","91.305","0.004","90","","3676.3","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Hexyloxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C19 H21 Au Cl N O -","- C19 H21 Au Cl N O -","- C152 H168 Au8 Cl8 N8 O8 -","8","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.1637","0.0864","","","0.2309","0.2748","","","","","","1.076","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543719","78.931","0.009","7.0341","0.0008","6.8739","0.0008","90","","91.828","0.003","90","","3814.5","0.8","296","0.2","296","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Heptyloxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C20 H23 Au Cl N O -","- C20 H23 Au Cl N O -","- C160 H184 Au8 Cl8 N8 O8 -","8","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0795","0.046","","","0.1402","0.1693","","","","","","0.897","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543720","42.33","0.02","7.082","0.003","6.912","0.003","90","","91.738","0.009","90","","2071.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-octyloxy-1,1'-biphenyl)gold(I) chloride","","- C21 H25 Au Cl N O -","- C21 H25 Au Cl N O -","- C84 H100 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.1102","0.0727","","","0.1992","0.2207","","","","","","1.143","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543731","10.8613","0.0006","13.0319","0.0007","26.5818","0.0015","89.75","0.0009","82.163","0.0009","72.238","0.0009","3546.9","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","1,1-Dicyano-2-(4-pyrrolidinephenyl)ethylene","","- C14 H13 N3 -","- C14 H13 N3 -","- C168 H156 N36 -","12","6","","Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario","Structure-activity relationship for the solid state emission of a new family of ""push-pull""π-extended chromophores.","Faraday discussions","2017","196","","143","161","10.1039/c6fd00161k","","","0.71073","MoKα","","0.0872","0.0642","","","0.1649","0.1794","","","","","","1.071","","","","has coordinates,has disorder","193854","2020-10-21","18:00:00",""
"1543732","17.518","0.004","8.6661","0.0015","10.772","0.003","90","","110.164","0.005","90","","1535.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1-Dicyano-2,2-bis(4-dimethoxyphenyl)ethylene","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","0.5","","Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario","Structure-activity relationship for the solid state emission of a new family of ""push-pull""π-extended chromophores.","Faraday discussions","2017","196","","143","161","10.1039/c6fd00161k","","","0.71073","MoKα","","0.0882","0.0491","","","0.1127","0.1323","","","","","","1.007","","","","has coordinates","193854","2020-10-21","18:00:00",""
"1543746","6.3523","0.0002","8.0207","0.0002","16.3894","0.0004","92.3795","0.0018","95.9413","0.0018","110.114","0.0017","777.24","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","1","0.5","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.074","0.0605","","","0.1701","0.1826","","","","","","1.046","","","","has coordinates,has disorder","193858","2020-10-21","18:00:00",""
"1543747","18.8131","0.0003","11.1794","0.0002","26.4236","0.0005","90","","93.0441","0.0006","90","","5549.55","0.17","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 B2 N4 O6 Te -","- C50 H92 B2 N4 O6 Te -","- C200 H368 B8 N16 O24 Te4 -","4","0.5","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.0214","0.0212","","","0.0559","0.056","","","","","","1.089","","","","has coordinates","193858","2020-10-21","18:00:00",""
"1543748","10.3086","0.0002","15.0795","0.0003","21.3795","0.0004","90","","93.2679","0.0007","90","","3318.01","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 B2 N2 O4 Te -","- C31 H52 B2 N2 O4 Te -","- C124 H208 B8 N8 O16 Te4 -","4","1","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.0266","0.0261","","","0.0665","0.0668","","","","","","1.062","","","","has coordinates","193858","2020-10-21","18:00:00",""
"1543754","46.53","0.009","6.7629","0.0014","7.2639","0.0015","90","","97.22","0.03","90","","2267.7","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(2Z, 2'Z)-3,3'-(1,4-phenylene)bis(2-(naphthalen-2-yl) acrylonitrile","PBNA","","- C32 H20 N2 -","- C32 H20 N2 -","- C128 H80 N8 -","4","0.5","","Liu, Liqun; Wang, Kai; Deng, Jian; Zhang, Zhe; Wang, Yan; Ma, Yuguang","Restorable piezochromism phenomenon in an AIE molecular crystal: combined synchronous Raman scattering.","Faraday discussions","2017","196","","415","426","10.1039/c6fd00154h","","","0.71073","MoKα","","0.0868","0.0512","","","0.1285","0.143","","","","","","0.949","","","","has coordinates","193856","2020-10-21","18:00:00",""
"1543756","36.653","0.007","21.504","0.004","17.115","0.003","90","","98.833","0.007","90","","13330","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2Ni","","- C77 H77 Cl2.99 N6 Ni -","- C77.002 H77 Cl2.994 N6.002 Ni -","- C616.016 H616 Cl23.952 N48.016 Ni8 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0969","0.0768","","","0.226","0.2444","","","","","","1.047","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543757","21.181","0.007","10.751","0.004","29.482","0.01","90","","100.128","0.009","90","","6609","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3Ni","","- C84.5 H83 N5 Ni O -","- C84.5 H83 N5 Ni O -","- C338 H332 N20 Ni4 O4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0838","0.0714","","","0.1913","0.2075","","","","","","1.029","","","","has coordinates","196314","2020-10-21","18:00:00",""
"1543758","12.375","0.007","16.832","0.01","18.491","0.01","110.391","0.008","98.378","0.015","106.725","0.001","3325","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","6","","- C75 H77 Cl1.2 N5 Ni O1.3 -","- C75.001 H77.409 Cl1.227 N5 Ni O1.296 -","- C150.002 H154.818 Cl2.454 N10 Ni2 O2.592 -","2","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1029","0.0837","","","0.2257","0.2483","","","","","","1.092","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543759","18.141","0.003","20.0791","0.0019","20.299","0.002","62.0374","0.001","79.03","0.016","87.782","0.014","6400.6","1.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","8","","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C299 H295 Cl17 N20 Ni4 O4 -","4","2","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1256","0.0791","","","0.2204","0.2451","","","","","","1.045","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543760","57.941","0.006","57.941","0.006","10.6631","0.0012","90","","90","","90","","35798","7","93","2","93","2","","","","","","","","7","I 41/a","-I 4ad","88","","[8]+","","- C87 H101 Cl10 N5 Ni O Sb -","- C87 H101 Cl10 N5 Ni O Sb -","- C1392 H1616 Cl160 N80 Ni16 O16 Sb16 -","16","","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1022","0.0992","","","0.2675","0.2692","","","","","","1.079","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543761","72.72","0.009","13.4081","0.0016","33.152","0.004","90","","102.869","0.004","90","","31512","7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","9","","- C165 H150 Cl19 N10 Ni2 O5 -","- C165 H150 Cl19 N10 Ni2 O5 -","- C1320 H1200 Cl152 N80 Ni16 O40 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1197","0.0996","","","0.264","0.28","","","","","","1.064","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543762","27.888","0.011","9.758","0.003","29.846","0.011","90","","113.508","0.006","90","","7448","5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[9]+","","- C74.5 H76 Cl9 N5 Ni Sb -","- C74.5 H76 Cl9 N5 Ni Sb -","- C298 H304 Cl36 N20 Ni4 Sb4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1312","0.0826","","","0.213","0.2363","","","","","","1.004","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543770","14.343","0.005","14.782","0.005","18.878","0.005","102.538","0.005","103.764","0.005","97.046","0.005","3730","2","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H79.5 F12 N8.5 O5 P2 Zn -","- C74 H73.5 F12 N8.5 O5 P2 Zn -","- C148 H147 F24 N17 O10 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.0941","0.0797","","","0.2223","0.2472","","","","","","1.034","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543771","13.732","0.005","15.892","0.005","19.26","0.005","103.178","0.005","90.598","0.005","91.07","0.005","4091","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C170 H151 F24 N21 O8 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1523","0.0847","","","0.2259","0.2587","","","","","","1.005","","","","has coordinates","196313","2020-10-21","18:00:00",""
"1543772","5.559","0.005","11.24","0.005","13.638","0.005","75.767","0.005","83.93","0.005","81.445","0.005","814.7","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","1","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1104","0.0661","","","0.157","0.1861","","","","","","1.042","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543854","14.17","0.0007","14.2848","0.0007","25.4039","0.0012","90","","95.518","0.002","90","","5118.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Gd2 K N4 Si8 -","- C31 H79 Gd2 K N4 Si8 -","- C124 H316 Gd8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0544","0.033","","","0.0626","0.0725","","","","","","1.055","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543855","14.1259","0.0004","14.2954","0.0004","25.2343","0.0006","90","","95.2741","0.0013","90","","5074.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Dy2 K N4 Si8 -","- C31 H79 Dy2 K N4 Si8 -","- C124 H316 Dy8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0424","0.0299","","","0.0642","0.0693","","","","","","1.019","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543856","14.0946","0.0007","14.2965","0.0008","25.1055","0.0013","90","","95.17","0.003","90","","5038.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Er2 K N4 Si8 -","- C31 H79 Er2 K N4 Si8 -","- C124 H316 Er8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0648","0.0443","","","0.112","0.1336","","","","","","1.063","","","","has coordinates","196320","2020-10-21","18:00:00",""
"1543857","20.1042","0.0007","18.7574","0.0006","16.5696","0.0006","90","","107.851","0.0017","90","","5947.6","0.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H95 Er2 K N4 O2 Si8 -","- C39 H95 Er2 K N4 O2 Si8 -","- C156 H380 Er8 K4 N16 O8 Si32 -","4","0.5","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0438","0.0384","","","0.1251","0.1325","","","","","","1.071","","","","has coordinates,has disorder","196320","2020-10-21","18:00:00",""
"1543879","8.6902","0.0017","13.87","0.003","17.377","0.004","90","","102.8","0.03","90","","2042.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4FI-1","BP4VA FI-1","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing","Construction and function of a highly efficient supramolecular luminescent system.","Faraday discussions","2017","196","","219","229","10.1039/c6fd00166a","","","0.71073","MoKα","","0.0646","0.0462","","","0.1237","0.1414","","","","","","1.035","","","","has coordinates","193855","2020-10-21","18:00:00",""
"1543880","5.142","0.001","12.724","0.003","16.436","0.003","109.15","0.03","96","0.03","93.79","0.03","1004.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4FI-2","BP4VA FI-2","","- C40 H20 F6 I6 N2 -","- C40 H20 F6 I6 N2 -","- C40 H20 F6 I6 N2 -","1","0.5","","Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing","Construction and function of a highly efficient supramolecular luminescent system.","Faraday discussions","2017","196","","219","229","10.1039/c6fd00166a","","","0.71073","MoKα","","0.0447","0.0354","","","0.0787","0.0815","","","","","","1.065","","","","has coordinates","193855","2020-10-21","18:00:00",""
"1543891","7.6555","0.0003","13.0617","0.0005","16.9622","0.0005","90","","96.793","0.003","90","","1684.21","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N O2 Rh -","- C18 H22 N O2 Rh -","- C72 H88 N4 O8 Rh4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.0451","0.0425","","","0.1095","0.1137","","","","","","1.028","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543892","7.3899","0.0001","13.5531","0.0002","32.123","0.002","90","","90","","90","","3217.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 O S2 -","- C20 H12 N2 O S2 -","- C160 H96 N16 O8 S16 -","8","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54187","CuKα","","0.1153","0.0684","","","0.1715","0.2246","","","","","","1.095","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543893","4.7941","0.0007","15.333","0.002","17.698","0.003","90","","90","","90","","1300.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chenying","cy-P3-NHAc-thiazole","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","0.71073","MoKα","","0.0895","0.0567","","","0.1193","0.1374","","","","","","1.042","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543894","4.6897","0.0007","12.449","0.003","15.119","0.004","109.35","0.02","96.794","0.016","99.101","0.016","808.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","cy-hybrid-P2","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C42 H28 N4 O4 S2 -","2","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.1509","0.1127","","","0.2996","0.3289","","","","","","1.188","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543895","10.531","0.0011","15.6321","0.0015","13.7351","0.0018","90","","94.071","0.01","90","","2255.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","2","","Gupta, Vinod Kumar; Singh, Ram Adhar","Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study.","Faraday discussions","2017","196","","131","142","10.1039/c6fd00158k","","","0.71073","MoKα","","0.1469","0.0818","","","0.2164","0.2624","","","","","","0.981","","","","has coordinates","193859","2020-10-21","18:00:00",""
"1543896","3.9225","0.0003","10.7762","0.0009","23.142","0.002","90","","93.453","0.007","90","","976.43","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study.","Faraday discussions","2017","196","","131","142","10.1039/c6fd00158k","","","0.71073","MoKα","","0.0796","0.0466","","","0.1021","0.1223","","","","","","1.036","","","","has coordinates","193859","2020-10-21","18:00:00",""
"1543908","40.091","0.005","7.8348","0.0009","16.111","0.002","90","","113.26","0.008","90","","4649.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C208 H256 N16 O16 -","8","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0668","0.044","","","0.1183","0.1357","","","","","","1.018","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543909","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543910","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543911","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543912","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543913","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543914","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543915","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543941","10.9852","0.0007","20.5331","0.0014","19.4487","0.0013","90","","91.193","0.006","90","","4385.9","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H14 O2 -","- C82 H14 O2 -","- C328 H56 O8 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1649","0.1491","","","0.3966","0.4125","","","","","","1.079","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543942","26.123","0.004","26.123","0.004","14.146","0.002","90","","90","","90","","9653","2","93","2","93","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C88 H24 O4 -","- C88 H24 O4 -","- C704 H192 O32 -","8","0.5","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1284","0.1177","","","0.4081","0.4472","","","","","","1.077","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543943","10.147","0.0016","23.719","0.004","21.227","0.004","90","","102.193","0.002","90","","4993.6","1.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C91 H31 O4 -","- C91 H31 O4 -","- C364 H124 O16 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","0.7107","MoKα","","0.072","0.0616","","","0.153","0.1624","","","","","","1.056","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543947","10.5808","0.0004","13.0767","0.0005","14.3976","0.0006","93.447","0.003","106.228","0.004","97.527","0.003","1886.41","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","1","Ir1","","- C37 H28 Cl2 F10 Ir N4 O P -","- C37 H28 Cl2 F10 Ir N4 O P -","- C74 H56 Cl4 F20 Ir2 N8 O2 P2 -","2","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.0377","0.0318","","","0.0731","0.0774","","","","","","1.064","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543948","9.3965","0.0001","39.4086","0.0006","9.8195","0.0002","90","","104.761","0.002","90","","3516.18","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C140 H104 Cl8 F40 Ir4 N16 O8 P4 -","4","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","0.71073","MoKα","","0.0325","0.0264","","","0.0459","0.0476","","","","","","1.136","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543949","39.1832","0.0011","9.6185","0.0002","19.2745","0.0005","90","","109.894","0.002","90","","6830.7","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C272 H220 F24 Ir8 N32 O16 P4 -","8","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.044","0.0369","","","0.0953","0.1039","","","","","","1.02","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1544001","15.505","0.0005","34.4906","0.001","17.2521","0.0005","90","","112.99","0.0017","90","","8493.2","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H70 O -","- C88 H70 O -","- C352 H280 O4 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1182","0.0843","","","0.2088","0.2232","","","","","","1.09","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544002","7.5395","0.0005","34.5192","0.0018","11.7823","0.0006","90","","100.084","0.003","90","","3019.1","0.3","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H28 O5 -","- C47 H28 O5 -","- C188 H112 O20 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1218","0.0613","","","0.1171","0.1404","","","","","","1.017","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544003","11.664","0.002","12.471","0.002","13.809","0.003","116.004","0.015","114.439","0.013","91.219","0.014","1592.4","0.6","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H22 Cl2 O5 -","- C45 H24 O5 -","- C90 H48 O10 -","2","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1575","0.0718","","","0.154","0.1814","","","","","","0.925","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544004","13.1702","0.0008","17.3964","0.0012","17.5084","0.0011","63.486","0.005","70.365","0.004","81.999","0.004","3380.5","0.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 O5 -","- C47 H26 O5 -","- C188 H104 O20 -","4","2","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1842","0.0779","","","0.1537","0.1873","","","","","","0.849","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544005","6.5174","0.0004","9.8469","0.0005","10.3476","0.0005","113.309","0.005","95.997","0.005","104.217","0.005","575.83","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C2.545 H1.636 N0.364 O0.182 -","- C2.54545 H1.63636 N0.363636 O0.181818 -","- C28 H18 N4 O2 -","11","5.5","","Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong","Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission.","Chemical science","2017","8","1","577","582","10.1039/c6sc02875f","","","1.54184","CuKα","","0.0455","0.0418","","","0.1135","0.1177","","","","","","1.0717","","","","has coordinates","196312","2020-10-21","18:00:00",""
"1544006","16.7564","0.0006","15.4421","0.0006","21.3159","0.0008","90","","96.792","0.0015","90","","5476.9","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{Na(12-C-4)2}{(PNP)NiCOO}","","","- C51 H88 N Na Ni O14 P2 -","- C51 H88 N Na Ni O14 P2 -","- C204 H352 N4 Na4 Ni4 O56 P8 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1158","0.0585","","","0.1334","0.1566","","","","","","1.025","","","","has coordinates,has disorder","191539","2020-10-21","18:00:00",""
"1544007","10.1896","0.0005","26.231","0.0013","20.6309","0.001","90","","100.088","0.0017","90","","5429.1","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(PNP)NiCOOFe(PNP)","","","- C53 H80 Fe N2 Ni O2 P4 -","- C53 H80 Fe N2 Ni O2 P4 -","- C212 H320 Fe4 N8 Ni4 O8 P16 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1049","0.0527","","","0.1016","0.1093","","","","","","1.307","","","","has coordinates","191539","2020-10-21","18:00:00",""
"1544031","38.3207","0.0002","38.3207","0.0002","38.3207","0.00002","90","","90","","90","","56273","0.4","173","2","173","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C576 H288 Cl12 Hf48 Ir12 N48 O256 -","4","0.0416667","","Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong","Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity.","Chemical science","2017","8","1","775","780","10.1039/c6sc03288e","","","1.54184","CuKα","","0.1011","0.0991","","","0.2464","0.2476","","","","","","1.017","","","","has coordinates","196316","2020-10-21","18:00:00",""
"1544032","5.5352","0.0001","13.7138","0.0002","17.7912","0.0003","68.191","0.001","82.836","0.001","80.889","0.001","1234.83","0.04","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","4H4TIDIDF","","- C27 H32 F N S2 -","- C27 H32 F N S2 -","- C54 H64 F2 N2 S4 -","2","1","","Cho, Illhun; Jeon, Nam Joong; Kwon, Oh Kyu; Kim, Dong Won; Jung, Eui Hyuk; Noh, Jun Hong; Seo, Jangwon; Seok, Sang Il; Park, Soo Young","Indolo[3,2-b]indole-based crystalline hole-transporting material for highly efficient perovskite solar cells.","Chemical science","2017","8","1","734","741","10.1039/c6sc02832b","","","0.71073","MoKα","","0.1261","0.0756","","","0.244","0.2884","","","","","","1.084","","","","has coordinates","196317","2020-10-21","18:00:00",""
"1544138","6.003","0.006","14.84","0.03","28.93","0.03","90","","90","","90","","2577","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Marek99 (Zack)","Benzyl (S)-4-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)-4-methyl-2-methyleneoctanoate","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C112 H132 N4 O20 -","4","1","","Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan","Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres.","Chemical science","2017","8","1","627","630","10.1039/c6sc03036j","","","0.71073","MoKα","","0.0611","0.046","","","0.1174","0.1403","","","","","","1.07","","","","has coordinates","196318","2020-10-21","18:00:00",""
"1544149","10.1634","0.0002","14.7985","0.0003","17.1628","0.0004","96.74","0.001","97.62","0.001","105.399","0.001","2435.05","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H43 B2 Cl2 F20 P -","- C47 H43 B2 Cl2 F20 P -","- C94 H86 B4 Cl4 F40 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.09","0.0653","","","0.1233","0.1407","","","","","","1.081","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544150","13.061","0.002","22.03","0.004","18.545","0.004","90","","91.787","0.007","90","","5333.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 B2 Cl2 F20 O2 P -","- C48 H41 B2 Cl2 F20 O2 P -","- C192 H164 B8 Cl8 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.0796","0.0604","","","0.1473","0.1585","","","","","","1.065","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544151","16.4031","0.0016","6.7783","0.0006","25.0981","0.0019","90","","98.45","0.005","90","","2760.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.1257","0.0595","","","0.1248","0.1564","","","","","","0.977","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544152","10.7742","0.0005","9.7124","0.0004","26.4759","0.0011","90","","97.347","0.001","90","","2747.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0493","0.0359","","","0.0817","0.0885","","","","","","1.044","","","","has coordinates","196357","2020-10-21","18:00:00",""
"1544153","13.0097","0.0005","21.1601","0.0009","17.7134","0.0007","90","","110.035","0.001","90","","4581.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 B2 Cl2 F20 P -","- C42 H39 B2 Cl2 F20 P -","- C168 H156 B8 Cl8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0745","0.0641","","","0.1575","0.1641","","","","","","1.059","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544154","12.8848","0.0007","21.515","0.001","17.7497","0.0008","90","","109.796","0.001","90","","4629.7","0.4","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 B2 F20 P -","- C41 H37 B2 F20 P -","- C164 H148 B8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0876","0.0589","","","0.1431","0.155","","","","","","1.047","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544155","12.8388","0.0005","20.0253","0.0006","18.7529","0.0006","90","","97.393","0.001","90","","4781.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 B2 Cl4 F20 O2 P -","- C44 H39 B2 Cl4 F20 O2 P -","- C176 H156 B8 Cl16 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0572","0.0422","","","0.0985","0.1067","","","","","","1.053","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544156","10.0179","0.0003","11.2774","0.0005","19.6359","0.0011","89.016","0.003","87.552","0.003","73.104","0.002","2120.66","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 B2 F20 O2 P -","- C42 H35 B2 F20 O2 P -","- C84 H70 B4 F40 O4 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.2388","0.1348","","","0.2279","0.2746","","","","","","1.086","","","","has coordinates","196357","2020-10-21","18:00:00",""
"1544158","12.469","0.003","17.723","0.004","15.596","0.004","90","","112.991","0.004","90","","3172.8","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F4 I N4 O -","- C34 H33 F4 I N4 O -","- C136 H132 F16 I4 N16 O4 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0589","0.0507","","","0.1227","0.1254","","","","","","0.954","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544159","8.4431","0.0006","11.7892","0.0012","31.416","0.003","90","","90","","90","","3127.1","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 F4 I N3 O2 -","- C32 H34 F4 I N3 O2 -","- C128 H136 F16 I4 N12 O8 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0265","0.0245","","","0.0624","0.0634","","","","","","1.046","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544160","20.258","0.003","13.9884","0.0013","26.734","0.004","90","","103.187","0.01","90","","7376","1.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H42 F4 I N5 O -","- C37 H42 F4 I N5 O -","- C296 H336 F32 I8 N40 O8 -","8","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0695","0.0387","","","0.0761","0.0882","","","","","","1.028","","","","has coordinates,has disorder","191516","2020-10-21","18:00:00",""
"1544161","25.213","0.007","13.978","0.003","27.637","0.007","90","","112.879","0.004","90","","8974","4","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 F4 I N3 O -","- C29 H28 F4 I N3 O -","- C348 H336 F48 I12 N36 O12 -","12","3","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.1938","0.1077","","","0.2707","0.3145","","","","","","1.043","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544162","29.2891","0.0019","29.2891","0.0019","18.1917","0.0013","90","","90","","90","","15605.8","1.8","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C29 H34 N2 O6 S -","- C29 H34 N2 O6 S -","- C464 H544 N32 O96 S16 -","16","","","Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B.","Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry.","Chemical science","2017","8","1","697","700","10.1039/c6sc03578g","","","1.54178","CuKα","","0.1707","0.069","","","0.1637","0.219","","","","","","1.014","","","","has coordinates","196321","2020-10-21","18:00:00",""
"1544182","28.1117","0.0011","20.1279","0.0006","22.8674","0.001","90","","105.985","0.003","90","","12438.7","0.8","180.15","","180.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H192 Dy4 N12 O24 -","- C105 H192 Dy4 N12 O24 -","- C420 H768 Dy16 N48 O96 -","4","0.5","","Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario","Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet.","Chemical science","2017","8","2","1178","1185","10.1039/c6sc03184f","","x-ray","0.71073","MoKα","","0.0922","0.0723","","","0.187","0.2095","","","","","","1.002","","","","has coordinates,has disorder","196351","2020-10-21","18:00:00",""
"1544183","30.5846","0.0016","15.6055","0.0008","25.1965","0.0013","90","","129.98","0.002","90","","9215.1","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H136 N6 P4 Ti2 -","- C100 H136 N6 P4 Ti2 -","- C400 H544 N24 P16 Ti8 -","4","0.5","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.1055","0.0646","","","0.1376","0.1563","","","","","","1.055","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544184","18.5929","0.0008","12.9042","0.0005","22.7421","0.0014","90","","98.499","0.002","90","","5396.5","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C110 H176 N6 P6 Ti2 -","- C110 H176 N6 P6 Ti2 -","- C220 H352 N12 P12 Ti4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0748","0.0662","","","0.1786","0.189","","","","","","1.058","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544185","30.336","0.002","12.1037","0.001","29.271","0.002","90","","118.588","0.004","90","","9437.3","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H71 N3 P2 Si Ti -","- C47 H71 N3 P2 Si Ti -","- C376 H568 N24 P16 Si8 Ti8 -","8","2","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0637","0.0506","","","0.1214","0.1276","","","","","","1.127","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544186","15.3708","0.001","12.8618","0.0008","23.2563","0.0015","90","","92.737","0.004","90","","4592.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72.8 N3 O P2 Ti -","- C44 H62.8 N3 P2 Ti -","- C176 H251.2 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0565","0.0418","","","0.0951","0.102","","","","","","1.037","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544187","13.5295","0.0004","19.597","0.0006","16.8163","0.0005","90","","111.694","0.002","90","","4142.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N2 O P2 Ti -","- C44 H62 N2 O P2 Ti -","- C176 H248 N8 O4 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0881","0.0582","","","0.1332","0.1504","","","","","","1.036","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544188","12.7371","0.0006","14.7015","0.0007","26.1005","0.0012","90","","90","","90","","4887.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H77 N3 P2 Ti -","- C50 H77 N3 P2 Ti -","- C200 H308 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0647","0.0589","","","0.1456","0.1483","","","","","","1.142","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544196","8.5035","0.0002","7.1303","0.0002","23.6793","0.0006","90","","95.742","0.0012","90","","1428.53","0.06","100","2","99.77","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Semakul, Natthawat; Jackson, Kelvin E.; Paton, Robert S.; Rovis, Tomislav","Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation.","Chemical science","2017","8","2","1015","1020","10.1039/c6sc02587k","","","0.71073","MoKα","","0.135","0.0685","","","0.1558","0.1811","","","","","","1.033","","","","has coordinates","196355","2020-10-21","18:00:00",""
"1544197","9.1646","0.0003","10.8129","0.0004","17.358","0.0008","86.495","0.006","85.651","0.006","84.191","0.006","1703.87","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 B2 F8 N5 O Pd -","- C34 H33 B2 F8 N5 O Pd -","- C68 H66 B4 F16 N10 O2 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1223","0.0954","","","0.2392","0.2774","","","","","","1.047","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544198","8.88787","0.00016","10.65997","0.00019","12.1038","0.0002","101.284","0.007","100.453","0.007","102.182","0.007","1069.19","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","1","0.5","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0617","0.0541","","","0.1382","0.1453","","","","","","1.15","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544199","13.2547","0.0002","14.2678","0.0003","15.5271","0.0003","95.506","0.007","93.223","0.007","105.522","0.007","2805.98","0.14","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H55 B2 F8 N6 O2 Pd -","- C60 H55 B2 F8 N6 O2 Pd -","- C120 H110 B4 F16 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.111","0.0858","","","0.2357","0.2542","","","","","","1.112","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544200","11.3565","0.0002","11.5389","0.0002","15.0221","0.0003","90","","107.367","0.008","90","","1878.78","0.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0636","0.0575","","","0.1571","0.1613","","","","","","1.071","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544201","12.2208","0.0005","12.9781","0.0004","15.6515","0.0003","90.05","0.002","96.32","0.002","117.495","0.003","2184.84","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F N3 O -","- C27 H20 F N3 O -","- C108 H80 F4 N12 O4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0398","0.0358","","","0.0996","0.102","","","","","","1.058","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544202","18.8592","0.0004","7.68843","0.00016","18.4442","0.0003","90","","114.263","0.008","90","","2438.14","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1009","0.055","","","0.1637","0.1747","","","","","","1.047","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544203","10.7056","0.0003","16.7664","0.0004","18.6108","0.0005","97.072","0.007","99.663","0.007","102.242","0.007","3174.3","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 F2 N6 O2 Pd -","- C54 H40 F2 N6 O2 Pd -","- C108 H80 F4 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0797","0.0659","","","0.1948","0.2041","","","","","","1.117","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544204","15.7265","0.0003","20.4033","0.0004","21.0479","0.0003","82.8458","0.0015","82.6021","0.0016","69.0081","0.0018","6230.5","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C228 H166 F32 N26 O32 S8 Zn4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","0.71073","MoKα","","0.0818","0.0721","","","0.1973","0.2052","","","","","","1.02","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544205","13.283","0.002","13.585","0.002","7.6811","0.0013","90","","90","","90","","1386.1","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0417","0.038","","","0.0873","0.0897","","","","","","1.091","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544206","10.4599","0.0018","13.687","0.002","10.111","0.0017","90","","116.27","0.003","90","","1298","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Au I2 N -","- C13 H8 Au I2 N -","- C52 H32 Au4 I8 N4 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0401","0.0341","","","0.0849","0.0878","","","","","","1.067","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544207","14.26","0.009","20.667","0.013","14.033","0.009","90","","104.38","0.01","90","","4006","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Au F6 I N2 Sb -","- C18 H13 Au F6 I N2 Sb -","- C144 H104 Au8 F48 I8 N16 Sb8 -","8","2","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0875","0.0598","","","0.1414","0.1587","","","","","","1.044","","","","has coordinates,has disorder","191524","2020-10-21","18:00:00",""
"1544209","10.6057","0.0011","13.3692","0.0018","14.5882","0.0017","80.422","0.01","78.548","0.011","70.256","0.009","1897","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","1","0.5","","Park, In Seob; Komiyama, Hideaki; Yasuda, Takuma","Pyrimidine-based twisted donor-acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence.","Chemical science","2017","8","2","953","960","10.1039/c6sc03793c","","","0.71075","MoKα","","0.0927","0.0731","","","0.1727","0.1862","","","","","","1.071","","","","has coordinates","196347","2020-10-21","18:00:00",""
"1544210","10.857","0.002","15.141","0.003","17.359","0.003","108.566","0.004","96.63","0.004","96.91","0.004","2649.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H22 F14 N2 Na O7 -","- C42 H22 F14 N2 Na O7 -","- C84 H44 F28 N4 Na2 O14 -","2","1","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.1361","0.0695","","","0.1813","0.2064","","","","","","0.872","","","","has coordinates,has disorder","191515","2020-10-21","18:00:00",""
"1544211","7.5465","0.0013","7.9565","0.0014","22.733","0.004","84.375","0.004","89.317","0.004","72.275","0.004","1293.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H5 F6 N O2 -","- C14 H5 F6 N O2 -","- C56 H20 F24 N4 O8 -","4","2","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.0942","0.0673","","","0.1822","0.2054","","","","","","1.035","","","","has coordinates,has disorder","191515","2020-10-21","18:00:00",""
"1544221","12.6607","0.0006","15.4354","0.0007","16.1838","0.0009","101.482","0.003","112.975","0.002","93.732","0.002","2817.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","PyrCu(II)-nitrophenoxide","","- C57 H87 Cu N5 O6 -","- C57 H87 Cu N5 O6 -","- C114 H174 Cu2 N10 O12 -","2","1","","Dhar, Debanjan; Yee, Gereon M.; Markle, Todd F.; Mayer, James M.; Tolman, William B.","Reactivity of the copper(iii)-hydroxide unit with phenols","Chem. Sci.","2017","8","2","1075","","10.1039/C6SC03039D","","","1.54178","CuKα","","0.0478","0.0408","","","0.0983","0.1036","","","","","","1.025","","","","has coordinates","191504","2020-10-21","18:00:00",""
"1544232","6.848","0.0001","20.4301","0.0003","17.057","0.0002","90","","90.304","0.0011","90","","2386.33","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F3 N3 O4 S2 -","- C25 H20 F3 N3 O4 S2 -","- C100 H80 F12 N12 O16 S8 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0326","0.0313","","0.0824","0.0812","0.0824","","","","","","0.9995","","","","has coordinates","196345","2020-10-21","18:00:00",""
"1544233","7.4653","0.0002","9.9343","0.0004","17.6618","0.0005","89.239","0.003","85.681","0.002","72.865","0.003","1248.09","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F3 N3 O4 S2 -","- C26 H22 F3 N3 O4 S2 -","- C52 H44 F6 N6 O8 S4 -","2","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0363","0.0358","","0.0978","0.097","0.0978","","","","","","1.0039","","","","has coordinates","196345","2020-10-21","18:00:00",""
"1544234","15.2695","0.0004","5.9545","0.0002","19.0281","0.0007","90","","91.54","0.003","90","","1729.45","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.1033","0.0976","","0.2648","0.258","0.2648","","","","","","0.9831","","","","has coordinates,has disorder","196345","2020-10-21","18:00:00",""
"1544235","6.05221","0.00008","17.0223","0.0003","19.5981","0.0003","90","","90","","90","","2019.05","0.05","217.05","0.1","217.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0546","0.0524","","","0.1425","0.147","","","","","","1.045","","","","has coordinates","196344","2020-10-21","18:00:00",""
"1544236","9.20362","0.00017","10.9688","0.0003","19.3712","0.0004","90","","100.345","0.002","90","","1923.79","0.08","295.1","0.5","295.1","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","2","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0558","0.0532","","","0.1488","0.1523","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544237","19.3566","0.0003","15.6297","0.0002","20.726","0.0003","90","","90","","90","","6270.4","0.16","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Dy2 O8 -","- C64 H102 Dy2 O8 -","- C256 H408 Dy8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0385","0.0252","","","0.0539","0.0616","","","","","","1.142","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544238","19.3525","0.0005","15.6285","0.0003","20.6896","0.0005","90","","90","","90","","6257.6","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 O8 Y2 -","- C64 H102 O8 Y2 -","- C256 H408 O32 Y8 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0696","0.0373","","","0.0735","0.0831","","","","","","1.026","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544239","19.3419","0.0003","15.68151","0.00018","20.772","0.0003","90","","90","","90","","6300.36","0.15","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Gd2 O8 -","- C64 H102 Gd2 O8 -","- C256 H408 Gd8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0373","0.0237","","","0.0471","0.0535","","","","","","1.138","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544247","14.7815","0.0005","9.0701","0.0003","21.2106","0.0008","90","","106.718","0.004","90","","2723.5","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOFTPE3N","","","- C26 H17 N3 O6 -","- C26 H17 N3 O6 -","- C104 H68 N12 O24 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0707","0.0572","","","0.1601","0.1729","","","","","","1.073","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544248","19.9155","0.0002","19.9155","0.0002","13.4286","0.0002","90","","90","","90","","5326.15","0.11","173","2","173","2","","","","","","","","4","P 42/n","-P 4bc","86","HOFTPE4N","","","- C26 H16 N4 O8 -","- C26 H16 N4 O8 -","- C208 H128 N32 O64 -","8","","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54178","CuKα","","0.0644","0.0528","","","0.147","0.1594","","","","","","1.06","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544249","10.52308","0.00018","8.79827","0.00018","22.9441","0.0004","90","","95.4899","0.0016","90","","2114.53","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O4 -","- C26 H18 N2 O4 -","- C104 H72 N8 O16 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0458","0.0411","","","0.1123","0.1161","","","","","","1.063","","","","has coordinates","191501","2020-10-21","18:00:00",""
"1544257","23.272","0.004","9.7485","0.0017","37.173","0.006","90","","94.149","0.002","90","","8411","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Na O6 Si4 -","- C37 H59 Na O6 Si4 -","- C296 H472 Na8 O48 Si32 -","8","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0779","0.0465","","","0.1045","0.1178","","","","","","1.035","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544258","9.531","0.005","17.403","0.008","15.039","0.007","90","","90.873","0.006","90","","2494","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H39 Li O6 Si3 -","- C16 H39 Li O6 Si3 -","- C64 H156 Li4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.2205","0.0762","","","0.1172","0.1585","","","","","","0.949","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544259","15.729","0.002","9.9209","0.0013","17.212","0.002","90","","90.3515","0.0014","90","","2685.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H39 Ge Na O6 Si3 -","- C15 H39 Ge Na O6 Si3 -","- C60 H156 Ge4 Na4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0369","0.0266","","","0.0645","0.0682","","","","","","1.035","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544260","8.141","0.002","19.245","0.006","16.727","0.005","90","","90.528","0.004","90","","2620.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H39 Ge K O6 Si3 -","- C15 H39 Ge K O6 Si3 -","- C60 H156 Ge4 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1094","0.096","","","0.2123","0.2175","","","","","","1.279","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544261","8.698","0.006","18.417","0.012","16.289","0.011","90","","90.2","0.01","90","","2609","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 K O6 Si3 -","- C16 H39 K O6 Si3 -","- C64 H156 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1153","0.0699","","","0.1627","0.1863","","","","","","0.936","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544262","5.2167","0.0007","10.4562","0.0012","18.815","0.003","90","","90","","90","","1026.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian","Rh(iii)-catalyzed double C‒H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis","Chem. Sci.","2017","8","2","1303","","10.1039/C6SC03888C","","","0.71073","MoKα","","0.0379","0.035","","","0.0828","0.0838","","","","","","1.146","","","","has coordinates","191528","2020-10-21","18:00:00",""
"1544263","14.5175","0.0002","14.5175","0.0002","14.5175","0.0002","90","","90","","90","","3059.68","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Er V2 -","- Al20 Er V2 -","- Al160 Er8 V16 -","8","0.0416667","","Winiarski, M.J.; Klimczuk, T.","Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound","Journal of Solid State Chemistry","2017","245","","10","16","10.1016/j.jssc.2016.09.029","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","187228","2020-10-21","18:00:00",""
"1544277","10.0682","0.0002","13.5159","0.0002","14.7514","0.0002","90","","92.352","0.001","90","","2005.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 I O P2 -","- C17 H31 I O P2 -","- C68 H124 I4 O4 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0465","0.0395","","","0.1013","0.1071","","","","","","1.078","","","","has coordinates,has disorder","191523","2020-10-21","18:00:00",""
"1544278","8.4848","0.0002","12.9532","0.0003","14.0671","0.0003","90","","105.04","0.001","90","","1493.09","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 P2 -","- C14 H26 P2 -","- C56 H104 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0421","0.0381","","","0.1018","0.1067","","","","","","1.074","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544279","23.5655","0.0016","10.2998","0.0007","20.9628","0.0014","90","","98.051","0.002","90","","5037.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl6 I2 P2 -","- C14 H22 Cl6 I2 P2 -","- C112 H176 Cl48 I16 P16 -","8","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.0248","0.0204","","","0.0482","0.0503","","","","","","1.046","","","","has coordinates,has disorder","191523","2020-10-21","18:00:00",""
"1544280","9.6408","0.0009","12.6202","0.0012","22.256","0.002","90","","90","","90","","2707.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 Ni O2 P2 -","- C27 H46 Ni O2 P2 -","- C108 H184 Ni4 O8 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.061","0.0477","","","0.1111","0.1182","","","","","","1.01","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544285","9.3816","0.0004","6.7781","0.0003","16.9307","0.0006","90","","99.5145","0.0011","90","","1061.8","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens","A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases.","Chemical science","2017","8","2","1337","1343","10.1039/c6sc03482a","","","0.71073","MoKα","","0.0617","0.047","","","0.1287","0.1397","","","","","","1.044","","","","has coordinates","196349","2020-10-21","18:00:00",""
"1544287","10.4706","0.0012","22.65","0.003","19.939","0.002","90","","98.7248","0.0016","90","","4674","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 P3 Rh -","- C50 H86 P3 Rh -","- C200 H344 P12 Rh4 -","4","1","","Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu","Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide","Chem. Sci.","2017","8","2","1454","","10.1039/C6SC03838G","","","0.71075","MoKα","","0.0693","0.0567","","","0.1364","0.1462","","","","","","1.074","","","","has coordinates","191514","2020-10-21","18:00:00",""
"1544314","8.4616","0.0004","11.5086","0.0005","12.4957","0.0006","83.427","0.001","77.321","0.001","83.71","0.001","1174.89","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","BzPPh(O)-DTE","","- C26 H23 O P S2 -","- C26 H23 O P S2 -","- C52 H46 O2 P2 S4 -","2","1","","Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle","Chem. Sci.","2017","8","2","1309","","10.1039/C6SC02928K","","","0.71073","MoKα","","0.0557","0.0443","","","0.1143","0.1232","","","","","","1.025","","","","has coordinates","191511","2020-10-21","18:00:00",""
"1544315","5.7992","0.0005","11.4342","0.0009","24.017","0.002","90","","90","","90","","1592.5","0.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0496","0.0428","","0.0542","0.0511","0.0498","","","","","","1.0725","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544316","9.7138","0.0005","9.7138","0.0005","33.882","0.002","90","","90","","120","","2768.7","0.3","123","","123","","","","","","","","","5","P 32","P 32","145","","","","- C22 H21 Fe N O3 -","- C22 H21 Fe N O3 -","- C132 H126 Fe6 N6 O18 -","6","2","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0399","0.0357","","0.0444","0.0391","0.0402","","","","","","1.075","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544356","9.091","0.0003","18.1061","0.0007","20.6924","0.0007","90","","90","","90","","3406","0.2","110","2","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Br N O5 Si -","- C33 H46 Br N O5 Si -","- C132 H184 Br4 N4 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Stereodivergent, Diels‒Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application","Chem. Sci.","2017","8","2","1511","","10.1039/C6SC04273B","","","1.54178","CuKα","","0.0423","0.0328","","","0.0707","0.0774","","","","","","1.126","","","","has coordinates","191510","2020-10-21","18:00:00",""
"1544357","8.8396","0.0003","17.5572","0.0007","11.6494","0.0004","90","","94.347","0.002","90","","1802.77","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain","Highly enantioselective metallation‒substitution alpha to a chiral nitrile","Chem. Sci.","2017","8","2","1436","","10.1039/C6SC03712G","","","1.54178","CuKα","","0.1283","0.0825","","","0.2026","0.2326","","","","","","1.022","","","","has coordinates","191521","2020-10-21","18:00:00",""
"1544369","11.727","0.002","11.727","","20.29","0.003","90","","90","","120","","2416.5","0.5","127","2","127","2","","","","","","","","8","P -3","-P 3","147","","","","- C60 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","1","0.166667","","Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe","Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems","Chem. Sci.","2017","8","3","1801","","10.1039/C6SC04478F","","","0.71073","MoKα","","0.0419","0.0337","","","0.0887","0.0903","","","","","","1.099","","","","has coordinates,has disorder","193741","2020-10-21","18:00:00",""
"1544385","35.1845","0.0011","14.8561","0.0002","31.0855","0.0008","90","","101.739","0.003","90","","15908.7","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 -","- C114.69 H129.66 Br0.465 Cl3.141 I12 N24 O0.93 Zn6 -","- C458.76 H518.64 Br1.86 Cl12.564 I48 N96 O3.72 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","x-ray","1.54184","CuKα","","0.0762","0.0542","","","0.165","0.1894","","","","","","1.027","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544386","35.2593","0.0005","14.8434","0.0001","31.0697","0.0004","90","","101.611","0.001","90","","15928.1","0.3","93","2","93","2","","","","","","","","8","C 1 2 1","C 2y","5","","Cycloelatanene B with ZnI2-TPT crystalline sponge","","- C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 -","- C118.68 H134.52 Br0.8549 Cl0.8549 I12 N24 O1.7098 Zn6 -","- C474.718 H538.08 Br3.4196 Cl3.4196 I48 N96 O6.8392 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","","0.71073","MoKα","","0.0435","0.034","","","0.0937","0.0997","","","","","","1.034","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544404","24.5647","0.0002","8.4279","0.0001","16.8859","0.0001","90","","91.172","0.001","90","","3495.14","0.05","120","2","119.96","0.13","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H36 Cl F5 N4 O2 U -","- C37 H36 Cl F5 N4 O2 U -","- C148 H144 Cl4 F20 N16 O8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0273","0.027","","","0.0677","0.068","","","","","","1.038","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544405","14.486","0.005","30.377","0.005","12.092","0.005","90","0.005","107.081","0.005","90","0.005","5086","3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C204 H200 Cl12 F20 N16 O8 Ti8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0843","0.0561","","","0.101","0.1115","","","","","","1.063","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544406","16.0945","0.0002","28.2241","0.0004","19.2594","0.0003","90","","105.247","0.002","90","","8440.7","0.2","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cl Co F5 N4 O2.5 U -","- C37 H38 Cl Co F5 N4 O2.5 U -","- C296 H304 Cl8 Co8 F40 N32 O20 U8 -","8","2","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","x-ray","0.71073","MoKα","","0.0451","0.0334","","","0.0711","0.0757","","","","","","1.069","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544443","9.6533","0.0002","13.2733","0.0003","15.1062","0.0003","90","","90.485","0.002","90","","1935.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SHB2t","","- C24 H16 O2 S2 -","- C24 H16 O2 S2 -","- C96 H64 O8 S8 -","4","1","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0467","0.0374","","","0.0987","0.106","","","","","","1.044","","","","has coordinates","193734","2020-10-21","18:00:00",""
"1544444","9.3865","0.0003","12.1945","0.0003","26.4154","0.0006","90","","94.268","0.002","90","","3015.22","0.14","294.83","0.1","294.83","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SDB2t","","- C37 H24 Cl2 O2 S3 -","- C37 H24 Cl2 O2 S3 -","- C148 H96 Cl8 O8 S12 -","4","0.5","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0469","0.037","","","0.0928","0.0992","","","","","","1.028","","","","has coordinates","193734","2020-10-21","18:00:00",""
"1544458","6.98145","0.00013","21.3099","0.0004","8.10016","0.00014","90","","97.9679","0.0017","90","","1193.46","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl N2 O5 -","- C11 H11 Cl N2 O5 -","- C44 H44 Cl4 N8 O20 -","4","1","","Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong","Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides.","Chemical science","2017","8","2","1570","1575","10.1039/c6sc04357g","","x-ray","1.54184","CuKα","","0.0306","0.0285","","","0.0746","0.0758","","","","","","1.044","","","","has coordinates","196353","2020-10-21","18:00:00",""
"1544462","9.067","0.005","9.572","0.004","14.08","0.007","89.833","0.015","82.205","0.018","85.541","0.016","1207","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","ysl-cycloaddition-pro-Allyl","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","0.71073","MoKα","","0.0643","0.0424","","","0.0966","0.1092","","","","","","1.034","","","","has coordinates","193729","2020-10-21","18:00:00",""
"1544463","7.8529","0.0008","15.3187","0.0015","20.944","0.002","90","","90","","90","","2519.5","0.4","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ysl-acid-unnatural","","- C25 H32 Cl2 N2 O6 -","- C25 H32 Cl2 N2 O6 -","- C100 H128 Cl8 N8 O24 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.095","0.0631","","","0.1638","0.1842","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544464","27.2685","0.0008","27.2685","0.0008","7.6863","0.0003","90","","90","","90","","5715.3","0.3","100","","100","","","","","","","","","4","I 4","I 4","79","","ysl-518-OBn-natural","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C248 H304 N16 O40 -","8","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0764","0.051","","","0.1246","0.1399","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544465","8.9658","0.0001","14.5779","0.0002","17.7311","0.0003","90","","90","","90","","2317.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ysl-cycloaddition-pro-CO2Me-unnatural","","- C25 H30 N2 O7 -","- C25 H30 N2 O7 -","- C100 H120 N8 O28 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0305","0.0291","","","0.0714","0.0725","","","","","","1.046","","","","has coordinates","193729","2020-10-21","18:00:00",""
"1544481","5.0603","0.0008","21.361","0.004","17.169","0.003","90","","96.419","0.004","90","","1844.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br Cl2 O S -","- C20 H15 Br Cl2 O S -","- C80 H60 Br4 Cl8 O4 S4 -","4","1","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.033","0.0285","","","0.0708","0.0732","","","","","","1.039","","","","has coordinates","196358","2020-10-21","18:00:00",""
"1544482","18.742","0.002","15.6215","0.0019","13.97","0.0015","90","","98.216","0.004","90","","4048.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl N O3 S -","- C24 H16 Cl N O3 S -","- C192 H128 Cl8 N8 O24 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.0982","0.0568","","","0.1283","0.1457","","","","","","1.017","","","","has coordinates","196358","2020-10-21","18:00:00",""
"1544483","6.0792","0.0009","14.673","0.002","23.976","0.004","90","","91.386","0.004","90","","2138","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8.5 F1.5 O2 S -","- C11 H8.5 F1.5 O2 S -","- C88 H68 F12 O16 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71076","MoKα","","0.0992","0.064","","","0.1398","0.1567","","","","","","1.043","","","","has coordinates,has disorder","204121","2020-10-21","18:00:00",""
"1544510","7.8768","0.0001","8.0811","0.0001","8.6738","0.0006","68.1","0.005","66.086","0.005","61.433","0.004","432.1","0.04","93","","93","","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)2Cl2, ""purple isomer""","trans-Cl, trans-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","1","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0334","0.0334","","","0.082","0.082","","","","","","1.063","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544511","16.9129","0.0003","16.9129","0.0003","25.3688","0.0018","90","","90","","90","","7256.6","0.5","93","","93","","","","","","","","","6","I 41/a","-I 4ad","88","Ir(pyalk)2Cl2, ""maroon isomer""","trans-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C256 H320 Cl32 Ir16 N32 O32 -","16","","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0239","0.0234","","","0.0516","0.0519","","","","","","1.036","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1544512","8.8884","0.0003","9.6675","0.0003","12.5862","0.0009","95.132","0.007","109.482","0.008","110.349","0.008","929.79","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)(Hpyalk)Cl2, red isomer","Hydrogen cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C16 H23 Cl2 Ir N2 O3 -","- C16 H23 Cl2 Ir N2 O3 -","- C32 H46 Cl4 Ir2 N4 O6 -","2","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0183","0.0171","","","0.0444","0.0452","","","","","","0.881","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544513","7.9001","0.0001","18.4626","0.0003","14.3136","0.001","90","","95.04","0.007","90","","2079.66","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""green isomer""","cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C18 H24 Cl2 Ir N2 O3 -","- C18 H24 Cl2 Ir N2 O3 -","- C72 H96 Cl8 Ir4 N8 O12 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54178","CuKα","","0.0307","0.0284","","","0.0681","0.07","","","","","","1.061","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544514","8.7599","0.0002","15.6388","0.0003","15.6017","0.0011","90","","98.373","0.007","90","","2114.56","0.17","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""red isomer""","cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C17 H22 Cl4 Ir N2 O2 -","- C17 H22 Cl4 Ir N2 O2 -","- C68 H88 Cl16 Ir4 N8 O8 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0235","0.0203","","","0.0409","0.0418","","","","","","1.061","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544515","9.044","0.007","13.823","0.009","17.039","0.013","90","0.016","95.227","0.013","90","0.019","2121","3","496","2","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ir(pyalk)(Hpyalk)Cl2, green isomer","Hydrogen cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C33 H48 Cl6 Ir2 N4 O6 -","- C33 H48 Cl6 Ir2 N4 O6 -","- C66 H96 Cl12 Ir4 N8 O12 -","2","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0547","0.0448","","","0.1334","0.1464","","","","","","1.168","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544516","8.4303","0.0002","13.4446","0.0003","14.3559","0.001","74.431","0.005","85.859","0.006","81.771","0.006","1550.31","0.13","93","2","93","2","","","","","","","","7","P -1","-P 1","2","Na[Ir(pyalk)Cl4]","Sodium (2-{pyridin-2-yl}propan-2-olato)-tetrachloro-iridium(IV)","","- C8 H15 Cl4 Ir N Na O3.5 -","- C8 H15 Cl4 Ir N Na O3.5 -","- C32 H60 Cl16 Ir4 N4 Na4 O14 -","4","2","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0348","0.0306","","","0.0559","0.0586","","","","","","1.094","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1544517","14.9782","0.0004","15.0278","0.0003","17.4463","0.0012","90","","90","","90","","3927","0.3","93","2","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ir(pyalk)2Cl2, ""yellow isomer""","cis-Cl, trans-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C33 H42 Cl6 Ir2 N4 O4 -","- C33 H42 Cl6 Ir2 N4 O4 -","- C132 H168 Cl24 Ir8 N16 O16 -","4","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0439","0.0369","","","0.0961","0.1013","","","","","","0.903","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544536","8.8078","0.0018","9.5713","0.0019","23.675","0.005","90","","90","","90","","1995.9","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C96 H72 Br4 N4 O12 -","4","1","","Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate.","Chemical science","2017","8","3","1936","1941","10.1039/c6sc04135c","","","0.71073","MoKα","","0.0304","0.029","","","0.0664","0.0671","","","","","","1.094","","","","has coordinates","196372","2020-10-21","18:00:00",""
"1544553","9.6965","0.0004","17.3653","0.0007","19.2464","0.0008","90","","90","","90","","3240.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 O5 -","- C46 H32 O5 -","- C184 H128 O20 -","4","1","","Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri","A mechanistic study of the Lewis acid‒Brønsted base‒Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone","Catal. Sci. Technol.","2017","7","1","90","","10.1039/C6CY01697A","","","0.71073","MoKα","","0.0891","0.0539","","","0.1281","0.1457","","","","","","1.018","","","","has coordinates","191454","2020-10-21","18:00:00",""
"1544554","6.657","0.002","34.537","0.013","19.811","0.008","90","","90","","90","","4555","3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(tert-butyldimethylsilyl)-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C25 H32 Si2 -","- C25 H32 Si2 -","- C200 H256 Si16 -","8","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.114","0.0987","","","0.2249","0.2401","","","","","","1.318","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544555","15.291","0.008","11.701","0.006","14.17","0.008","90","","93.057","0.007","90","","2532","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(tert-Butyldimethylsilyl)-12-(trimethylsilyl)benzo[a]naphtho[2,3-e]pentalene","","- C29 H34 Si2 -","- C29 H34 Si2 -","- C116 H136 Si8 -","4","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.0922","0.0772","","","0.1967","0.2171","","","","","","1.168","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544556","7.221","0.003","11.79","0.005","16.389","0.009","110.915","0.01","93.663","0.016","94.99","0.02","1291.6","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","5-(tert-Butyldimethylsilyl)-3-(dimethylamino)-8-nitro-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C27 H36 N2 O2 Si2 -","- C27 H36 N2 O2 Si2 -","- C54 H72 N4 O4 Si4 -","2","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.1298","0.0765","","","0.1805","0.2282","","","","","","1.074","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544557","6.5595","0.0009","41.849","0.003","6.9922","0.0005","90","","94.939","0.008","90","","1912.3","0.3","97.3","","97.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 F8 N3 O -","- C23 H11 F8 N3 O -","- C92 H44 F32 N12 O4 -","4","1","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","","0.7107","MoKα","","0.092","0.0642","","","0.1307","0.1452","","","","","","1.09","","","","has coordinates","196365","2020-10-21","18:00:00",""
"1544558","15.842","0.008","5.698","0.0005","16.7517","0.0015","90","","94.72","0.02","90","","1507","0.8","97.2","0.1","97.2","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F4 I2 N6 O2 -","- C32 H22 F4 I2 N6 O2 -","- C64 H44 F8 I4 N12 O4 -","2","0.5","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","x-ray","0.71073","MoKα","","0.0399","0.0332","","","0.0705","0.0753","","","","","","1.028","","","","has coordinates","196365","2020-10-21","18:00:00",""
"1544592","9.0286","0.0014","9.0591","0.0015","9.4956","0.0015","81.785","0.002","73.648","0.002","66.336","0.002","682.18","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 S4 -","- C30 H36 S4 -","- C30 H36 S4 -","1","0.5","","Dong, Xin; Tian, Hongkun; Xie, Zhiyuan; Geng, Yanhou; Wang, Fosong","Donor‒acceptor conjugated polymers based on two-dimensional thiophene derivatives for bulk heterojunction solar cells","Polym. Chem.","2017","8","2","421","","10.1039/C6PY01767C","","","0.71073","MoKα","","0.0401","0.0358","","","0.0995","0.1112","","","","","","1.119","","","","has coordinates","191766","2020-10-21","18:00:00",""
"1544602","11.3281","0.0006","24.0698","0.0013","13.5639","0.0006","90","","110.91","0.002","90","","3454.8","0.3","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C112 H144 F24 N8 O4 Si4 Zn4 -","2","0.5","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0316","0.0283","","","0.0692","0.0708","","","","","","1.041","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1544603","10.5225","0.0011","11.8495","0.0013","16.4988","0.0018","91.643","0.005","107.641","0.005","115.266","0.004","1742.8","0.3","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H45 F6 N3 Si2 Zn -","- C31 H45 F6 N3 Si2 Zn -","- C62 H90 F12 N6 Si4 Zn2 -","2","1","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0418","0.0364","","","0.0955","0.0991","","","","","","1.053","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1544629","19.4453","0.0005","15.7177","0.0002","23.5873","0.0007","90","","109.174","0.003","90","","6809.2","0.3","140","0.2","140","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 B4 Cl8 Fe2 N14 O12 -","- C56 H68 B4 Cl8.0001 Fe2 N14 O12 -","- C224 H272 B16 Cl32.0004 Fe8 N56 O48 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1089","0.0848","","","0.176","0.1888","","","","","","1.042","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544630","8.4174","0.0008","19.6607","0.0014","20.1792","0.0015","60.961","0.008","79.048","0.008","87.787","0.007","2860.9","0.5","140","0.2","140","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C86 H108 B8 Cl12 Fe4 N28 O24 -","2","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.11","0.0813","","","0.1745","0.194","","","","","","1.045","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544631","20.2193","0.0012","20.6255","0.0011","21.5175","0.0012","63.61","0.005","76.958","0.005","85.618","0.005","7828.1","0.9","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1212","0.0958","","","0.2057","0.222","","","","","","0.999","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544632","41.2884","0.0009","14.0841","0.0004","54.0058","0.0015","90","","97.789","0.002","90","","31115.2","1.4","140","","140","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C640 H768 B80 F64 Fe32 N224 O192 Pd8 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2129","0.1467","","","0.2909","0.3321","","","","","","0.995","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544633","21.3764","0.0008","21.4422","0.0009","23.5362","0.001","105.44","0.004","91.132","0.003","90.267","0.003","10396.1","0.8","140","0.1","140","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1317","0.0979","","","0.2092","0.2274","","","","","","1.002","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544634","20.6996","0.0019","21.9894","0.001","23.0916","0.0012","96.416","0.004","91.4","0.006","109.195","0.006","9843.2","1.2","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2287","0.1499","","","0.2913","0.3359","","","","","","1.063","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544635","17.5471","0.00008","17.5471","0.00008","62.6742","0.0005","90","","90","","90","","19297.4","0.2","140","0.1","140","0.1","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C528 H612 B40 F32 Fe16 N124 O112 Pd4 -","2","0.125","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.0673","0.0653","","","0.1649","0.1667","","","","","","1.02","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544644","14.8643","0.0004","19.384","0.0003","24.2728","0.0007","90","","107.004","0.003","90","","6688","0.3","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Y","","- C70 H83 Sb4 Y3 -","- C70 H83 Sb4 Y3 -","- C280 H332 Sb16 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0693","0.0459","","","0.0773","0.0868","","","","","","1.009","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544645","14.8968","0.0003","19.3308","0.0004","24.2616","0.0005","90","","106.568","0.002","90","","6696.5","0.2","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 Dy3 Sb4 -","- C70 H83 Dy3 Sb4 -","- C280 H332 Dy12 Sb16 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0411","0.0349","","","0.0581","0.0615","","","","","","1.016","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544646","15.113","0.0002","18.7437","0.0002","24.0965","0.0003","90","","103.339","0.001","90","","6641.75","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Dy","","- C70 H83 Dy3 Sb3 -","- C70 H83 Dy3 Sb3 -","- C280 H332 Dy12 Sb12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0303","0.0282","","","0.0635","0.0648","","","","","","1.027","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544647","15.1052","0.0002","18.7715","0.0002","24.1263","0.0003","90","","103.437","0.001","90","","6653.68","0.14","150.02","0.11","150.02","0.11","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Y","","- C70 H83 Sb3 Y3 -","- C70 H83 Sb3 Y3 -","- C280 H332 Sb12 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0241","0.0213","","","0.0445","0.0455","","","","","","1.031","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544648","5.174","0.0002","7.9835","0.0004","11.2694","0.0005","88.921","0.004","79.679","0.004","73.714","0.004","439.35","0.04","150.01","0.13","150.01","0.13","","","","","","","","3","P -1","-P 1","2","","Dimesityldistibine","","- C18 H24 Sb2 -","- C18 H24 Sb2 -","- C18 H24 Sb2 -","1","0.5","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0308","0.0236","","","0.0516","0.0548","","","","","","1.049","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544649","19.7793","0.0008","19.7793","0.0008","11.2095","0.0007","90","","90","","120","","3797.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C19 H35 N3 O7 -","- C19 H35 N3 O7 -","- C114 H210 N18 O42 -","6","1","","Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish","A self-assembled peptide mimetic of a tubular host and a supramolecular polymer","Polym. Chem.","2017","8","2","396","","10.1039/C6PY01955B","","x-ray","0.71073","MoKα","","0.0711","0.0591","","","0.1546","0.1625","","","","","","1.008","","","","has coordinates","191765","2020-10-21","18:00:00",""
"1544655","22.63","0.008","23.529","0.009","19.425","0.007","90","","112.979","0.005","90","","9522","6","123","2","123","2","","","","","","","Synthesis","6","P 1 21/c 1","-P 2ybc","14","cyclo[6]aramide/Paraquat complex","cyclo[6]aramide and paraquat hexafluoro phosphate","","- C90 H121 F6 N7 O18 P -","- C90 H121 F6 N7 O18 P -","- C360 H484 F24 N28 O72 P4 -","4","1","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1534","0.0896","","","0.2339","0.2667","","","","","","1.262","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544656","22.928","0.002","25.6042","0.0012","23.2131","0.0015","90","","111.03","0.009","90","","12719.6","1.7","150","2","150","2","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","[3]rotaxane of cyclo[6]aramides and paraquat derivatives","rotaxane-cyclo[6]aramides/paraquat","","- C216 H292 F12 N20 O36 P2 -","- C216 H292 F12 N20 O36 P2 -","- C432 H584 F24 N40 O72 P4 -","2","0.5","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1758","0.1198","","","0.3108","0.3386","","","","","","1.051","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544657","9.0651","0.0011","8.8852","0.001","33.617","0.005","90","","90","","90","","2707.7","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium) tetraiodoplumbate","bis(6-iodohexan-1-aminium) tetraiodoplumbate","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.","Decreasing the electronic confinement in layered perovskites through intercalation.","Chemical science","2017","8","3","1960","1968","10.1039/c6sc02848a","","","0.71073","MoKα","","0.043","0.0315","","","0.0661","0.0706","","","","","","1.123","","","","has coordinates,has disorder","196369","2020-10-21","18:00:00",""
"1544658","19.385","0.003","16.22","0.003","10.9215","0.0015","90","","107.035","0.018","90","","3283.3","1","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H36 Cl2 Ir O2 P -","- C39 H36 Cl2 Ir O2 P -","- C156 H144 Cl8 Ir4 O8 P4 -","4","1","","Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin","Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.","Chemical science","2017","8","3","1977","1980","10.1039/c6sc03764j","","","0.71073","MoKα","","0.0321","0.0317","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has disorder","196368","2020-10-21","18:00:00",""
"1544659","7.0191","0.0003","18.0476","0.0008","16.9652","0.0006","90","","99.85","0.003","90","","2117.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I N6 O3 Re -","- C22 H12 I N6 O3 Re -","- C88 H48 I4 N24 O12 Re4 -","4","1","","Wedding, J. L.; Harris, H. H.; Bader, C. A.; Plush, S. E.; Mak, R.; Massi, M.; Brooks, D. A.; Lai, B.; Vogt, S.; Werrett, M. V.; Simpson, P. V.; Skelton, B. W.; Stagni, S.","Intracellular distribution and stability of a luminescent rhenium(i) tricarbonyl tetrazolato complex using epifluorescence microscopy in conjunction with X-ray fluorescence imaging.","Metallomics : integrated biometal science","2017","9","4","382","390","10.1039/c6mt00243a","","","0.71073","MoKα","","0.0448","0.0372","","","0.0787","0.0815","","","","","","1.129","","","","has coordinates","196474","2020-10-21","18:00:00",""
"1544660","13.7983","0.0008","18.7174","0.0011","19.3028","0.0011","90","","90","","90","","4985.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl11 N O P Pd -","- C45 H43 Cl11 N O P Pd -","- C180 H172 Cl44 N4 O4 P4 Pd4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","0.71073","MoKα","","0.0419","0.0328","","","0.0636","0.0666","","","","","","1.02","","","","has coordinates,has disorder","196361","2020-10-21","18:00:00",""
"1544661","6.077","0.0011","7.7665","0.0014","27.619","0.005","90","","90","","90","","1303.5","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N -","- C17 H17 N -","- C68 H68 N4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","1.54178","CuKα","","0.0273","0.0272","","","0.071","0.0711","","","","","","1.076","","","","has coordinates","196361","2020-10-21","18:00:00",""
"1544701","20.2513","0.0002","20.7166","0.0003","21.07611","0.00018","90","","90","","90","","8842.23","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 F6 N17 O9.75 P -","- C81.75 H139 F6 N17 O9.75 P -","- C327 H556 F24 N68 O39 P4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1002","0.1036","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544702","20.20836","0.00017","21.378","0.0002","20.70075","0.00019","90","","90.0578","0.0008","90","","8943.02","0.14","123","0.1","123","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H140 F6 N16 O10 P Sb -","- C82 H140 F6 N16 O10 P Sb -","- C328 H560 F24 N64 O40 P4 Sb4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0931","0.0932","","","","","","1.039","","","","has coordinates","193733","2020-10-21","18:00:00",""
"1544703","20.03081","0.00012","20.92663","0.00013","20.97159","0.00013","90","","90","","90","","8790.82","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H140 B F4 N17 O10 -","- C82 H140 B F4 N17 O10 -","- C328 H560 B4 F16 N68 O40 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0553","0.0544","","","0.1574","0.1587","","","","","","1.061","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544704","20.1641","0.0003","20.8019","0.0003","21.1254","0.0003","90","","90","","90","","8861.1","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 N17 O13.75 Re -","- C81.75 H139 N17 O13.75 Re -","- C327 H556 N68 O55 Re4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0613","0.0594","","","0.1641","0.1662","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544705","20.1263","0.0003","21.3089","0.0003","20.7811","0.0002","90","","90.0371","0.0012","90","","8912.4","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H140 I N16 O14 P -","- C82 H140 I0.9995 N16 O13.998 P -","- C328 H560 I3.998 N64 O55.992 P4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","0.71073","MoKα","","0.0385","0.0362","","","0.0837","0.0862","","","","","","1.041","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544706","20.27229","0.00012","20.7328","0.00013","21.02695","0.00011","90","","90","","90","","8837.66","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C83 H140 F3 N17 O13 S -","- C83 H140 F3 N17 O13 S -","- C332 H560 F12 N68 O52 S4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0502","0.0492","","","0.1432","0.1445","","","","","","1.04","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544707","14.6959","0.001","7.2819","0.0006","13.7456","0.001","90","","94.301","0.005","90","","1466.83","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F10 N4 O -","- C13 H4 F10 N4 O -","- C52 H16 F40 N16 O4 -","4","1","","Chowdhury, Additi Roy; Ghosh, Pritam; Paul, Suparna; Bhuyan, Samuzal; Bose K, Jagadeesh C.; Mukhopadhyay, Sudit; Banerjee, Priyabrata","A novel ditopic chemosensor for cadmium and fluoride and its possible application as a pH sensor","Anal. Methods","2017","9","1","124","","10.1039/C6AY02656G","","","0.71073","MoKα","","0.1002","0.0558","","","0.1594","0.1965","","","","","","1.018","","","","has coordinates","191452","2020-10-21","18:00:00",""
"1544742","12.4327","0.0005","15.7628","0.0007","12.9117","0.0006","90","","97.2061","0.0009","90","","2510.37","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Au N2 P S -","- C26 H38 Au N2 P S -","- C104 H152 Au4 N8 P4 S4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0322","0.0317","","","0.0853","0.0859","","","","","","1.129","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544743","11.4778","0.0017","20.461","0.003","11.6734","0.0017","90","","111.062","0.002","90","","2558.3","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Au N2 O2 -","- C32 H25 Au N2 O2 -","- C128 H100 Au4 N8 O8 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0241","0.024","","","0.0645","0.0645","","","","","","1.142","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544744","10.9501","0.0006","25.1526","0.0013","13.6349","0.0007","90","","102.556","0.001","90","","3665.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Au B F2 N2 P -","- C39 H51 Au B F2 N2 P -","- C156 H204 Au4 B4 F8 N8 P4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","","1.54178","CuKα","","0.0417","0.0409","","","0.1069","0.1077","","","","","","1.034","","","","has coordinates,has disorder","196362","2020-10-21","18:00:00",""
"1544745","42.723","0.006","42.723","0.006","37.856","0.008","90","","90","","90","","69097","2","223","1","223","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C372 H446 Cd24 Eu8 N24 O142 -","- C372 H446 Cd24 Eu8 N24 O142 -","- C1488 H1784 Cd96 Eu32 N96 O568 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.710747","MoKα","","0.1553","0.0916","","","0.2165","0.2587","","","","","","0.908","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1544746","42.795","0.006","42.795","0.006","37.864","0.008","90","","90","","90","","69345","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C1556 H2048 Cd96 N96 Nd32 O694 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.71073","MoKα","","0.2006","0.1094","","","0.2595","0.3325","","","","","","1.083","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1544749","9.7188","0.0001","7.1598","0.0001","18.2787","0.0003","90","","98.358","0.001","90","","1258.41","0.03","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C10 Cl8 -","- C10 Cl8 -","- C40 Cl32 -","4","1","","Sarkar, Sounak; Row, Tayur N. Guru","A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene","IUCrJ","2017","4","1","","","10.1107/S205225251601808X","","x-ray","0.71073","MoKα","","0.042","0.025","","","","0.048","","","","","","1.004","","","","has coordinates","188987","2020-10-21","18:00:00",""
"1544751","17.8087","0.0005","11.3207","0.0003","17.3127","0.0005","90","","90","","90","","3490.36","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 5","[SiP(iPr)2P(NMe)]FeNH2","","- C35 H53 Fe N2 P3 Si -","- C35 H53 Fe N2 P3 Si -","- C140 H212 Fe4 N8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0571","0.0393","","","0.0784","0.0845","","","","","","1.034","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544752","13.454","0.005","10.208","0.004","32.264","0.014","90","","90.86","0.008","90","","4431","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6","{[SiP(iPr)2P(NMe)]FeN2}{Na(THF)2}","","- C43 H65 Fe N3 Na O2 P3 Si -","- C43 H65 Fe N3 Na O2 P3 Si -","- C172 H260 Fe4 N12 Na4 O8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1237","0.086","","","0.1956","0.2116","","","","","","1.055","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544753","13.2134","0.0006","16.5453","0.0008","19.1158","0.0009","107.944","0.003","103.367","0.003","104.913","0.003","3616.2","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3","{[SiP(iPr)2P(NMe)]FeNH3}{BArF4}","","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C138 H142 B2 F48 Fe2 N4 O P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","1.54178","CuKα","","0.1025","0.069","","","0.1612","0.1811","","","","","","1.014","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544754","16.278","0.003","12.177","0.002","24.314","0.004","90","","90.733","0.005","90","","4819.1","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H69 Fe N5 Na O3 P3 Si -","- C180 H276 Fe4 N20 Na4 O12 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0996","0.0879","","","0.2229","0.2294","","","","","","1.173","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544755","10.4778","0.001","17.2329","0.0017","20.001","0.002","92.885","0.004","96.497","0.003","98.431","0.003","3541.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[SiP(iPr)2P(NMe)]Fe(N2)(H)","","- C35 H53 Fe N3 P3 Si -","- C35 H52 Fe N3 P3 Si -","- C140 H208 Fe4 N12 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0458","0.0358","","","0.0832","0.0883","","","","","","1.021","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1544756","12.6269","0.0013","16.1557","0.0017","20.397","0.002","86.951","0.005","77.672","0.005","72.605","0.005","3878.8","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 4","{]SiP(iPr)2P(NMe)]FeN2H4}{BArF4}","","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C146 H164 B2 F48 Fe2 N6 O3 P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0743","0.0552","","","0.1576","0.175","","","","","","1.021","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544757","24.918","0.006","16.256","0.004","12.349","0.003","90","","90","","90","","5002","2","270","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H70 Fe N5 Na O3 P3 Si -","- C180 H280 Fe4 N20 Na4 O12 P12 Si4 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1078","0.0699","","","0.1665","0.1863","","","","","","1.094","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544758","38.962","0.002","11.0406","0.0006","18.1487","0.0009","90","","90","","90","","7806.9","0.7","293","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Compound 1'","[SiP(NMe)3]FeCl","","- C39 H51 Cl Fe N3 P3 Si -","- C39 H47 Cl Fe N3 P3 Si -","- C312 H376 Cl8 Fe8 N24 P24 Si8 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0532","0.0481","","","0.1089","0.1108","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544759","10.6457","0.0005","19.2443","0.0009","16.2208","0.0008","90","","91.27","0.003","90","","3322.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 2'","[SiP(NMe)3]FeN2","","- C33 H45 Cl0 Fe N5 P3 Si -","- C33 H45 Fe N5 P3 Si -","- C132 H180 Fe4 N20 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0501","0.0461","","","0.1121","0.1145","","","","","","1.1","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544760","17.5105","0.0012","20.6792","0.0014","22.9097","0.0016","102.798","0.003","94.824","0.003","111.77","0.003","7385","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3'","{[SiP(NMe)3]FeNH3}{BArF4}","","- C69 H70 B F24 Fe N4 O P3 Si -","- C69 H70 B F24 Fe N4 O P3 Si -","- C276 H280 B4 F96 Fe4 N16 O4 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0929","0.0549","","","0.1287","0.1496","","","","","","1.014","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544761","17.2096","0.0002","31.3584","0.0004","50.5444","0.0006","90","","90","","90","","27277.1","0.6","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C142 H160 Er5 F90 N47 O100 S30 -","- C142 H160 Er5 F90 N47 O100 S30 -","- C568 H640 Er20 F360 N188 O400 S120 -","4","1","","Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V.","Breaking the paradigm: record quindecim charged magnetic ionic liquids","Mater. Horiz.","2017","4","2","217","","10.1039/C6MH00468G","","","0.71073","MoKα","","0.0783","0.0613","","","0.1536","0.164","","","","","","1.016","","","","has coordinates","195193","2020-10-21","18:00:00",""
"1544776","31.425","0.006","9.0156","0.0018","34.41","0.005","90","","147.193","0.008","90","","5282","2","297","","297","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","RuCl(NCO)(DMSO)(Pic)","Ru WOCs","","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C164 H208 Cl32 N32 O24 Ru8 S8 -","4","0.5","","Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis","Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand","Catal. Sci. Technol.","2017","7","2","387","","10.1039/C6CY02333A","","","0.71073","MoKα","","0.0683","0.0636","","","0.1487","0.1517","","","","","","1.233","","","","has coordinates","191453","2020-10-21","18:00:00",""
"1544780","13.0201","0.0018","13.0201","0.0018","13.1802","0.0019","90","","90","","90","","2234.3","0.5","173","2","173","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","","","- C16 H32.72 N4 O12.36 Zr -","- C16 H28.52 N4 O12.36 Zr -","- C64 H114.08 N16 O49.44 Zr4 -","4","0.5","","Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J.","Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development.","Chemical science","2017","8","3","2309","2314","10.1039/c6sc04128k","","","0.71073","MoKα","","0.05","0.0432","","","0.1061","0.1119","","","","","","1.067","","","","has coordinates,has disorder","196359","2020-10-21","18:00:00",""
"1544782","36.662","0.003","37.055","0.004","5.1092","0.0005","90","","90","","90","","6940.9","1.2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H30 N4 O2 S2 Zn -","- C30 H30 N4 O2 S2 Zn -","- C240 H240 N32 O16 S16 Zn8 -","8","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.1057","0.0887","","","0.2644","0.2832","","","","","","1.186","","","","has coordinates,has disorder","189498","2020-10-21","18:00:00",""
"1544783","14.871","0.002","4.9627","0.0009","20.315","0.003","90","","93.183","0.004","90","","1496.9","0.4","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C28 H26 F2 N4 O6 S2 Zn -","- C35.5 H20 F2 N4 S2 Zn -","- C71 H40 F4 N8 S4 Zn2 -","2","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.1452","0.0645","","","0.1408","0.1804","","","","","","0.937","","","","has coordinates","189133","2020-10-21","18:00:00",""
"1544784","10.3095","0.0004","12.2083","0.0004","20.7566","0.0007","90","","96.68","0.001","90","","2594.72","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F2 N4 S2 Zn -","- C28 H20 F2 N4 S2 Zn -","- C112 H80 F8 N16 S8 Zn4 -","4","1","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.0476","0.0361","","","0.0851","0.091","","","","","","1.027","","","","has coordinates,has disorder","189133","2020-10-21","18:00:00",""
"1544785","8.276","0.005","24.824","0.015","12.523","0.008","90","","90","","90","","2573","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H20 F2 N4 S2 Zn -","- C28 H20 F2 N4 S2 Zn -","- C112 H80 F8 N16 S8 Zn4 -","4","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.0483","0.0431","","","0.107","0.1098","","","","","","1.083","","","","has coordinates,has disorder","189133","2020-10-21","18:00:00",""
"1544786","12.2584","0.0007","10.9135","0.0006","21.9058","0.0013","90","","104.66","0.0018","90","","2835.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(OC-6-44)-Diamminedichloridomethoxido[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylcarbamato]platinum(IV)","","- C8 H16 Cl2 N4 O5 Pt -","- C8 H16 Cl2 N4 O5 Pt -","- C64 H128 Cl16 N32 O40 Pt8 -","8","2","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0281","0.0218","","","0.0429","0.0443","","","","","","1.147","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544787","27.345","0.005","10.1753","0.0011","12.3345","0.0013","90","","101.328","0.005","90","","3365.1","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(OC-6-44)-Acetatodiamminedichlorido[2-(2,5-dioxopyrrolidin-1-yl)ethyl)carbamato]platinum(IV)","","- C9 H20 Cl2 N4 O7 Pt -","- C9 H20 Cl2 N4 O7 Pt -","- C72 H160 Cl16 N32 O56 Pt8 -","8","1","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0263","0.0241","","","0.0638","0.067","","","","","","1.089","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544788","29.4745","0.0004","35.8121","0.0005","48.4263","0.0007","86.379","0.001","75.637","0.001","74.164","0.001","47638.4","1.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C697 H897 Ag115 P12 S81 -","- C697 H897 Ag115 P12 S81 -","- C1394 H1794 Ag230 P24 S162 -","2","1","","Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter","[Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster","Chem. Sci.","2017","8","3","2235","","10.1039/C6SC04578B","","x-ray","1.54178","CuKα","","0.186","0.1217","","","0.3358","0.3793","","","","","","1.158","","","","has coordinates,has disorder","193735","2020-10-21","18:00:00",""
"1544795","6.9126","0.0014","7.6578","0.0015","31.895","0.006","90","","92.22","0.03","90","","1687.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-dioxo(2-(N-(salicylidene)amino)-4-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","","- C16 H19 Mo N O6 -","- C16 H19 Mo N O6 -","- C64 H76 Mo4 N4 O24 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0486","0.0321","","","0.0645","0.0699","","","","","","1.045","","","","has coordinates,has disorder","191701","2020-10-21","18:00:00",""
"1544796","8.7538","0.0005","10.0269","0.0005","10.7193","0.0006","97.063","0.004","111.466","0.005","95.831","0.004","857.95","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-dioxo(2-(N-(salicylidene)amino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C16 H19 Mo N O6 -","- C16 H19 Mo N O6 -","- C32 H38 Mo2 N2 O12 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0414","0.0281","","","0.0574","0.0593","","","","","","0.924","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544797","19.61","0.0007","7.5974","0.0004","12.7835","0.0005","90","","102.179","0.004","90","","1861.68","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-dioxo(2-(N-(3-methoxysalicyliden)amino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C17 H21 Mo N O7 -","- C17 H21 Mo N O7 -","- C68 H84 Mo4 N4 O28 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0504","0.0303","","","0.0709","0.0744","","","","","","0.894","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544798","7.6444","0.0005","9.9107","0.0005","11.0535","0.0006","72.13","0.005","82.196","0.005","88.111","0.005","789.61","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)phenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C18 H15 Mo N O5 -","- C18 H15 Mo N O5 -","- C36 H30 Mo2 N2 O10 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0278","0.0229","","","0.0643","0.0653","","","","","","1.052","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544799","7.9476","0.0013","14.9809","0.0014","16.765","0.003","90","","96.268","0.019","90","","1984.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C20 H21 Mo N O6 -","- C20 H21 Mo N O6 -","- C80 H84 Mo4 N4 O24 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0841","0.0393","","","0.0738","0.0811","","","","","","0.85","","","","has coordinates","191701","2020-10-21","18:00:00",""
"1544802","11.379","0.0006","22.2822","0.0012","16.4411","0.0009","90","","107.567","0.004","90","","3974.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B2 Cl F18 N3 -","- C35 H32 B2 Cl F18 N3 -","- C140 H128 B8 Cl4 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.087","0.0762","","","0.2005","0.212","","","","","","1.047","","","","has coordinates","196366","2020-10-21","18:00:00",""
"1544803","12.936","0.0004","18.7832","0.0006","41.0326","0.0012","90","","94.5442","0.0015","90","","9938.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H51 B2 F18 N5 -","- C46 H51 B2 F18 N5 -","- C368 H408 B16 F144 N40 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0613","0.0543","","","0.139","0.1447","","","","","","1.037","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544804","9.3972","0.0002","12.2337","0.0003","16.8072","0.0004","73.1735","0.001","77.1382","0.0011","68.1258","0.001","1701.94","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39.5 B F3.5 N5 O3 S -","- C31 H39.5 B F3.5 N5 O3 S -","- C62 H79 B2 F7 N10 O6 S2 -","2","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0461","0.0434","","","0.1229","0.1255","","","","","","1.063","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544805","13.5787","0.0003","12.2769","0.0002","11.1774","0.0002","90","","90","","90","","1863.32","0.06","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H21 B F3 N5 O3 S -","- C12 H21 B F3 N5 O3 S -","- C48 H84 B4 F12 N20 O12 S4 -","4","0.5","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0702","0.0684","","","0.1904","0.194","","","","","","1.061","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544806","12.6084","0.0003","19.7795","0.0006","24.1204","0.0006","90","","90","","90","","6015.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H53 B2 F24 N7 -","- C54 H53 B2 F24 N7 -","- C216 H212 B8 F96 N28 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0489","0.048","","","0.1325","0.1337","","","","","","1.045","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544807","25.1883","0.0019","12.192","0.0009","26.4276","0.0018","90","","98.253","0.003","90","","8031.8","1","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35.38 H33.75 B2 Cl0.75 F18 N3 -","- C35.375 H33.75 B2 Cl0.75 F18 N3 -","- C283 H270 B16 Cl6 F144 N24 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0642","0.0608","","","0.16","0.1632","","","","","","1.062","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544808","12.2423","0.0002","22.642","0.0004","14.6138","0.0002","90","","92.7542","0.0011","90","","4046.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35 B2 F18 N3 -","- C35 H31 B2 F18 N3 -","- C140 H124 B8 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0802","0.0633","","","0.1762","0.1957","","","","","","1.058","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544809","7.543","0.001","11.336","0.002","11.424","0.002","63.483","0.003","89.755","0.004","88.763","0.004","873.9","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","1","0.5","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0652","0.0509","","","0.1353","0.1457","","","","","","1.048","","","","has coordinates,has disorder","196371","2020-10-21","18:00:00",""
"1544810","19.724","0.004","19.724","0.004","45.031","0.009","90","","90","","120","","15172","5","84","2","85","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C252 H432 F108 Fe18 N432 O108 S36 -","18","1","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0609","0.0403","","","0.094","0.1087","","","","","","1.082","","","","has coordinates","196371","2020-10-21","18:00:00",""
"1544811","10.453","0.004","4.7776","0.0016","12.787","0.005","90","","91.545","0.006","90","","638.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Br2 F4 -","- C14 H6 Br2 F4 -","- C28 H12 Br4 F8 -","2","0.5","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.0332","0.0308","","","0.0721","0.0733","","","","","","1.147","","","","has coordinates","191767","2020-10-21","18:00:00",""
"1544812","18.983","0.007","6.635","0.002","28.718","0.011","90","","101.14","0.004","90","","3549","2","173.15","","173.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H12 F4 S2 -","- C22 H12 F4 S2 -","- C176 H96 F32 S16 -","8","2","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.0526","0.0488","","","0.0999","0.1027","","","","","","1.106","","","","has coordinates,has disorder","191767","2020-10-21","18:00:00",""
"1544813","6.538","0.003","22.32","0.009","17.876","0.007","90","","95.624","0.005","90","","2596.1","1.9","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H18 F6 S3 -","- C33 H18 F6 S3 -","- C132 H72 F24 S12 -","4","1","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.1579","0.1478","","","0.3519","0.3586","","","","","","1.173","","","","has coordinates,has disorder","191767","2020-10-21","18:00:00",""
"1544814","10.2447","0.0006","8.1822","0.0004","16.059","0.0008","90","","100.634","0.002","90","","1323.01","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","2","","Li, Hong-Lei; Li, Xiao-Ming; Li, Xin; Wang, Chen-Yin; Liu, Hui; Kassack, Matthias U.; Meng, Ling-Hong; Wang, Bin-Gui","Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501.","Journal of natural products","2017","80","1","162","168","10.1021/acs.jnatprod.6b00797","","","1.54178","CuKα","","0.0555","0.0454","","","0.1104","0.1203","","","","","","1.047","","","","has coordinates","191355","2020-10-21","18:00:00",""
"1544815","6.1006","0.0001","15.0443","0.0002","16.0425","0.0002","90","","90","","90","","1472.37","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian","Spiro Meroterpenoids from Ganoderma applanatum.","Journal of natural products","2017","80","1","61","70","10.1021/acs.jnatprod.6b00431","","","1.54178","CuKα","","0.0274","0.0274","","","0.0711","0.0711","","","","","","1.056","","","","has coordinates","191356","2020-10-21","18:00:00",""
"1544822","8.2","0.0008","12.4012","0.0012","21.182","0.002","90","","90","","90","","2154","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1398","0.0595","","","0.0968","0.1205","","","","","","1.038","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544823","8.73","0.005","13.396","0.005","11.372","0.005","90","0.005","101.968","0.005","90","0.005","1301","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","succinimide-piv","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1086","0.057","","","0.1253","0.1411","","","","","","1.047","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544824","13.9364","0.0002","13.9364","0.0002","34.5285","0.0007","90","","90","","90","","6706.24","0.19","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C66 H52 Cl12 N2 O4 -","- C66 H52 Cl12 N2 O4 -","- C264 H208 Cl48 N8 O16 -","4","1","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1013","0.073","","","0.2046","0.2326","","","","","","1.022","","","","has coordinates,has disorder","288471","2023-12-21","10:03:37",""
"1544825","11.4627","0.0005","11.8704","0.0005","15.645","0.0006","76.067","0.002","89.834","0.002","72.77","0.001","1968.03","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","1","0.5","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1469","0.0694","","","0.1717","0.2099","","","","","","1.025","","","","has coordinates","193748","2020-10-21","18:00:00",""
"1544826","6.3989","0.00008","11.27072","0.00015","19.0731","0.0003","90","","92.0107","0.0013","90","","1374.71","0.03","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Kim, Jungwon; Hong, Soon Hyeok","Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones.","Chemical science","2017","8","3","2401","2406","10.1039/c6sc05266e","","x-ray","1.54184","CuKα","","0.0441","0.0411","","","0.1095","0.1128","","","","","","1.048","","","","has coordinates","196370","2020-10-21","18:00:00",""
"1544839","9.6525","0.0004","10.0128","0.0005","20.198","0.001","94.526","0.004","92.174","0.004","117.703","0.005","1716.78","0.16","293.26","0.1","293.26","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N Na O9 S -","- C36 H42 N Na O9 S -","- C72 H84 N2 Na2 O18 S2 -","2","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71073","MoKα","","0.1019","0.0741","","","0.1714","0.1929","","","","","","1.02","","","","has coordinates,has disorder","191361","2020-10-21","18:00:00",""
"1544840","10.6133","0.0009","15.1843","0.0017","17.364","0.0016","107.939","0.009","92.806","0.008","93.558","0.008","2650.3","0.5","294.59","0.1","294.59","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H80 N Na O7 S -","- C54.5 H80 N Na O7 S -","- C109 H160 N2 Na2 O14 S2 -","2","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71","MoKα","","0.1589","0.077","","","0.1336","0.1674","","","","","","0.972","","","","has coordinates,has disorder","191361","2020-10-21","18:00:00",""
"1544841","10.9876","0.0005","12.4673","0.0007","18.4805","0.0012","76.475","0.005","86.282","0.005","88.815","0.004","2456.1","0.2","291.23","0.1","291.23","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C47 H63 K N O9 S -","- C46.9993 H62.9992 K N O9 S -","- C93.9986 H125.998 K2 N2 O18 S2 -","2","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71073","MoKα","","0.0912","0.0627","","","0.1611","0.1816","","","","","","1.067","","","","has coordinates,has disorder","191361","2020-10-21","18:00:00",""
"1544842","10.7318","0.0008","16.846","0.0015","16.1244","0.0013","90","","91.924","0.007","90","","2913.5","0.4","293","0.1","293","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 Na O10 S -","- C29 H32 N2 Na O10 S -","- C116 H128 N8 Na4 O40 S4 -","4","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71073","MoKα","","0.0777","0.0534","","","0.1452","0.1687","","","","","","0.995","","","","has coordinates","191361","2020-10-21","18:00:00",""
"1544843","9.359","0.0008","10.6693","0.0009","27.872","0.002","90","","93.525","0.007","90","","2777.9","0.4","281.4","","281.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N4 O -","- C35 H28 N4 O -","- C140 H112 N16 O4 -","4","1","","Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong","Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging","Chem. Sci.","2017","8","3","1763","","10.1039/C6SC04842K","","","0.71073","MoKα","","0.0981","0.0525","","","0.1115","0.1375","","","","","","1.027","","","","has coordinates,has disorder","193744","2020-10-21","18:00:00",""
"1544851","6.241","0.0004","27.3263","0.0016","6.9456","0.0004","90","","99.4148","0.0019","90","","1168.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O10 -","- C24 H28 N2 O10 -","- C48 H56 N4 O20 -","2","0.5","","Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin","Piezochromism and hydrochromism through electron transfer: new stories for viologen materials","Chem. Sci.","2017","8","4","2758","","10.1039/C6SC04579K","","","0.71073","MoKα","","0.0656","0.0442","","","0.1079","0.1193","","","","","","1.04","","","","has coordinates,has disorder","195009","2020-10-21","18:00:00",""
"1544903","9.1556","0.0003","9.1556","0.0003","66.051","0.004","90","","90","","90","","5536.7","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C29 H31 N3 O3 Pd -","- C29 H31 N3 O3 Pd -","- C232 H248 N24 O24 Pd8 -","8","1","","Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang","A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water","Polym. Chem.","2017","8","7","1217","","10.1039/C6PY01859A","","","0.71073","MoKα","","0.0534","0.0492","","","0.1172","0.1193","","","","","","1.176","","","","has coordinates","193920","2020-10-21","18:00:00",""
"1544914","10.5654","0.0007","12.0671","0.0008","25.9946","0.0015","90","","90","","90","","3314.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C144 H216 O20 -","4","1","","Yang, Xing-Wei; Yang, Jing; Xu, Gang","Skeleton Reassignment of Type C Polycyclic Polyprenylated Acylphloroglucinols.","Journal of natural products","2017","80","1","108","113","10.1021/acs.jnatprod.6b00754","","","1.54178","CuKα","","0.1026","0.0952","","","0.2141","0.2192","","","","","","1.161","","","","has coordinates,has disorder","191358","2020-10-21","18:00:00",""
"1544922","7.1535","0.0009","11.5439","0.001","9.2553","0.0012","90","","110.398","0.014","90","","716.37","0.16","123","0.1","123","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","","1.54184","CuKα","","0.0229","0.0227","","","0.0588","0.059","","","","","","1.071","","","","has coordinates","191359","2020-10-21","18:00:00",""
"1544924","7.098","0.005","11.005","0.005","12.116","0.006","90","","98.904","0.008","90","","935","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0433","0.0409","","","0.1028","0.1048","","","","","","1.059","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1544925","7.342","0.004","15.348","0.012","8.002","0.004","90","","98.622","0.008","90","","891.5","1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0471","0.042","","","0.1153","0.1497","","","","","","1.22","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1544926","18.8274","0.0007","12.704","0.0005","19.8612","0.0007","90","","90","","90","","4750.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H10 Al F15 O2 -","- C24 H10 Al F15 O2 -","- C192 H80 Al8 F120 O16 -","8","1","","Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.","Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism","Macromolecules","2017","50","1","123","","10.1021/acs.macromol.6b02398","","","0.71073","MoKα","","0.0492","0.0387","","","0.092","0.0981","","","","","","1.062","","","","has coordinates","191362","2020-10-21","18:00:00",""
"1544928","15.308","0.003","18.011","0.004","18.454","0.004","90","0.03","90.22","0.03","90","0.03","5088","1.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C304 H208 O16 -","8","2","","Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken","Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.","Organic letters","2017","19","1","42","45","10.1021/acs.orglett.6b03279","","","1.54186","CuKα","","0.0429","0.0381","","","0.1004","0.1042","","","","","","1.05","","","","has coordinates","191395","2020-10-21","18:00:00",""
"1544929","10.6286","0.0018","25.115","0.004","10.7465","0.0018","90","","104.224","0.004","90","","2780.7","0.8","130","","130","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H25 N3 O4 S -","- C33 H25 N3 O4 S -","- C132 H100 N12 O16 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0989","0.0497","","","0.1119","0.1429","","","","","","0.807","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544930","9.003","0.002","10.963","0.003","12.428","0.003","72.805","0.005","85.559","0.005","79.074","0.005","1150.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C60 H44 N4 O4 S2 -","2","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0667","0.0487","","","0.1243","0.1356","","","","","","1.023","","","","has coordinates","191396","2020-10-21","18:00:00",""
"1544933","10.83","0.0014","9.6753","0.0012","16.09","0.002","90","","92.076","0.001","90","","1684.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","1","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.0363","0.0344","","","0.0913","0.0931","","","","","","1.075","","","","has coordinates","191397","2020-10-21","18:00:00",""
"1544934","8.798","0.002","17.333","0.004","7.162","0.002","90","","99.138","0.009","90","","1078.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V.","Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates.","Organic letters","2017","19","2","372","375","10.1021/acs.orglett.6b03573","","","0.71073","MoKα","","0.1197","0.1026","","","0.215","0.2232","","","","","","1.129","","","","has coordinates","191381","2020-10-21","18:00:00",""
"1544935","11.1909","0.0009","21.865","0.002","8.6529","0.0007","90","","112.255","0.006","90","","1959.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Phatake, Ravindra S.; Mullapudi, Venkannababu; Wakchaure, Vivek C.; Ramana, Chepuri V.","Fluoride-Mediated Dephosphonylation of α-Diazo-β-carbonyl Phosphonates.","Organic letters","2017","19","2","372","375","10.1021/acs.orglett.6b03573","","","0.71073","MoKα","","0.171","0.107","","","0.1935","0.2162","","","","","","1.175","","","","has coordinates","191381","2020-10-21","18:00:00",""
"1544936","21.1993","0.0019","8.9364","0.0009","27.249","0.003","90","","108.488","0.003","90","","4895.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl4 N5 -","- C58 H59 Cl4 N5 -","- C232 H236 Cl16 N20 -","4","1","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.71073","MoKα","","0.0978","0.0859","","","0.2221","0.2297","","","","","","1.13","","","","has coordinates,has disorder","191398","2020-10-21","18:00:00",""
"1544937","14.2293","0.0002","14.2293","0.0002","14.5334","0.0004","90","","90","","90","","2942.62","0.1","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C60 H58 Br4 Cl4 N6 -","- C60 H58 Br4 Cl4 N6 -","- C120 H116 Br8 Cl8 N12 -","2","0.25","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.7107","MoKα","","0.0408","0.0342","","","0.0948","0.0989","","","","","","1.034","","","","has coordinates","191398","2020-10-21","18:00:00",""
"1544938","8.89","0.0002","31.1842","0.0007","11.2873","0.0003","90","","90.258","0.001","90","","3129.12","0.13","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N3 O8 S -","- C32 H37 N3 O8 S -","- C128 H148 N12 O32 S4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","0.71073","MoKα","","0.0878","0.0523","","0.1334","0.1173","0.1334","","","","","","0.9883","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544939","25.6854","0.0002","8.0217","0.0001","15.3789","0.0001","90","","90","","90","","3168.68","0.05","150","","150","","","","","","","","local","6","P c a 21","P 2c -2ac","29","","","","- C32 H41 N O7 S Si -","- C32 H41 N O7 S Si -","- C128 H164 N4 O28 S4 Si4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","1.54184","CuKα","","0.0309","0.0303","","0.0783","0.0778","0.0783","","","","","","1.0308","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544940","10.6659","0.0001","12.3","0.0002","29.9835","0.0005","78.5156","0.0013","86.0516","0.0012","75.7746","0.0012","3735.77","0.1","150","","150","","","","","","","","local","6","P -1","-P 1","2","","","","- C37 H52 N2 O8 S Si -","- C37 H52 N2 O8 S Si -","- C148 H208 N8 O32 S4 Si4 -","4","2","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","1.54184","CuKα","","0.0526","0.0466","","0.1188","0.1142","0.1188","","","","","","1","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544941","7.5065","0.0004","8.2625","0.0003","12.1071","0.0005","93.086","0.003","105.999","0.004","96.045","0.004","715.11","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","- C26 H28 Cl2 O8 S2 -","1","1","","Wallbaum, Jan; Garve, Lennart K. B.; Jones, Peter G.; Werz, Daniel B.","Ring-Opening 1,3-Halochalcogenation of Cyclopropane Dicarboxylates.","Organic letters","2017","19","1","98","101","10.1021/acs.orglett.6b03375","","","1.54184","CuKα","","0.0295","0.029","","","0.0749","0.0758","","","","","","1.027","","","","has coordinates,has disorder","191400","2020-10-21","18:00:00",""
"1544943","18.542","0.0009","8.149","0.0004","16.428","0.001","90","","112.296","0.001","90","","2296.7","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","1","","Mangina, N. S. V. M. Rao; Kadiyala, Veerabhushanam; Guduru, Ravinder; Goutham, Kommuru; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-Catalyzed Intramolecular Regioselective 7-exo-dig Cyclization To Access 3-Methylene-3,4-dihydrobenzo[b]oxepinones.","Organic letters","2017","19","1","282","285","10.1021/acs.orglett.6b03433","","","0.71073","MoKα","","0.0937","0.0555","","","0.1492","0.1758","","","","","","1.032","","","","has coordinates","191401","2020-10-21","18:00:00",""
"1544944","8.4235","0.0008","17.6443","0.0017","17.7369","0.0017","90","","90","","90","","2636.2","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O7 -","- C26 H31 N3 O7 -","- C104 H124 N12 O28 -","4","1","","Yarlagadda, Suresh; Ramesh, B.; Ravikumar Reddy, C.; Srinivas, L.; Sridhar, B.; Subba Reddy, B. V.","Organocatalytic Enantioselective Amination of 2-Substituted Indolin-3-ones: A Strategy for the Synthesis of Chiral α-Hydrazino Esters.","Organic letters","2017","19","1","170","173","10.1021/acs.orglett.6b03473","","","0.71073","MoKα","","0.0369","0.0339","","","0.0915","0.0939","","","","","","1.031","","","","has coordinates","191402","2020-10-21","18:00:00",""
"1544945","8.0323","0.0014","11.0444","0.0015","21.437","0.004","90","","90","","90","","1901.7","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl2 N O -","- C23 H17 Cl2 N O -","- C92 H68 Cl8 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.0702","0.0395","","","0.0927","0.1163","","","","","","0.977","","","","has coordinates,has disorder","191403","2020-10-21","18:00:00",""
"1544947","9.3929","0.0012","6.4813","0.0007","17.376","0.002","90","","101.247","0.003","90","","1037.5","0.2","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C40 H52 Br2 N2 O8 -","2","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","0.71075","MoKα","","0.0883","0.049","","","0.1022","0.1448","","","","","","1.098","","","","has coordinates","191404","2020-10-21","18:00:00",""
"1544948","15.7589","0.0012","10.4662","0.0008","26.8462","0.0016","90","","102.139","0.007","90","","4328.9","0.5","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N -","- C28 H29 N -","- C224 H232 N8 -","8","2","","Yin, Jianhao; Ye, Qingyu; Hao, Wei; Du, Shuaijing; Gu, Yucheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation of Cyclopenta[c]pyridine Derivatives from 2,5-Disubstituted Pyrroles and 1,4-Dibromo-1,3-butadienes via Pyrrole-Ring One-Carbon Expansion.","Organic letters","2017","19","1","138","141","10.1021/acs.orglett.6b03431","","","0.71073","MoKα","","0.1495","0.0834","","","0.1967","0.2336","","","","","","0.998","","","","has coordinates","191405","2020-10-21","18:00:00",""
"1544952","8.4034","0.0006","9.8773","0.0007","14.6579","0.0008","101.168","0.005","101.636","0.006","102.436","0.006","1127.36","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C50 H46 N6 O6 S2 -","2","1","","Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi","One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence.","Organic letters","2017","19","1","10","13","10.1021/acs.orglett.6b02850","","","0.71073","MoKα","","0.0762","0.0526","","","0.1174","0.1356","","","","","","1.05","","","","has coordinates","191406","2020-10-21","18:00:00",""
"1544953","8.3665","0.0008","10.0146","0.001","10.4237","0.001","90","","108.862","0.004","90","","826.47","0.14","123","","123","","","","","","","","Royal","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Royal, Titouan; Baumgartner, Yann; Baudoin, Olivier","Enantioselective α-Arylation of O-Carbamates via Sparteine-Mediated Lithiation and Negishi Cross-Coupling.","Organic letters","2017","19","1","166","169","10.1021/acs.orglett.6b03472","","","1.54178","CuKα","","0.0262","0.026","","0.0544","0.0544","0.0544","","","","","","0.8942","","","","has coordinates","191407","2020-10-21","18:00:00",""
"1544963","7.8462","0.0004","11.066","0.0005","10.6654","0.0006","90","","112.684","0.003","90","","854.4","0.08","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O4 -","- C16 H27 N O4 -","- C32 H54 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1463","0.0683","","","0.1375","0.2071","","","","","","1.139","","","","has coordinates","191408","2020-10-21","18:00:00",""
"1544965","17.3672","0.0009","12.098","0.0006","10.2133","0.0006","90","","97.836","0.003","90","","2125.9","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H12 Cl7 F6 S2 Sb -","- C8 H12 Cl7 F6 S2 Sb -","- C32 H48 Cl28 F24 S8 Sb4 -","4","1","","Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.","Alkyldisulfanium Salts: Isolable, Electrophilic Sulfur Reagents Competent for Polyene Cyclizations.","Organic letters","2017","19","1","2","5","10.1021/acs.orglett.6b02059","","","0.7749","synchrotron","","0.0418","0.0349","","","0.0694","0.0723","","","","","","1.028","","","","has coordinates","191409","2020-10-21","18:00:00",""
"1544966","9.0793","0.0009","10.4132","0.001","15.2584","0.0014","90","","90","","90","","1442.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.0455","0.0356","","","0.0818","0.0876","","","","","","1.04","","","","has coordinates","191410","2020-10-21","18:00:00",""
"1544967","6.3817","0.0003","9.423","0.0004","28.5737","0.0012","90","","90","","90","","1718.27","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.044","0.0366","","","0.0814","0.0864","","","","","","1.031","","","","has coordinates","191410","2020-10-21","18:00:00",""
"1544969","21.9093","0.0007","15.8193","0.0003","19.1282","0.0012","90","","130.884","0.002","90","","5012.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 F12 N10 O7 P2 Ru -","- C42 H50 F12 N10 O7 P2 Ru -","- C168 H200 F48 N40 O28 P8 Ru4 -","4","0.5","","Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J.","Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity.","Chemical science","2017","8","1","395","404","10.1039/c6sc03028a","","","1.54184","CuKα","","0.0854","0.0787","","","0.2222","0.2336","","","","","","1.058","","","","has coordinates,has disorder","196322","2020-10-21","18:00:00",""
"1544970","10.9404","0.0002","10.9404","0.0002","13.0885","0.0003","90","","90","","120","","1356.71","0.05","298","2","298","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H19 Fe N S2 -","- C20 H19 Fe N S2 -","- C60 H57 Fe3 N3 S6 -","3","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.041","0.0295","","","0.0569","0.0626","","","","","","1.007","","","","has coordinates","191655","2020-10-21","18:00:00",""
"1544971","7.6132","0.0008","10.3234","0.0011","17.0932","0.0019","90","","90","","90","","1343.4","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Fe N O S -","- C14 H17 Fe N O S -","- C56 H68 Fe4 N4 O4 S4 -","4","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.0257","0.0234","","","0.0522","0.0529","","","","","","0.982","","","","has coordinates,has disorder","191655","2020-10-21","18:00:00",""
"1544972","10.2026","0.0006","15.2374","0.0009","8.0026","0.0005","90","","90","","90","","1244.09","0.13","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Fe N S -","- C14 H15 Fe N S -","- C56 H60 Fe4 N4 S4 -","4","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.042","0.0293","","","0.0654","0.0709","","","","","","1.025","","","","has coordinates","191655","2020-10-21","18:00:00",""
"1544973","11.1905","0.0002","22.586","0.0004","16.2428","0.0003","90","","91.695","0.0012","90","","4103.55","0.13","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Cl F3 Ga N3 O3 S Si2 -","- C34 H54 Cl F3 Ga N3 O3 S Si2 -","- C136 H216 Cl4 F12 Ga4 N12 O12 S4 Si8 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0756","0.0552","","","0.1382","0.1572","","","","","","1.097","","","","has coordinates,has disorder","191664","2020-10-21","18:00:00",""
"1544974","9.3467","0.0002","9.991","0.0002","18.9915","0.0004","81.5099","0.0008","79.0123","0.0007","62.4631","0.0008","1540.13","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43.85 Cl0.15 Ga N3 Si2 -","- C27 H43.85 Cl0.15 Ga N3 Si2 -","- C54 H87.7 Cl0.3 Ga2 N6 Si4 -","2","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.03","0.0296","","","0.0824","0.0828","","","","","","1.061","","","","has coordinates,has disorder","191664","2020-10-21","18:00:00",""
"1544975","12.2187","0.001","15.2841","0.0013","15.7675","0.0013","90","","102.522","0.004","90","","2874.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 F6 Ga N2 O6 S2 -","- C23 H25 F6 Ga N2 O6 S2 -","- C92 H100 F24 Ga4 N8 O24 S8 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0357","0.033","","","0.0953","0.0988","","","","","","1.079","","","","has coordinates","191664","2020-10-21","18:00:00",""
"1544976","12.2392","0.0002","36.3301","0.0007","11.934","0.0002","90","","117.532","0.0006","90","","4705.51","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71.5 Cl2 Ga N3 O1.75 Si2 -","- C37 H64 Cl2 Ga N3 O Si2 -","- C148 H256 Cl8 Ga4 N12 O4 Si8 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0333","0.0324","","","0.08","0.0807","","","","","","1.112","","","","has coordinates","191664","2020-10-21","18:00:00",""
"1544977","18.7477","0.0005","8.4344","0.0002","15.3559","0.0004","90","","95.0657","0.0017","90","","2418.68","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H30 Ga N5 -","- C24.5 H30 Ga N5 -","- C98 H120 Ga4 N20 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1406","1412","10.1039/c6dt04595b","","","1.54178","CuKα","","0.0865","0.0668","","","0.1732","0.1905","","","","","","1.039","","","","has coordinates,has disorder","191664","2020-10-21","18:00:00",""
"1544978","9.6591","0.0007","15.8903","0.0012","16.1514","0.0012","90","","91.983","0.007","90","","2477.5","0.3","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O2 S -","- C29 H26 N2 O2 S -","- C116 H104 N8 O8 S4 -","4","1","","Chen, Wei; Bai, Ya-Li; Luo, Yong-Chun; Xu, Peng-Fei","Rh(II) Catalyzed High Order Cycloadditions of 8-Azaheptafulvenes with N-Sulfonyl 1,2,3-Triazloes or α-Oxo Diazocompounds.","Organic letters","2017","19","2","364","367","10.1021/acs.orglett.6b03542","","x-ray","0.71073","MoKα","","0.1318","0.0653","","","0.1251","0.1689","","","","","","1.064","","","","has coordinates","191379","2020-10-21","18:00:00",""
"1544979","8.6521","0.0003","31.6804","0.0012","8.7706","0.0003","90","","106.944","0.001","90","","2299.68","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azidocyclopentane","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Dey, Raghunath; Banerjee, Prabal","Lewis Acid Catalyzed Diastereoselective Cycloaddition Reactions of Donor-Acceptor Cyclopropanes and Vinyl Azides: Synthesis of Functionalized Azidocyclopentane and Tetrahydropyridine Derivatives.","Organic letters","2017","19","2","304","307","10.1021/acs.orglett.6b03276","","","0.71073","MoKα","","0.158","0.0862","","","0.2005","0.2325","","","","","","1.068","","","","has coordinates","191382","2020-10-21","18:00:00",""
"1544980","15.3377","0.0002","7.8683","0.0001","16.5282","0.0003","90","","100.698","0.0006","90","","1959.98","0.05","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(7aR*,12bS*)-6-Bromo-5,12b-dihydroxy-4,13-dimethoxy-7a-methyl-7H-naphth[2,1:b]fluolene-8,13-dione","","","- C24 H19 Br O6 -","- C24 H19 Br O6 -","- C96 H76 Br4 O24 -","4","1","","Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Skeletal Rearrangements of Polycyclic α-Ketols.","Organic letters","2017","19","2","301","303","10.1021/acs.orglett.6b03541","","","0.71075","MoKα","","0.0295","0.0269","","","0.0697","0.0712","","","","","","1.079","","","","has coordinates","191384","2020-10-21","18:00:00",""
"1544981","6.9248","0.0004","10.1578","0.0006","12.5321","0.0006","75.761","0.003","75.876","0.005","79.427","0.005","821.43","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","6-Bromo-7a-methyl-7,7a-dihydro-5H-dibenzo[b,g]fluorene-5,8,13-trione","","","- C22 H13 Br O3 -","- C22 H13 Br O3 -","- C44 H26 Br2 O6 -","2","1","","Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Skeletal Rearrangements of Polycyclic α-Ketols.","Organic letters","2017","19","2","301","303","10.1021/acs.orglett.6b03541","","","0.71075","MoKα","","0.0479","0.0456","","","0.1174","0.119","","","","","","1.027","","","","has coordinates","191384","2020-10-21","18:00:00",""
"1544982","18.0886","0.0005","25.2724","0.001","26.1157","0.001","62.983","0.004","89.953","0.003","89.655","0.003","10635.5","0.8","100","1.7","100","1.7","","","","","","","","5","P -1","-P 1","2","","Ga[OSi(OtBu)3]3(thf)","","- C40 H89 Ga O13 Si3 -","- C40 H89 Ga O13 Si3 -","- C320 H712 Ga8 O104 Si24 -","8","4","","Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe","Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts","Chem. Sci.","2017","8","4","2661","","10.1039/C6SC05178B","","","0.71073","MoKα","","0.1188","0.0741","","","0.1174","0.1374","","","","","","1.02","","","","has coordinates","194992","2020-10-21","18:00:00",""
"1544983","14.003","0.0003","8.7535","0.0002","16.9635","0.0003","90","","93.969","0.001","90","","2074.32","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C68 H60 Cu8 I8 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0186","0.0168","","","0.0415","0.0422","","","","","","1.036","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544984","8.811","0.0001","10.0997","0.0001","12.544","0.0002","101.523","0.001","102.995","0.001","104.283","0.001","1014.82","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","1","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0184","0.0171","","","0.0438","0.0445","","","","","","1.14","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544985","28.265","0.0008","16.1159","0.0005","10.1658","0.0003","90","","109.463","0.001","90","","4366.1","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C140 H128 Cl8 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0336","0.0306","","","0.0774","0.0801","","","","","","1.047","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544986","25.9718","0.0006","10.2757","0.0002","17.5936","0.0004","90","","90.94","0.001","90","","4694.72","0.18","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C144 H136 Cl16 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0508","0.0464","","","0.1163","0.1194","","","","","","1.101","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544987","17.889","0.0001","12.2339","0.0001","20.7705","0.0003","90","","101.703","0.001","90","","4451.18","0.08","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cu N5 O6 S2 -","- C17 H15 Cu N5 O6 S2 -","- C136 H120 Cu8 N40 O48 S16 -","8","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.028","0.0251","","","0.0645","0.0655","","","","","","1.071","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544988","10.1355","0.0002","8.3969","0.0002","21.0712","0.0004","90","","95.58","0.001","90","","1784.8","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu2 I2 N6 S4 -","- C34 H30 Cu2 I2 N6 S4 -","- C68 H60 Cu4 I4 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.108","0.0904","","","0.1791","0.192","","","","","","1.054","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544989","10.5537","0.0005","9.2526","0.0004","16.335","0.0008","90","","107.345","0.003","90","","1522.57","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0864","0.0506","","","0.0822","0.0919","","","","","","1.074","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544990","8.878","0.003","12.26","0.003","21.373","0.006","90","","95.593","0.005","90","","2315.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, Anxin","Diamination/Oxidative Cross-Coupling/Bicyclization of Anilines and Methyl Ketones: Direct I2-Promoted Synthesis of 1,2-Fused Oxindoles.","Organic letters","2017","19","2","408","411","10.1021/acs.orglett.6b03636","","","0.71073","MoKα","","0.0994","0.0524","","","0.147","0.1848","","","","","","0.967","","","","has coordinates","191383","2020-10-21","18:00:00",""
"1544991","11.2567","0.0007","11.6409","0.0007","27.0758","0.0016","90","","90","","90","","3548","0.4","298","2","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F3 O2 S2 -","- C18 H17 F3 O2 S2 -","- C144 H136 F24 O16 S16 -","8","2","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71073","MoKα","","0.1464","0.0902","","","0.1256","0.1446","","","","","","1.058","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1544992","5.6786","0.0006","8.4547","0.0009","15.2755","0.0016","95.353","0.008","96.231","0.008","102.129","0.008","707.68","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 O2 S2 -","- C12 H13 F3 O2 S2 -","- C24 H26 F6 O4 S4 -","2","1","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71","MoKα","","0.1544","0.0978","","","0.2709","0.3262","","","","","","1.037","","","","has coordinates,has disorder","194993","2020-10-21","18:00:00",""
"1544993","12.2342","0.0014","24.232","0.003","18.5607","0.0019","90","","100.311","0.007","90","","5413.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H32 B2 F22 N O2 P -","- C49 H32 B2 F22 N O2 P -","- C196 H128 B8 F88 N4 O8 P4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","1.54178","CuKα","","0.1153","0.0684","","","0.1625","0.1873","","","","","","1.04","","","","has coordinates,has disorder","189869","2020-10-21","18:00:00",""
"1544994","9.1176","0.0012","16.071","0.002","19.36","0.002","90","","98.211","0.004","90","","2807.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 B F15 N -","- C30 H23 B F15 N -","- C120 H92 B4 F60 N4 -","4","2","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1115","0.0612","","","0.1098","0.1284","","","","","","1.045","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544995","9.6021","0.0005","9.8581","0.0006","13.16","0.0007","73.124","0.002","77.164","0.002","81.941","0.002","1158.44","0.11","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B F10 N -","- C24 H24 B F10 N -","- C48 H48 B2 F20 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.073","0.0427","","","0.0871","0.0976","","","","","","1.014","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544996","14.4987","0.0007","11.0883","0.0004","23.6041","0.001","90","","106.503","0.001","90","","3638.4","0.3","102","2","102","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H25 B2 F20 N O2 -","- C38 H25 B2 F20 N O2 -","- C152 H100 B8 F80 N4 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0713","0.0405","","","0.0766","0.0867","","","","","","1.033","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544997","11.0648","0.0002","22.0848","0.0004","20.1904","0.0004","90","","102.354","0.001","90","","4819.56","0.16","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 B2 F25 N O2 -","- C44 H24 B2 F25 N O2 -","- C176 H96 B8 F100 N4 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1137","0.0711","","","0.1475","0.1658","","","","","","1.031","","","","has coordinates,has disorder","189869","2020-10-21","18:00:00",""
"1544998","7.0432","0.0001","18.5654","0.0004","19.9939","0.0004","90","","98.022","0.001","90","","2588.82","0.08","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B F10 N3 O2 -","- C24 H24 B F10 N3 O2 -","- C96 H96 B4 F40 N12 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0639","0.049","","","0.1108","0.1222","","","","","","1.065","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1544999","11.4759","0.0007","11.5926","0.0007","20.7695","0.0013","90","","95.877","0.002","90","","2748.6","0.3","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B F10 N3 O2 -","- C26 H28 B F10 N3 O2 -","- C104 H112 B4 F40 N12 O8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.1147","0.0945","","","0.1765","0.1841","","","","","","1.2","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1545000","10.9697","0.0002","11.2538","0.0002","13.9662","0.0004","93.564","0.001","101.334","0.001","106.008","0.001","1612.53","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 B F10 N -","- C32 H30 B F10 N -","- C64 H60 B2 F20 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald","CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template","Chem. Sci.","2017","","","","","10.1039/C6SC04459J","","","0.71073","MoKα","","0.0871","0.0639","","","0.139","0.1502","","","","","","1.052","","","","has coordinates","189869","2020-10-21","18:00:00",""
"1545003","11.152","0.0008","16.7802","0.0012","35.226","0.003","90","","90","","90","","6591.9","0.9","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H90 N8 O15 -","- C59 H88 N8 O15 -","- C236 H352 N32 O60 -","4","1","","Jang, Jun-Pil; Nogawa, Toshihiko; Futamura, Yushi; Shimizu, Takeshi; Hashizume, Daisuke; Takahashi, Shunji; Jang, Jae-Hyuk; Ahn, Jong Seog; Osada, Hiroyuki","Octaminomycins A and B, Cyclic Octadepsipeptides Active against Plasmodium falciparum.","Journal of natural products","2017","80","1","134","140","10.1021/acs.jnatprod.6b00758","","","0.71073","MoKα","","0.1916","0.1145","","","0.2633","0.2857","","","","","","1.522","","","","has coordinates,has disorder","191357","2020-10-21","18:00:00",""
"1545005","31.7209","0.0005","19.3373","0.0002","50.4748","0.0007","90","","96.0619","0.0014","90","","30787.9","0.7","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C301 H348 N8 O17 Zn -","- C301 H348 N8 O17 Zn -","- C1204 H1392 N32 O67.9998 Zn4 -","4","2","","Kohn, Daniel R.; Movsisyan, Levon D.; Thompson, Amber L.; Anderson, Harry L.","Porphyrin-Polyyne [3]- and [5]Rotaxanes.","Organic letters","2017","19","2","348","351","10.1021/acs.orglett.6b03528","","","0.6889","synchrotron","","0.1407","0.1236","","0.3567","0.3163","0.3567","","","","","","1.0067","","","","has coordinates,has disorder","191380","2020-10-21","18:00:00",""
"1545006","50.8135","0.0018","29.3497","0.0008","49.1614","0.0016","90","","110.274","0.004","90","","68775","4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C252 H330 Ag28 P4 Pt S18 -","- C252 H330 Ag28 P4 Pt S18 -","- C2016 H2640 Ag224 P32 Pt8 S144 -","8","1","","Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao","The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster","Chem. Sci.","2017","8","4","2581","","10.1039/C6SC05104A","","","1.54178","CuKα","","0.0432","0.0333","","","0.0845","0.0867","","","","","","1.048","","","","has coordinates","194995","2020-10-21","18:00:00",""
"1545007","14.1242","0.0001","14.1242","0.0001","16.617","0.0001","90","","90","","90","","3314.98","0.04","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C52 H96 Cl2 Mg N4 O30 -","- C52 H60 Cl2 Mg N4 O30 -","- C104 H120 Cl4 Mg2 N8 O60 -","2","0.5","","Barker, Emily C.; Martin, Adam D.; Garvey, Christopher J.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Ogden, Mark I.; Becker, Thomas","Thermal annealing behaviour and gel to crystal transition of a low molecular weight hydrogelator.","Soft matter","2017","13","5","1006","1011","10.1039/c6sm02431a","","","1.54184","CuKα","","0.0833","0.0826","","","0.2396","0.2406","","","","","","1.091","","","","has coordinates,has disorder","191768","2020-10-21","18:00:00",""
"1545008","5.1645","0.0004","13.0453","0.0009","22.127","0.0016","90","","90","","90","","1490.75","0.19","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O9 -","- C15 H18 O9 -","- C60 H72 O36 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0428","0.0406","","","0.1064","0.1093","","","","","","1.078","","","","has coordinates","191354","2020-10-21","18:00:00",""
"1545009","20.881","0.003","7.2139","0.0011","7.1436","0.0011","90","","95.201","0.004","90","","1071.6","0.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H13 O5.5 -","- C11 H13 O5.5 -","- C44 H52 O22 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0503","0.0501","","","0.1291","0.1293","","","","","","1.08","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545010","21.1206","0.0008","21.8158","0.0009","15.5581","0.0006","90","","111.402","0.003","90","","6674.3","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 F12 -","- C72 H50 F12 -","- C288 H200 F48 -","4","0.5","","Byun, Yearin; Cho, Moses; Kim, Daeok; Jung, Yousung; Coskun, Ali","Edge-Functionalized Graphene Nanoribbon Frameworks for the Capture and Separation of Greenhouse Gases","Macromolecules","2017","","","","","10.1021/acs.macromol.6b02483","","","0.71073","MoKα","","0.1759","0.0759","","","0.2065","0.2606","","","","","","1.007","","","","has coordinates,has disorder","190039","2020-10-21","18:00:00",""
"1545011","9.12236","0.0001","18.7734","0.0003","7.70271","0.0001","90","","108.576","0.001","90","","1250.42","0.03","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","","- C12 H9 Br N2 O2 S -","- C12 H9 Br N2 O2 S -","- C48 H36 Br4 N8 O8 S4 -","4","1","IS4014","Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta","<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide","IUCrData","2017","2","1","x162033","","10.1107/S2414314616020332","","","1.54187","CuKα","","","0.0374","","","","0.1007","","","","","","1.082","","","","has coordinates,has Fobs","190041","2020-10-21","18:00:00",""
"1545012","10.3476","0.0016","10.7877","0.0017","16.922","0.003","90","","106.214","0.008","90","","1813.8","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","SU4117","Janzen, Daron E.; Majerle, Rita S.; Novosad, Katie L.","<i>N</i>,<i>N</i>-Dibutylanilinium hydrogen squarate","IUCrData","2017","2","1","x162065","","10.1107/S2414314616020654","","","0.71075","MoKα","","0.0654","0.0444","","","0.0986","0.1076","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","190042","2020-10-21","18:00:00",""
"1545013","11.0543","0.001","12.1612","0.001","12.3464","0.001","119.14","0.004","94.668","0.005","93.182","0.005","1436.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","","- C14 H12 I N O3 S -","- C14 H12 I N O3 S -","- C56 H48 I4 N4 O12 S4 -","4","2","","Naveen, S.; Suresha, E.; Sudha, A. G.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide","IUCrData","2017","2","1","x162030","","10.1107/S2414314616020307","","","1.54178","CuKα","","0.0814","0.0624","","","0.1633","0.1816","","","","","","1.05","","","","has coordinates,has Fobs","190043","2020-10-21","18:00:00",""
"1545014","10.4024","0.0015","17.797","0.002","10.2829","0.0014","90","","112.908","0.007","90","","1753.5","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","","- C19 H20 N4 O S -","- C19 H20 N4 O S -","- C76 H80 N16 O4 S4 -","4","1","SU4113","Xu, Jianchao; Wang, Hewen","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one","IUCrData","2017","2","1","x162001","","10.1107/S2414314616020010","","","0.71073","MoKα","","0.0635","0.0447","","","0.0903","0.099","","","","","","0.971","","","","has coordinates,has Fobs","190044","2020-10-21","18:00:00",""
"1545015","11.139","0.007","6.979","0.004","12.546","0.008","90","","102.221","0.007","90","","953.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ<i>O</i>^2^,κ<i>O</i>^4^)cobalt(II) dihydrate","","- C10 H10 Co F12 O8 -","- C10 H10 Co F12 O8 -","- C20 H20 Co2 F24 O16 -","2","0.5","WM4036","Tominaga, Takumi; Mochida, Tomoyuki","<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate","IUCrData","2017","2","1","x170002","","10.1107/S2414314617000025","","","0.71073","MoKα","","0.033","0.0298","","","0.0773","0.0795","","","","","","1.087","","","","has coordinates,has Fobs","191426","2020-10-21","18:00:00",""
"1545016","5.9923","0.0001","11.0704","0.0002","12.1128","0.0003","107.981","0.0009","91.3414","0.0009","97.2061","0.0009","756.6","0.03","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","","- C14 H18 Cl N3 O S -","- C14 H18 Cl N3 O S -","- C28 H36 Cl2 N6 O2 S2 -","2","1","SU4104","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","IUCrData","2017","2","1","x161997","","10.1107/S2414314616019970","","","0.71073","MoKα","","0.0603","0.0526","","","0.1263","0.1304","","","","","","1.123","","","","has coordinates,has Fobs","190046","2020-10-21","18:00:00",""
"1545017","7.1284","0.0002","12.2818","0.0003","18.3709","0.0005","75.625","0.002","88.538","0.002","86.553","0.002","1555.1","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 F N O2 S2 -","- C15 H16 F N O2 S2 -","- C60 H64 F4 N4 O8 S8 -","4","2","SU4119","El-Khatatneh, Nasseem; Chandra; Rajesh, B. M.; Kumar, Shamantha; Doreswamy, B. H.; Mahendra, M.","(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","IUCrData","2017","2","1","x162069","","10.1107/S2414314616020691","","","0.71073","MoKα","","0.0474","0.0363","","","0.0863","0.0935","","","","","","1.029","","","","has coordinates,has Fobs","190047","2020-10-21","18:00:00",""
"1545018","8.4001","0.0008","9.6239","0.0009","18.0037","0.0018","90","","90","","90","","1455.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C68 H64 N8 S4 -","4","1","SJ4080","El Ghayati, Lhoussaine; Hamou Ahabchane, Noureddine; Lamine Doumbia, Mohamadou; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","IUCrData","2017","2","1","x161998","","10.1107/S2414314616019982","","","0.71073","MoKα","","0.0871","0.0454","","","0.1031","0.1165","","","","","","1.016","","","","has coordinates,has Fobs","190048","2020-10-21","18:00:00",""
"1545019","23.44","0.003","4.6307","0.0006","10.6408","0.0013","90","","90","","90","","1155","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","HB4107","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","IUCrData","2017","2","1","x162009","","10.1107/S2414314616020095","","","0.71073","MoKα","","0.0458","0.041","","","0.1084","0.1121","","","","","","1.089","","","","has coordinates,has Fobs","190049","2020-10-21","18:00:00",""
"1545020","5.5512","0.0002","8.9374","0.0003","19.4754","0.0006","102.143","0.003","93.557","0.003","90.362","0.003","942.61","0.06","293.2","0.5","293.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C44 H44 O10 -","2","2","","Fu, Kai; Zhang, Jingchuan; Lin, Lili; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-Dioxide/Lanthanide(III) Complex Catalyzed Asymmetric Bisvinylogous Mukaiyama Aldol Reactions","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03470","","x-ray","1.54184","CuKα","","0.05","0.0483","","","0.1265","0.1292","","","","","","1.071","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545021","8.351","0.004","27.156","0.014","8.545","0.004","90","","99.414","0.007","90","","1911.7","1.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2-methoxyphenyl)phosphine selenide","","- C21 H21 O3 P Se -","- C21 H21 O3 P Se -","- C84 H84 O12 P4 Se4 -","4","1","","Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.","Tris(2-methoxyphenyl)phosphine selenide","IUCrData","2017","2","1","x170009","","10.1107/S2414314617000098","","","0.71075","MoKα","","0.042","0.0341","","","0.0772","0.0836","","","","","","1.088","","","","has coordinates,has Fobs","190360","2020-10-21","18:00:00",""
"1545025","30.0933","0.0006","8.439","0.00015","26.6268","0.0005","90","","95.566","0.0007","90","","6730.2","0.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,11-di(10H-phenothiazin-10-yl)dibenzo[a,j]phenazine","","- C45 H26 Cl N4 S2 -","- C45 H26 Cl N4 S2 -","- C360 H208 Cl8 N32 S16 -","8","1","","Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi","Thermally activated delayed fluorescent phenothiazine‒dibenzo[a,j]phenazine‒phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence","Chem. Sci.","2017","8","4","2677","","10.1039/C6SC04863C","","","1.54187","CuKα","","","0.1215","","","","0.4004","","","","","","1.473","","","","has coordinates","194991","2020-10-21","18:00:00",""
"1545026","5.81321","0.00019","7.5432","0.0003","10.2777","0.0003","90","","93.249","0.003","90","","449.95","0.03","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(thiophen-2-yl)ethene","","- C10 H8 S2 -","- C10 H8 S2 -","- C20 H16 S4 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","0.71073","MoKα","","0.0409","0.0368","","","0.0901","0.093","","","","","","1.005","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545027","10.91901","0.00014","8.76755","0.00011","15.8755","0.0002","90","","93.1272","0.0011","90","","1517.55","0.03","100.1","0.5","100.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,5-bis(thiophene-2-yl)thieno[3,2-e]benzo[b]thiophene","","- C18 H10 S4 -","- C18 H10 S4 -","- C72 H40 S16 -","4","1","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0652","0.0661","","","","","","1.002","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545028","9.316","0.0002","9.10329","0.00018","9.6346","0.0002","90","","110.853","0.003","90","","763.55","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrathienylethene, TTE","1,1,2,2-tetra(thiophen-2-yl)ethene","","- C18 H12 S4 -","- C18 H12 S4 -","- C36 H24 S8 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.026","0.025","","","0.0783","0.0798","","","","","","1.002","","","","has coordinates,has disorder","195003","2020-10-21","18:00:00",""
"1545029","8.8456","0.0007","13.4959","0.0012","17.587","0.0017","92.181","0.004","98.685","0.004","106.652","0.003","1981.1","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 N O5.5 P -","- C20 H24 N O5.5 P -","- C80 H96 N4 O22 P4 -","4","4","","Suneja, Arun; Unhale, Rajshekhar A.; Singh, Vinod K.","Enantioselective Hydrophosphonylation of in Situ Generated N-Acyl Ketimines Catalyzed by BINOL-Derived Phosphoric Acid.","Organic letters","2017","19","3","476","479","10.1021/acs.orglett.6b03623","","","0.71073","MoKα","","0.0582","0.0492","","","0.1131","0.1175","","","","","","1.041","","","","has coordinates","191385","2020-10-21","18:00:00",""
"1545030","5.6654","0.0015","8.296","0.002","13.194","0.004","83.624","0.018","85.285","0.016","79.966","0.016","605.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl N O2 S -","- C11 H10 Cl N O2 S -","- C22 H20 Cl2 N2 O4 S2 -","2","1","","Modi, Anju; Ali, Wajid; Patel, Bhisma K.","Organocatalytic Regioselective Concomitant Thiocyanation and Acylation of Oxiranes Using Aroyl Isothiocyanates.","Organic letters","2017","","","","","10.1021/acs.orglett.6b03430","","","0.71073","MoKα","","0.0412","0.0372","","","0.1262","0.1329","","","","","","1.037","","","","has coordinates","190452","2020-10-21","18:00:00",""
"1545031","8.2271","0.0002","10.0704","0.0002","19.1028","0.0005","90","","98.364","0.001","90","","1565.84","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Modi, Anju; Ali, Wajid; Patel, Bhisma K.","Organocatalytic Regioselective Concomitant Thiocyanation and Acylation of Oxiranes Using Aroyl Isothiocyanates.","Organic letters","2017","","","","","10.1021/acs.orglett.6b03430","","","0.71073","MoKα","","0.0695","0.0568","","","0.1609","0.1722","","","","","","1.06","","","","has coordinates","190453","2020-10-21","18:00:00",""
"1545033","10.1622","0.0006","19.1448","0.0008","8.4373","0.0005","90","","102.425","0.003","90","","1603.06","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-5-(2-hydroxycyclohexanecarbonyl)-3-nitropyridin-2(1H)-one","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","SU4102","Ranjani, T. Siva; Poomathi, N.; Vimala, G.; Perumal, Paramasivam T.; Murugesan, K. Sakthi","1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2017","2","1","x170004","","10.1107/S2414314617000049","","","0.71073","MoKα","","0.056","0.0355","","","0.0815","0.0942","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","190489","2020-10-21","18:00:00",""
"1545034","9.9869","0.0006","5.3008","0.0003","13.9874","0.0009","90","","93.106","0.002","90","","739.39","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenylisoxazolin-5-one","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","HB4110","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Ouasif, Latifa; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Phenylisoxazolin-5-one: a redetermination","IUCrData","2017","2","1","x170032","","10.1107/S2414314617000323","","","1.54178","CuKα","","0.0382","0.0338","","","0.0849","0.0886","","","","","","1.099","","","","has coordinates,has Fobs","190490","2020-10-21","18:00:00",""
"1545035","8.7383","0.0006","14.1443","0.0009","19.2405","0.0013","90.732","0.001","92.181","0.001","91.394","0.001","2375.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","","- C29 H24 N2 O S -","- C29 H24 N2 O S -","- C116 H96 N8 O4 S4 -","4","2","SU4121","Akrad, Rachida; Mague, Joel T.; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Ramli, Youssef","1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","IUCrData","2017","2","1","x170033","","10.1107/S2414314617000335","","","0.71073","MoKα","","0.1064","0.0553","","","0.1371","0.1582","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","190491","2020-10-21","18:00:00",""
"1545036","13.2381","0.0003","9.9265","0.0002","19.0348","0.0004","90","","100.693","0.001","90","","2457.89","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","","- C26 H23 N5 O5 S -","- C26 H23 N5 O5 S -","- C104 H92 N20 O20 S4 -","4","1","SU4090","Seethalakshmi, P.; Palanivel, C.","1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate","IUCrData","2017","2","1","x162044","","10.1107/S2414314616020447","","","0.71073","MoKα","","0.0602","0.0484","","","0.1317","0.1431","","","","","","0.993","","","","has coordinates,has Fobs","190492","2020-10-21","18:00:00",""
"1545037","20.7954","0.0006","6.2107","0.0002","11.7871","0.0003","90","","90.653","0.001","90","","1522.25","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1-<i>H</i>-1,2,4-triazole-5-thione","","- C14 H21 N5 S -","- C14 H21 N5 S -","- C56 H84 N20 S4 -","4","1","HB4109","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdel-Rahman, Hamdy M.; Hawaiz, Farouq E.","4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","1","x170020","","10.1107/S2414314617000207","","","1.54178","CuKα","","0.0542","0.0477","","","0.1101","0.1153","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","190493","2020-10-21","18:00:00",""
"1545038","10.9903","0.0011","11.2364","0.0011","14.1608","0.0014","89.737","0.008","78.229","0.006","60.997","0.007","1488.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","","- C33 H35 Mo O3 P -","- C33 H35 Mo O3 P -","- C66 H70 Mo2 O6 P2 -","2","1","","Whited, Matthew T.; Ruffer, Eli J.; Zhang, Jia; Rabaey, Dominique J.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)","IUCrData","2017","2","1","x170042","","10.1107/S2414314617000426","","","0.71075","MoKα","","0.0496","0.0378","","","0.0835","0.0883","","","","","","1.045","","","","has coordinates,has Fobs","190494","2020-10-21","18:00:00",""
"1545039","18.1163","0.0018","13.3947","0.0013","12.3002","0.0013","90","","104.223","0.004","90","","2893.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","","- C13 H9 Cl I N O3 S -","- C13 H9 Cl I N O3 S -","- C104 H72 Cl8 I8 N8 O24 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail","<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide","IUCrData","2017","2","1","x170025","","10.1107/S2414314617000256","","","1.54178","CuKα","","0.0668","0.0638","","","0.1651","0.1724","","","","","","1.078","","","","has coordinates,has Fobs","190495","2020-10-21","18:00:00",""
"1545040","19.3473","0.0008","9.9623","0.0004","18.5845","0.0007","90","","116.194","0.002","90","","3214.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C136 H96 Cl16 O16 S8 -","8","1","SU4115","Ravi, A. J.; Vinayaka, A. C.; Roopashree, K. R.; Sadashiva, M. P.; Devarajegowda., H. C.","(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione","IUCrData","2017","2","1","x162047","","10.1107/S2414314616020472","","","1.54178","CuKα","","0.0536","0.0518","","","0.1392","0.1411","","","","","","1.077","","","","has coordinates,has Fobs","190496","2020-10-21","18:00:00",""
"1545041","10.4412","0.0003","7.6959","0.0002","20.2651","0.0005","90","","102.311","0.002","90","","1590.95","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-2,3-dihydro-4H-pyran-5-carboxylate","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C64 H68 Cl4 O16 -","4","1","TK4027","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","IUCrData","2017","2","1","x170034","","10.1107/S2414314617000347","","","0.71073","MoKα","","0.0531","0.0369","","","0.0969","0.1084","","","","","","1.026","","","","has coordinates,has Fobs","190497","2020-10-21","18:00:00",""
"1545042","13.211","0.003","13.685","0.002","6.858","0.0014","90","","92.971","0.011","90","","1238.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","HB4108","Bougueria, Hassiba; Chetioui, Souheyla; Mili, Assia; eddine Bouaoud, Salah; Merazig, Hocine","(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","IUCrData","2017","2","1","x170039","","10.1107/S2414314617000396","","","0.71073","MoKα","","0.076","0.0424","","","0.1098","0.1242","","","","","","0.971","","","","has coordinates,has Fobs","190498","2020-10-21","18:00:00",""
"1545043","14.7725","0.0005","9.3588","0.0003","9.8079","0.0003","90","","116.308","0.0014","90","","1215.53","0.07","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","4-[Bis(2-chloroethyl)amino]benzaldehyde","","","- C11 H13 Cl2 N O -","- C11 H13 Cl2 N O -","- C44 H52 Cl8 N4 O4 -","4","1","SU4089","Seethalakshmi, P.; Palanivel, C.","4-[Bis(2-chloroethyl)amino]benzaldehyde","IUCrData","2017","2","1","x162043","","10.1107/S2414314616020435","","","0.71073","MoKα","","0.0402","0.0378","","","0.0999","0.1025","","","","","","1.023","","","","has coordinates,has Fobs","190499","2020-10-21","18:00:00",""
"1545044","31.531","0.003","4.2752","0.0004","14.108","0.0013","90","","90","","90","","1901.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","2","VM4020","Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","1","x170028","","10.1107/S2414314617000281","","","1.54178","CuKα","","0.0796","0.0726","","","0.1771","0.1888","","","","","","1.096","","","","has coordinates,has Fobs","190500","2020-10-21","18:00:00",""
"1545045","24.588","0.005","10.147","0.002","24.582","0.005","90","","92.11","0.03","90","","6129","2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H23 Co F28 N4 O9 P3 Yb -","- C55 H23 Co F28 N4 O9 P3 Yb -","- C220 H92 Co4 F112 N16 O36 P12 Yb4 -","4","0.5","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0335","0.0286","","","0.0681","0.0719","","","","","","1.052","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545046","15.8901","0.0004","19.2041","0.0005","22.9477","0.0006","90","","90","","90","","7002.6","0.3","276.86","0.1","276.86","0.1","","","","","","","","9","C m c m","-C 2c 2","63","","","","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C228 H136 Cl20 Co4 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0524","0.0501","","","0.1492","0.1512","","","","","","1.111","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545047","12.2948","0.0003","14.0793","0.0003","16.6204","0.0004","72.8693","0.0019","73.873","0.002","77.72","0.002","2614.22","0.11","180.01","0.1","180.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C110 H50 Co2 D36 F16 N8 O18 P6 Yb2 -","2","1","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","x-ray","0.71073","MoKα","","0.0885","0.0762","","","0.1875","0.1999","","","","","","1.034","","","","has coordinates","195015","2020-10-21","18:00:00",""
"1545050","10.6431","0.0011","41.576","0.004","13.8546","0.0015","90","","110.763","0.005","90","","5732.5","1","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 F24 N8 O4 P4 -","- C49 H42 F24 N8 O4 P4 -","- C196 H168 F96 N32 O16 P16 -","4","1","","Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Radically promoted formation of a molecular lasso","Chem. Sci.","2017","8","4","2562","","10.1039/C6SC05035B","","","0.71073","MoKα","","0.1417","0.0945","","","0.2626","0.3014","","","","","","1.023","","","","has coordinates,has disorder","195011","2020-10-21","18:00:00",""
"1545055","15.1202","0.0007","5.6812","0.0003","19.0459","0.0008","90","","97.578","0.004","90","","1621.77","0.13","175","","175","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","2","","Berthet, Mathéo; Legrand, Baptiste; Martinez, Jean; Parrot, Isabelle","A General Approach to the Aza-Diketomorpholine Scaffold","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03656","","","1.54184","CuKα","","0.0635","0.0508","","0.0792","0.057","0.057","","","","","","1.0953","","","","has coordinates","190608","2020-10-21","18:00:00",""
"1545056","6.9175","0.0005","17.6267","0.0013","12.0029","0.0009","90","","91.017","0.001","90","","1463.32","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","","- C30 H16 Hg2 N6 S4 -","- C30 H16 Hg2 N6 S4 -","- C60 H32 Hg4 N12 S8 -","2","0.5","BH4022","Tan, Shuzhi; Liu, Leili; Du, Yongli","<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]","IUCrData","2017","2","1","x170059","","10.1107/S2414314617000591","","","0.71073","MoKα","","0.0354","0.0276","","","0.0592","0.0615","","","","","","1.016","","","","has coordinates,has Fobs","190610","2020-10-21","18:00:00",""
"1545057","7.0373","0.0004","20.7068","0.0014","8.4725","0.0006","90","","92.088","0.003","90","","1233.79","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","","- C15 H15 F O3 -","- C15 H15 F O3 -","- C60 H60 F4 O12 -","4","1","","Ayswariya, I.; Rajalakshmi, P.; Krishnakumar, R.V.; Srinivasan, N.","9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]","IUCrData","2017","2","1","x170045","","10.1107/S2414314617000451","","","0.71073","MoKα","","0.0952","0.0453","","","0.0953","0.1211","","","","","","1.005","","","","has coordinates,has Fobs","190611","2020-10-21","18:00:00",""
"1545066","9.3634","0.0006","5.3559","0.0003","13.9632","0.0008","90","","107.183","0.006","90","","668.99","0.07","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Lee, Melissa; Sanford, Melanie S.","Remote C(sp(3))-H Oxygenation of Protonated Aliphatic Amines with Potassium Persulfate.","Organic letters","2017","19","3","572","575","10.1021/acs.orglett.6b03731","","","1.54178","CuKα","","0.0628","0.0547","","","0.1525","0.1615","","","","","","0.975","","","","has coordinates","191386","2020-10-21","18:00:00",""
"1545067","8.5445","0.0001","9.1514","0.0002","19.7296","0.0004","90","","90","","90","","1542.74","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C64 H72 Cl4 N12 O4 -","4","1","","Maury, Julien; Zawodny, Wojciech; Clayden, Jonathan","Stereospecific Intramolecular Arylation of 2- and 3-Pyridyl Substituted Alkylamines via Configurationally Stable α-Pyridyl Organolithiums.","Organic letters","2017","19","3","472","475","10.1021/acs.orglett.6b03603","","","1.54178","CuKα","","0.0261","0.0247","","","0.0617","0.0623","","","","","","1.04","","","","has coordinates","191393","2020-10-21","18:00:00",""
"1545073","7.03255","0.00003","5.86684","0.00002","9.3856","0.00004","90","","90","","90","","387.239","0.003","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Ca O4 V -","- Ag Ca O4 V -","- Ag4 Ca4 O16 V4 -","4","0.5","","PANalytical","AgCaVO4 : structure solution from a benchtop X-ray powder diffractometer","Aeris Research Edition","2017","1","","1","2","","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","190700","2020-10-21","18:00:00",""
"1545087","11.0097","0.0003","13.4734","0.0003","18.182","0.0004","90","","97.777","0.002","90","","2672.28","0.11","294.98","0.11","294.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O -","- C36 H31 N O -","- C144 H124 N4 O4 -","4","1","","Tang, Junbin; Li, Shiqing; Liu, Zheng; Zhao, Yinsong; She, Zhijie; Kadam, Vilas D.; Gao, Ge; Lan, Jingbo; You, Jingsong","Cascade C-H Annulation of Aldoximes with Alkynes Using O2 as the Sole Oxidant: One-Pot Access to Multisubstituted Protoberberine Skeletons.","Organic letters","2017","19","3","604","607","10.1021/acs.orglett.6b03772","","x-ray","1.54184","CuKα","","0.0635","0.0534","","","0.1442","0.1572","","","","","","1.047","","","","has coordinates","191391","2020-10-21","18:00:00",""
"1545090","11.355","0.003","13.612","0.003","16.835","0.004","90","","90","","90","","2602.1","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl ((R)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-yl)oxy)(phenoxy)phosphoryl)-D-alaninate","","- C22 H29 F N3 O9 P -","- C22 H29 F N3 O9 P -","- C88 H116 F4 N12 O36 P4 -","4","1","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0575","0.0435","","","0.1022","0.1095","","","","","","1.008","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545091","5.2533","0.0002","12.0015","0.0005","16.3874","0.0007","74.879","0.002","84.088","0.002","80.148","0.002","980.85","0.07","100","2","100","2","","","","","","","","6","P 1","P 1","1","","isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-D-alaninate","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0368","0.0351","","","0.0865","0.0877","","","","","","0.989","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545092","19.2401","0.0006","7.48163","0.00017","19.9656","0.0006","90","","104.461","0.003","90","","2782.94","0.14","140","0.1","140","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0833","0.0852","","","","","","1.034","","","","has coordinates","193750","2020-10-21","18:00:00",""
"1545093","10.9092","0.0006","12.5543","0.0004","15.2599","0.0009","86.71","0.004","83.989","0.005","89.249","0.004","2074.99","0.18","100","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C54 H51 Cl O2 Ru -","- C54 H51 Cl O2 Ru -","- C108 H102 Cl2 O4 Ru2 -","2","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0629","0.0535","","","0.1404","0.1545","","","","","","1.09","","","","has coordinates,has disorder","193750","2020-10-21","18:00:00",""
"1545094","12.7416","0.0003","15.3629","0.0004","22.5851","0.0006","90","","90","","90","","4420.99","0.19","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C184 H200 Br4 Cl8 N12 O8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0214","0.0205","","","0.0506","0.0511","","","","","","1.044","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1545095","7.6802","0.0004","15.4523","0.0007","18.383","0.0009","90","","90","","90","","2181.63","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Br2 N2 P2 Pd -","- C18 H28 Br2 N2 P2 Pd -","- C72 H112 Br8 N8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0263","0.0246","","","0.0556","0.057","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545096","23.434","0.0011","10.7208","0.0005","10.6091","0.0005","90","","95.3448","0.0014","90","","2653.7","0.2","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H32 Br N3 O P2 Pd -","- C25 H32 Br N3 O P2 Pd -","- C100 H128 Br4 N12 O4 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0234","0.0229","","","0.0562","0.0566","","","","","","1.076","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545097","8.7715","0.0004","15.9157","0.0008","36.3389","0.0018","90","","90","","90","","5073.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O6 S2 -","- C26 H24 N2 O6 S2 -","- C208 H192 N16 O48 S16 -","8","2","","Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters","Chem. Sci.","2017","8","4","2811","","10.1039/C6SC05450A","","","0.71073","MoKα","","0.0542","0.042","","","0.0976","0.1043","","","","","","1.065","","","","has coordinates","195000","2020-10-21","18:00:00",""
"1545098","15.2642","0.0008","15.1883","0.0009","6.0321","0.0007","90","","96.7418","0.0016","90","","1388.8","0.2","300","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H14 S2 -","- C17 H14 S2 -","- C68 H56 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.03","0.0268","","","0.0655","0.0669","","","","","","1.015","","","","has coordinates","193408","2020-10-21","18:00:00",""
"1545099","9.1532","0.0005","6.0178","0.0003","11.7576","0.0007","90","","94.1913","0.0013","90","","645.9","0.06","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H12 S2 -","- C16 H12 S2 -","- C32 H24 S4 -","2","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.6893","synchrotron","","0.051","0.0369","","","0.0738","0.0774","","","","","","0.908","","","","has coordinates","193408","2020-10-21","18:00:00",""
"1545100","11.954","0.003","9.072","0.003","19.907","0.002","90","","101.38","0.03","90","","2116.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N2 O4 Zn2 -","- C50 H58 N2 O4 Zn2 -","- C100 H116 N4 O8 Zn4 -","2","0.5","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","0.71073","MoKα","","0.0716","0.0462","","","0.0791","0.0886","","","","","","1.024","","","","has coordinates,has disorder","193448","2020-10-21","18:00:00",""
"1545101","23.384","0.008","13.614","0.004","16.424","0.006","90","","105.23","0.03","90","","5045","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H70 N2 O4 Zn2 -","- C59 H70 N2 O4 Zn2 -","- C236 H280 N8 O16 Zn8 -","4","0.5","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","0.71073","MoKα","","0.0637","0.0434","","","0.1147","0.124","","","","","","0.969","","","","has coordinates,has disorder","193448","2020-10-21","18:00:00",""
"1545102","14.482","0.006","15.42","0.007","27.296","0.009","90","","90","","90","","6096","4","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N2 O2 Zn -","- C36 H44 N2 O2 Zn -","- C288 H352 N16 O16 Zn8 -","8","1","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","1.54184","CuKα","","0.1172","0.0648","","","0.1466","0.1808","","","","","","1.004","","","","has coordinates","193448","2020-10-21","18:00:00",""
"1545103","5.986","0.002","12.333","0.003","23.801","0.006","102.2","0.03","96.27","0.02","96.31","0.02","1691.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 N2 O2 Zn -","- C36 H56 N2 O2 Zn -","- C72 H112 N4 O4 Zn2 -","2","1","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","0.71073","MoKα","","0.0485","0.044","","","0.1105","0.1144","","","","","","1.037","","","","has coordinates","193448","2020-10-21","18:00:00",""
"1545104","12.7437","0.0007","15.8667","0.0007","21.9272","0.0009","74.729","0.002","86.099","0.002","68.806","0.003","3986","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.33 H40.67 B6 Cl0.67 Ir2 -","- C20.3333 H32.6667 B6 Cl0.666667 Ir2 -","- C122 H196 B36 Cl4 Ir12 -","6","3","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.1091","0.0534","","","0.1057","0.1307","","","","","","1.053","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545105","18.0776","0.0006","23.0282","0.0009","16.1926","0.0005","90","","90","","90","","6740.9","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H49 B5 Cl Ir3 -","- C30 H49 B5 Cl Ir3 -","- C240 H392 B40 Cl8 Ir24 -","8","1","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0899","0.0556","","","0.1158","0.1357","","","","","","1.114","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545106","33.2362","0.0007","10.6642","0.0002","16.7899","0.0004","90","","111.793","0.0008","90","","5525.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H82 B20 Cl2 Ir4 -","- C41 H82 B20 Cl2 Ir4 -","- C164 H328 B80 Cl8 Ir16 -","4","0.5","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0306","0.0236","","","0.0534","0.0561","","","","","","1.026","","","","has coordinates","193458","2020-10-21","18:00:00",""
"1545107","16.6847","0.0006","14.6954","0.0006","10.9866","0.0004","90","","90","","90","","2693.79","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H38 B10 Ir2 O2 -","- C20 H38 B10 Ir2 O2 -","- C80 H152 B40 Ir8 O8 -","4","0.5","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0477","0.0346","","","0.0858","0.0962","","","","","","1.137","","","","has coordinates,has disorder","193458","2020-10-21","18:00:00",""
"1545108","19.911","0.005","12.631","0.002","17.268","0.004","90","","103.586","0.007","90","","4221.3","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Au B6 Co2 P -","- C38 H54 Au B6 Co2 P -","- C152 H216 Au4 B24 Co8 P4 -","4","1","","Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal","Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.","Inorganic chemistry","2017","56","3","1524","1533","10.1021/acs.inorgchem.6b02626","","","0.71073","MoKα","","0.0692","0.0346","","","0.0676","0.0757","","","","","","0.916","","","","has coordinates","193458","2020-10-21","18:00:00",""
"1545109","7.9986","0.0016","10.37","0.002","11.701","0.002","106.83","0.03","106.02","0.03","104.49","0.03","833.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C30 H32 N8 O8 S2 -","2","1","","Chen, Lai; Zhu, Yu-Jie; Fan, Zhijin; Guo, Xiao-Feng; Zhang, Zhi-Ming; Xu, Jing-Hua; Song, Ying-Qi; Morzherin, Yury Yurievich; Belskaya, Nataliya P.; Bakulev, Vasiliy A.","Synthesis of 1,2,3-Thiadizole and Thiazole Based Strobilurins as Potent Fungicide Candidates.","Journal of agricultural and food chemistry","2017","","","","","10.1021/acs.jafc.6b05128","","","0.71073","MoKα","","0.0483","0.0359","","","0.101","0.1058","","","","","","1.029","","","","has coordinates","190790","2020-10-21","18:00:00",""
"1545110","9.7966","0.0006","10.1428","0.0007","13.7518","0.001","106.645","0.006","99.595","0.006","109.141","0.006","1184.44","0.17","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N2 O4 S -","- C27 H29 N2 O4 S -","- C54 H58 N4 O8 S2 -","2","1","","Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping","Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy.","Organic letters","2017","19","3","620","623","10.1021/acs.orglett.6b03778","","","0.71073","MoKα","","0.1056","0.0686","","","0.1773","0.2132","","","","","","1.052","","","","has coordinates","191388","2020-10-21","18:00:00",""
"1545111","11.608","","11.634","","4.634","","90","","90","","90","","625.81","","293","","293","","16.5","","16.5","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 16.5 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0909","0.0909","","","0.0638","0.0638","","","","4.93","4.93","4.93","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545112","11.6146","","11.6256","","4.6341","","90","","90","","90","","625.727","","293","","293","","","","17.4","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 17.4 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0989","0.0989","","","0.0796","0.0796","","","","4.11","4.11","4.11","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545113","11.5313","","11.6527","","4.6109","","90","","90","","90","","619.57","","293","","293","","18.2","","18.2","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 18.2 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0928","0.0928","","","0.0658","0.0658","","","","1.04","1.04","1.04","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545114","11.5457","","11.5882","","4.599","","90","","90","","90","","615.318","","293","","293","","18.5","","18.5","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 18.5 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.1531","0.1531","","","0.1046","0.1046","","","","3.97","3.97","3.97","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545115","11.4996","","11.5527","","4.6035","","90","","90","","90","","611.582","","293","","293","","19","","19","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 19.0 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.1441","0.1441","","","0.0963","0.0963","","","","1.62","1.62","1.62","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545116","11.439","0.003","11.53","0.007","4.5937","0.0014","90","","90","","90","","605.9","0.4","293","","293","","19.6","","19.6","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 19.6 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0966","0.0966","","","0.0673","0.0673","","","","1.26","1.26","1.26","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545117","7.4379","0.0004","18.736","0.0011","25.4469","0.0014","90","","90","","90","","3546.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C160 H112 Br16 N16 O16 -","8","1","","Dekar, Souad; Bendia, Sabrina; Ouari, Kamel","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","IUCrData","2017","2","1","x170077","","10.1107/S2414314617000773","","","0.71073","MoKα","","0.0597","0.0365","","","0.0665","0.0722","","","","","","1.041","","","","has coordinates,has Fobs","190802","2020-10-21","18:00:00",""
"1545118","9.2966","0.0004","23.0723","0.0011","9.8089","0.0004","90","","109.663","0.001","90","","1981.26","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C25 H15 Br N2 S -","- C25 H15 Br N2 S -","- C100 H60 Br4 N8 S4 -","4","1","SU4124","Kavitha, T.; Mayakrishnan, Sivakalai; Perumal, T. Paramasivam; Suvasini, Chandramouleeswaran; Lakshmi, Srinivasakannan","2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","IUCrData","2017","2","1","x170089","","10.1107/S241431461700089X","","","0.71073","MoKα","","0.0528","0.033","","","0.0841","0.0975","","","","","","1.037","","","","has coordinates,has Fobs","190803","2020-10-21","18:00:00",""
"1545119","26.0266","0.0007","27.9405","0.0008","28.5247","0.0008","90","","90","","90","","20743.1","1","173","","172.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Au34(SC6H11)22","","- C132 H242 Au34 S22 -","- C132 H242 Au34 S22 -","- C528 H968 Au136 S88 -","4","0.5","","Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun","A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.","Nanoscale","2017","9","11","3742","3746","10.1039/c6nr09724c","","","1.54178","CuKα","","0.0537","0.0494","","","0.1314","0.1353","","","","","","1.05","","","","has coordinates","195147","2020-10-21","18:00:00",""
"1545120","20.6257","0.0011","20.7452","0.0011","30.3877","0.0016","78.427","0.003","80.789","0.003","62.667","0.002","11281.4","1.1","173","","172.99","","","","","","","","","4","P -1","-P 1","2","","Au42(SC6H11)26","","- C156 H286 Au42 S26 -","- C156 H283 Au42 S26 -","- C312 H566 Au84 S52 -","2","1","","Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun","A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.","Nanoscale","2017","9","11","3742","3746","10.1039/c6nr09724c","","","1.54178","CuKα","","0.1989","0.1663","","","0.3875","0.4088","","","","","","1.514","","","","has coordinates","195147","2020-10-21","18:00:00",""
"1545126","11.8767","0.0003","9.3428","0.0003","16.2435","0.0005","90","","113.85","0.002","90","","1648.49","0.09","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","0.71073","MoKα","","0.0655","0.0479","","","0.1104","0.1193","","","","","","1.043","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545127","13.1824","0.0002","15.15072","0.00019","8.32489","0.00011","90","","98.5002","0.0013","90","","1644.41","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0275","0.0273","","","0.0712","0.0715","","","","","","1.062","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545128","8.5769","0.0003","9.1101","0.0003","11.523","0.0004","78.724","0.002","76.207","0.002","81.728","0.002","853.04","0.05","173.15","0.1","173.15","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","0.71073","MoKα","","0.0579","0.0491","","","0.1191","0.1271","","","","","","1.052","","","","has coordinates,has disorder","193526","2020-10-21","18:00:00",""
"1545129","5.18734","0.00007","20.1639","0.0002","21.6358","0.0002","90","","90","","90","","2263.04","0.04","123.01","0.02","123.01","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O5 -","- C26 H30 O5 -","- C104 H120 O20 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0369","0.0348","","","0.0949","0.0968","","","","","","1.042","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545136","13.9189","0.0005","13.9189","0.0005","12.9169","0.0005","90","","90","","90","","2502.47","0.16","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H6 Br F3 O3 S -","- C11 H6 Br F3 O3 S -","- C88 H48 Br8 F24 O24 S8 -","8","1","","Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.","Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.","Organic letters","2017","19","3","638","641","10.1021/acs.orglett.6b03806","","","0.71073","MoKα","","0.0313","0.0261","","","0.0591","0.0609","","","","","","1.065","","","","has coordinates","191387","2020-10-21","18:00:00",""
"1545137","14.8431","0.0013","15.2118","0.0014","15.2461","0.0015","119.302","0.003","106.276","0.002","96.536","0.001","2749.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H43 Cl F15 N4 -","- C60.5 H43 Cl F15 N4 -","- C121 H86 Cl2 F30 N8 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1437","0.0668","","","0.172","0.2104","","","","","","0.925","","","","has coordinates","191389","2020-10-21","18:00:00",""
"1545138","13.8688","0.0012","15.3205","0.0013","15.3261","0.0015","119.469","0.003","93.117","0.001","105.428","0.002","2665.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H39 F15 N4 -","- C59 H42 F15 N4 -","- C118 H84 F30 N8 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1453","0.0834","","","0.2294","0.2746","","","","","","0.957","","","","has coordinates","191389","2020-10-21","18:00:00",""
"1545139","12.5205","0.0012","14.7808","0.0013","15.1296","0.0014","111.361","0.003","106.737","0.002","99.702","0.001","2376.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H24.5 Cl0.5 F15 N4 O -","- C52 H23.5 Cl0.5 F15 N4 O -","- C104 H47 Cl F30 N8 O2 -","2","1","","Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu","Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.","Organic letters","2017","19","3","650","653","10.1021/acs.orglett.6b03816","","","0.71073","MoKα","","0.1591","0.0925","","","0.2659","0.3166","","","","","","1.042","","","","has coordinates,has disorder","191389","2020-10-21","18:00:00",""
"1545140","12.8025","0.0011","25.114","0.002","15.641","0.0014","90","","105.965","0.001","90","","4835","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Br F N4 O4.5 -","- C28 H20 Br F N4 O4.5 -","- C224 H160 Br8 F8 N32 O36 -","8","2","","Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane.","Organic letters","2017","19","3","646","649","10.1021/acs.orglett.6b03815","","","0.71073","MoKα","","0.0791","0.0539","","","0.1386","0.153","","","","","","1.026","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545141","8.2891","0.0011","10.319","0.0014","10.7253","0.0015","62.243","0.002","79.445","0.002","71.467","0.002","769.05","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br N3 O2 -","- C18 H14 Br N3 O2 -","- C36 H28 Br2 N6 O4 -","2","1","","Wang, Xiao; Yang, Peng; Zhang, Yong; Tang, Chao-Zhe; Tian, Fang; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Abnormal [3 + 2]-Cycloaddition with Maleimide in the Presence of 1,4-Diazabicyclo[2.2.2]octane.","Organic letters","2017","19","3","646","649","10.1021/acs.orglett.6b03815","","","0.71073","MoKα","","0.0331","0.0294","","","0.0814","0.0832","","","","","","1.069","","","","has coordinates","191392","2020-10-21","18:00:00",""
"1545142","6.5882","0.0003","19.6254","0.0008","14.7997","0.0006","90","","94.733","0.005","90","","1907.02","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 N3 -","- C51 H36 N3 -","- C102 H72 N6 -","2","0.5","","Zhang, Zhenhao; Pi, Chao; Tong, Heng; Cui, Xiuling; Wu, Yangjie","Iodine-Catalyzed Direct C‒H Alkenylation of Azaheterocycle N-Oxides with Alkenes","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03399","","x-ray","0.71073","MoKα","","0.1105","0.0619","","","0.1454","0.1752","","","","","","1.034","","","","has coordinates","190858","2020-10-21","18:00:00",""
"1545143","5.8387","0.0001","15.6232","0.0003","25.7309","0.0006","90","","90","","90","","2347.15","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 O2 -","- C31 H28 O2 -","- C124 H112 O8 -","4","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0445","0.0395","","","0.0904","0.0928","","","","","","0.99","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545144","12.8937","0.0002","6.0514","0.0001","14.068","0.0002","90","","107.517","0.001","90","","1046.75","0.03","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0383","0.0379","","","0.0942","0.0948","","","","","","1.057","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545147","10.831","0.002","14.3307","0.0019","16.615","0.003","90","","90","","90","","2578.9","0.7","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 N3 O6 -","- C27 H37 N3 O6 -","- C108 H148 N12 O24 -","4","1","","Zhang, Dewu; Zhao, Lili; Wang, Lining; Fang, Xiaomei; Zhao, Jianyuan; Wang, Xinwei; Li, Li; Liu, Hongyu; Wei, Yuzhen; You, Xuefu; Cen, Shan; Yu, Liyan","Griseofulvin Derivative and Indole Alkaloids from Penicillium griseofulvum CPCC 400528.","Journal of natural products","2017","80","2","371","376","10.1021/acs.jnatprod.6b00829","","","1.54178","CuKα","","0.0435","0.0411","","","0.1079","0.1107","","","","","","1.033","","","","has coordinates","193528","2020-10-21","18:00:00",""
"1545148","4.7766","0.0002","41.019","0.0013","12.2047","0.0004","90","","94.6748","0.0017","90","","2383.33","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 O8 -","- C44 H52 O8 -","- C88 H104 O16 -","2","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1218","0.11","","","0.2433","0.2508","","","","","","1.093","","","","has coordinates","193606","2020-10-21","18:00:00",""
"1545160","12.0468","0.0011","6.2442","0.0004","16.9384","0.0013","90","","109.936","0.01","90","","1197.8","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","","Garkhedkar, Amol Milind; Senadi, Gopal Chandru; Wang, Jeh-Jeng","ZnBr2-Mediated Cascade Reaction of o-Alkoxy Alkynols: Synthesis of Indeno[1,2-c]chromenes.","Organic letters","2017","19","3","488","491","10.1021/acs.orglett.6b03642","","x-ray","0.71073","MoKα","","0.1008","0.0672","","","0.1535","0.18","","","","","","1.029","","","","has coordinates","191390","2020-10-21","18:00:00",""
"1545161","5.0158","0.0003","12.9738","0.0011","21.6829","0.0017","93.089","0.007","94.326","0.005","93.543","0.006","1401.85","0.18","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","2","","Garkhedkar, Amol Milind; Senadi, Gopal Chandru; Wang, Jeh-Jeng","ZnBr2-Mediated Cascade Reaction of o-Alkoxy Alkynols: Synthesis of Indeno[1,2-c]chromenes.","Organic letters","2017","19","3","488","491","10.1021/acs.orglett.6b03642","","x-ray","0.71073","MoKα","","0.1222","0.0704","","","0.1652","0.2018","","","","","","1.043","","","","has coordinates","191390","2020-10-21","18:00:00",""
"1545162","9.302","0.0002","9.7698","0.0002","16.9249","0.0004","84.505","0.001","86.765","0.001","71.597","0.001","1452.19","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","1","1","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.54178","CuKα","","0.0513","0.0503","","","0.1414","0.1423","","","","","","1.289","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545163","13.6336","0.0003","14.6369","0.0003","33.2755","0.0007","90","","89.215","0.002","90","","6639.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H93 N11 O11 -","- C55 H93 N11 O11 -","- C220 H372 N44 O44 -","4","2","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.5418","CuKα","","0.1879","0.1544","","","0.3885","0.4276","","","","","","1.383","","","","has coordinates","196341","2020-10-21","18:00:00",""
"1545164","18.9838","0.0007","9.0762","0.0003","9.3006","0.0003","90","","97.114","0.002","90","","1590.16","0.09","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Li, Tian-Ze; Geng, Chang-An; Yin, Xiu-Juan; Yang, Tong-Hua; Chen, Xing-Long; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Chen, Ji-Jun","Catalytic Asymmetric Total Synthesis of (+)- and (−)-Paeoveitol via a Hetero-Diels‒Alder Reaction","Organic Letters","2017","","","","","10.1021/acs.orglett.6b03801","","","1.54178","CuKα","","0.1481","0.1469","","","0.3267","0.3289","","","","","","1.582","","","","has coordinates","190992","2020-10-21","18:00:00",""
"1545165","18.8804","0.0008","7.5624","0.0003","18.9543","0.0008","90","","97.589","0.007","90","","2682.6","0.2","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O2 Si -","- C22 H34 N2 O2 Si -","- C88 H136 N8 O8 Si4 -","4","2","","Liu, Zijian; Takeuchi, Toshifumi; Pluta, Roman; Arteaga Arteaga, Fernando; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Alkylamides.","Organic letters","2017","19","3","710","713","10.1021/acs.orglett.6b03890","","","1.54187","CuKα","","0.0959","0.0649","","","0.1825","0.2095","","","","","","0.948","","","","has coordinates,has disorder","191394","2020-10-21","18:00:00",""
"1545166","9.9986","0.0015","18.897","0.003","12.05","0.0019","90","","91.502","0.006","90","","2276","0.6","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H57 F7 N3 O12 P -","- C41 H57 F7 N3 O12 P -","- C82 H114 F14 N6 O24 P2 -","2","1","","Saito, Fumito; Bode, Jeffrey W.","Synthesis and stabilities of peptide-based [1]rotaxanes: molecular grafting onto lasso peptide scaffolds","Chem. Sci.","2017","8","4","2878","","10.1039/C7SC00021A","","x-ray","0.71073","MoKα","","0.0486","0.0366","","","0.0686","0.0732","","","","","","1.013","","","","has coordinates","195002","2020-10-21","18:00:00",""
"1545167","14.144","0.003","12.445","0.003","14.545","0.003","90","","91.32","0.03","90","","2559.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22.5 N6 O6.25 -","- C25 H22.5 N6 O6.25 -","- C100 H90 N24 O25 -","4","1","","Li, Wenfang; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Wang, Wei; Yang, Bing; Liu, Junqiu; Dong, Zeyuan","A folding-directed catalytic microenvironment in helical dynamic covalent polymers formed by spontaneous configuration control","Polym. Chem.","2017","8","8","1294","","10.1039/C6PY02200F","","","0.71073","MoKα","","0.1561","0.0728","","","0.2281","0.2663","","","","","","0.817","","","","has coordinates","193919","2020-10-21","18:00:00",""
"1545168","6.0518","0.0006","7.3418","0.0006","8.6695","0.0006","68.482","0.002","67.375","0.003","69.41","0.003","320.67","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N S2 -","- C15 H15 N S2 -","- C15 H15 N S2 -","1","0.5","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study.","The journal of physical chemistry. A","2017","121","5","977","985","10.1021/acs.jpca.6b12287","","","0.71075","MoKα","","","0.0505","","","","0.0545","","","","","","0.999","","","","has coordinates","193604","2020-10-21","18:00:00",""
"1545169","5.9062","0.0003","9.1377","0.0004","13.7532","0.0006","90","","90.423","0.002","90","","742.23","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-R-1-(benzyloxy)-5,5-dichloro-6-methylhept-2-yn-4-ol","","- C15 H18 Cl2 O2 -","- C15 H18 Cl2 O2 -","- C30 H36 Cl4 O4 -","2","1","","Sempere Molina, Yeshua; Ruchti, Jonathan; Carreira, Erick M.","Enantioselective Addition of Alkynes to α,α-Dichlorinated Aldehydes.","Organic letters","2017","19","4","743","745","10.1021/acs.orglett.6b03692","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0668","0.0689","","","","","","0.975","","","","has coordinates","193642","2020-10-21","18:00:00",""
"1545171","32.711","0.005","5.6403","0.0007","9.9643","0.0013","90","","107.296","0.003","90","","1755.3","0.4","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","Tsuchida-02","","","- C20 H17 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0496","0.0396","","","0.0972","0.1313","","","","","","1.241","","","","has coordinates","193647","2020-10-21","18:00:00",""
"1545172","10.5646","0.0016","6.8915","0.001","12.256","0.0017","90","","95.573","0.005","90","","888.1","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H17 Ag Cl N3 O S -","- C17 H17 Ag Cl N3 O S -","- C34 H34 Ag2 Cl2 N6 O2 S2 -","2","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.0712","0.05","","","0.1114","0.1215","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545173","9.6951","0.0015","5.6063","0.0009","17.751","0.003","90","","104.564","0.0019","90","","933.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 S2 -","- C28 H16 S2 -","- C56 H32 S4 -","2","0.5","","Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.","Organic letters","2017","19","4","826","829","10.1021/acs.orglett.6b03819","","","0.71073","MoKα","","0.0599","0.047","","","0.0951","0.1001","","","","","","1.101","","","","has coordinates,has disorder","193643","2020-10-21","18:00:00",""
"1545174","13.0121","0.001","5.2339","0.0004","19.82","0.0016","90","","90","","90","","1349.82","0.18","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 B Cl O3 -","- C15 H12 B Cl O3 -","- C60 H48 B4 Cl4 O12 -","4","1","","Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta","Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids.","Chemical science","2017","8","4","3026","3030","10.1039/c6sc04522g","","","0.71073","MoKα","","0.0551","0.0394","","","0.1151","0.1266","","","","","","0.969","","","","has coordinates","196337","2020-10-21","18:00:00",""
"1545175","9.16074","0.00006","6.01447","0.00004","10.6243","0.0001","90","","92.073","0.001","90","","584.984","0.008","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(2S,3R,3aR,7aS)-5-Oxo-2-phenylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0714","0.0716","","","","","","1.073","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545176","5.5604","0.0001","6.6895","0.0001","33.0826","0.0005","90","","90","","90","","1230.55","0.03","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2R,3S,3aR,7aS)-5-Oxo-2-pentylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0702","0.0711","","","","","","1.088","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545177","8.9615","0.00009","10.02283","0.0001","17.71277","0.00019","90","","90","","90","","1590.95","0.03","100.01","0.1","100.15","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aS,7aR)-3-(1,3-dioxolan-2-yl)-2-phenyltetrahydro-4H,6H-spiro[furo[2,3-b]pyran-5,2'-[1,3]dioxolane]","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","","1.54184","CuKα","","0.0255","0.0246","","","0.0631","0.0638","","","","","","1.0626","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1545178","6.8159","0.0003","9.972","0.0005","17.7839","0.0008","90","","98.748","0.002","90","","1194.68","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0312","0.0307","","","0.0865","0.0868","","","","","","1.109","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545179","15.3538","0.0006","4.3958","0.0002","17.1443","0.0006","90","","112.351","0.001","90","","1070.18","0.07","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br N5 O S -","- C8 H8 Br N5 O S -","- C32 H32 Br4 N20 O4 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0227","0.0218","","","0.0555","0.0562","","","","","","1.079","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545180","8.0883","0.0002","10.9716","0.0003","16.0771","0.0004","72.07","0.001","80.273","0.001","86.279","0.002","1337.78","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H15.5 N4 O6.75 S -","- C10 H15.5 N4 O6.75 S -","- C40 H62 N16 O27 S4 -","4","4","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0311","0.0286","","","0.0758","0.0773","","","","","","1.025","","","","has coordinates","196338","2020-10-21","18:00:00",""
"1545181","8.598","0.0001","8.598","0.0001","10.5541","0.0002","90","","90","","90","","780.22","0.02","293","2","200","2","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- C2.5 H2.5 Np0.12 -","- C2.5 H2.5 Np0.125 -","- C40 H40 Np2 -","16","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0083","0.0083","","","0.0187","0.0187","","","","","","1.116","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545182","22.6093","0.001","14.7125","0.001","9.0155","0.0005","90","","90.415","0.001","90","","2998.8","0.3","100","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H35 K1.5 Np1.5 O0.5 -","- C32 H30 K1.5 Np1.5 O0.5 -","- C128 H120 K6 Np6 O2 -","4","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0399","0.033","","","0.0753","0.0783","","","","","","1.062","","","","has coordinates,has disorder","195014","2020-10-21","18:00:00",""
"1545183","14.1208","0.0006","8.7037","0.0006","9.5917","0.0005","90","","90","","90","","1178.85","0.11","100","2","173","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C15 H15 Np -","- C15 H15 Np -","- C60 H60 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0145","0.0141","","","0.0355","0.0359","","","","","","1.033","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545184","13.6966","0.0015","8.3864","0.0009","14.6562","0.0016","90","","90","","90","","1683.5","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N2 Np -","- C19 H21 N2 Np -","- C76 H84 N8 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0562","0.0237","","","0.0374","0.0431","","","","","","1.053","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545185","8.298","0.0006","22.1664","0.0017","28.917","0.002","90","","90","","90","","5318.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Np Si3 -","- C24 H39 Np Si3 -","- C192 H312 Np8 Si24 -","8","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0866","0.0393","","","0.049","0.0567","","","","","","1.027","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545186","24.664","0.0003","24.664","0.0003","24.664","0.0003","90","","90","","90","","15003.4","0.3","323","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 H600 Na56 O684 Si136 -","- Al55.9872 Na55.5917 O505.505 Sa6.64096 Si136.013 -","- Al55.9872 Na55.5917 O505.505 Sa6.64096 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193605","2020-10-21","18:00:00",""
"1545187","10.953","0.0002","26.2844","0.0006","9.7874","0.0002","90","","105.706","0.0014","90","","2712.52","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O4 S2 -","- C32 H27 N O4 S2 -","- C128 H108 N4 O16 S8 -","4","1","","Sinclair, Geoffrey S.; Yang, Tianyu; Wang, Sunmeng; Chen, Wei H.; Schipper, Derek J.","Copper-Mediated Nucleophilic Addition/Cascade Cyclization of Aryl Diynes.","Organic letters","2017","19","4","802","805","10.1021/acs.orglett.6b03787","","","0.71073","MoKα","","0.1839","0.0637","","","0.0923","0.1279","","","","","","1.042","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545188","32.921","0.007","11.658","0.002","20.29","0.004","90","","118.58","0.03","90","","6838","3","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl3 N2 O3 P S -","- C35 H30 Cl3 N2 O3 P S -","- C280 H240 Cl24 N16 O24 P8 S8 -","8","1","","Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun","Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles.","Organic letters","2017","19","4","782","785","10.1021/acs.orglett.6b03752","","","0.71073","MoKα","","0.1042","0.061","","","0.1582","0.1836","","","","","","1.036","","","","has coordinates,has disorder","193648","2020-10-21","18:00:00",""
"1545189","11.1099","0.0008","11.0682","0.0008","17.9212","0.0013","90","","99.233","0.001","90","","2175.2","0.3","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Zhou, Yong; Xia, Zi-Lei; Gu, Qing; You, Shu-Li","Chiral Phosphoric Acid Catalyzed Intramolecular Dearomative Michael Addition of Indoles to Enones.","Organic letters","2017","19","4","762","765","10.1021/acs.orglett.6b03610","","","0.71073","MoKα","","0.0532","0.0416","","","0.0955","0.1037","","","","","","1.021","","","","has coordinates","193649","2020-10-21","18:00:00",""
"1545190","10.65","0.001","10.65","0.001","10.65","0.001","90","","90","","90","","1207.9","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7 at 1173 K","","","- Eu2 O7 Zr2 -","- Eu1.968 O6.996 Zr2.036 -","- Eu15.744 O55.968 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191200","2020-10-21","18:00:00",""
"1545191","10.546","0.001","10.546","0.001","10.546","0.001","90","","90","","90","","1172.91","0.19","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Eu2Zr2O7","","","- Eu2 O7 Zr2 -","- Eu1.968 O7 Zr2.036 -","- Eu15.744 O56 Zr16.288 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: Eu2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191201","2020-10-21","18:00:00",""
"1545192","10.816","0.001","10.816","0.001","10.816","0.001","90","","90","","90","","1265.3","0.2","","","298","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7","","","- La2 O7 Zr2 -","- La2.0604 O6.998 Zr1.94 -","- La16.4832 O55.984 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 298 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191202","2020-10-21","18:00:00",""
"1545193","10.904","0.001","10.904","0.001","10.904","0.001","90","","90","","90","","1296.5","0.2","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","La2Zr2O7 at 1173 K","","","- La2 O7 Zr2 -","- La2.0604 O7 Zr1.94 -","- La16.4832 O56 Zr15.52 -","8","","","Hagiwara, T.; Nomura, K.; Kageyama, H.","Crystal structure analysis of Ln2Zr2O7 (Ln = Eu and La) with a pyrochlore composition by high-temperature powder X-ray diffraction Note: La2Zr2O7 at 1173 K","Journal of the Ceramic Society of Japan","2017","125","","65","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","191203","2020-10-21","18:00:00",""
"1545197","8.7141","0.0002","9.0869","0.0002","20.7089","0.0004","90","","90","","90","","1639.82","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0396","0.0369","","","0.0929","0.095","","","","","","1.048","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545198","9.9833","0.0005","12.0569","0.0008","16.3459","0.0013","90","","90","","90","","1967.5","0.2","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0339","0.0336","","","0.093","0.0933","","","","","","1.357","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545199","28.4985","0.0009","11.4777","0.0004","9.0995","0.0003","90","","103.188","0.001","90","","2897.92","0.17","215","2","215","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 Cl N O -","- C16 H16 Cl N O -","- C128 H128 Cl8 N8 O8 -","8","2","","Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.","Desulfurative Chlorination of Alkyl Phenyl Sulfides.","Organic letters","2017","19","4","918","921","10.1021/acs.orglett.7b00077","","","1.54178","CuKα","","0.0438","0.0423","","","0.1148","0.1166","","","","","","1.061","","","","has coordinates,has disorder","193644","2020-10-21","18:00:00",""
"1545200","16.6863","0.0007","4.1596","0.0002","12.8685","0.0006","90","","90","","90","","893.18","0.07","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H7 Cl O3 -","- C10 H7 Cl O3 -","- C40 H28 Cl4 O12 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0487","0.0437","","","0.1113","0.1338","","","","","","1.188","","","","has coordinates","191276","2020-10-21","18:00:00",""
"1545201","7.403","0.003","8.932","0.005","20.101","0.008","90","","90","0.008","90","","1329.2","1.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C44 H88 N8 O16 -","4","1","","Wei, Wendi; Lin, Sheng; Chen, Minghua; Liu, Tianxi; Wang, Ali; Li, Jinjie; Guo, Qinglan; Shang, Xiaoya","Monascustin, an Unusual γ-Lactam from Red Yeast Rice.","Journal of natural products","2017","80","1","201","204","10.1021/acs.jnatprod.6b00493","","","1.54187","CuKα","","0.0401","0.037","","","0.0982","0.1021","","","","","","1.114","","","","has coordinates","191277","2020-10-21","18:00:00",""
"1545202","7.46453","0.00007","14.64416","0.00012","8.31421","0.00009","90","","109.825","0.0011","90","","854.979","0.015","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C36 H40 O16 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0701","0.0701","","","","","","1.058","","","","has coordinates","191278","2020-10-21","18:00:00",""
"1545203","15.6531","0.0009","11.2507","0.0009","17.5258","0.0012","90","","108.232","0.007","90","","2931.5","0.4","289.97","0.1","289.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N Na O8 S -","- C30 H36 N Na O8 S -","- C120 H144 N4 Na4 O32 S4 -","4","1","","Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes","Macromolecules","2017","50","1","83","","10.1021/acs.macromol.6b02271","","x-ray","0.71","MoKα","","0.1682","0.1572","","","0.3291","0.3337","","","","","","1.149","","","","has coordinates,has disorder","191282","2020-10-21","18:00:00",""
"1545204","10.0437","0.0004","16.2163","0.0008","15.9031","0.0007","90","","107.785","0.005","90","","2466.4","0.2","293.6","0.1","293.6","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Br N2 O2 S -","- C28 H23 Br N2 O2 S -","- C112 H92 Br4 N8 O8 S4 -","4","1","","Chen, Wei; Bai, Ya-Li; Luo, Yong-Chun; Xu, Peng-Fei","Rh(II) Catalyzed High Order Cycloadditions of 8-Azaheptafulvenes with N-Sulfonyl 1,2,3-Triazloes or α-Oxo Diazocompounds.","Organic letters","2017","19","2","364","367","10.1021/acs.orglett.6b03542","","x-ray","0.71073","MoKα","","0.097","0.0472","","","0.0757","0.0938","","","","","","1.004","","","","has coordinates","191296","2020-10-21","18:00:00",""
"1545205","9.5799","0.0013","10.7564","0.0019","13.2894","0.0017","81.768","0.011","69.424","0.007","87.01","0.011","1268.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O3 S2 -","- C26 H28 Br N O3 S2 -","- C52 H56 Br2 N2 O6 S4 -","2","1","","Jia, Penghao; Zhang, Qinglong; Jin, Hongxing; Huang, You","[3 + 2]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hydroindol-5-ones Containing a Methylthio Group.","Organic letters","2017","19","2","412","415","10.1021/acs.orglett.6b03667","","","0.71073","MoKα","","0.0349","0.0281","","","0.0742","0.0755","","","","","","1.081","","","","has coordinates","191297","2020-10-21","18:00:00",""
"1545206","16.9672","0.0019","16.6921","0.0019","21.14","0.003","90","","90","","90","","5987.2","1.3","173.15","","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N7 O9 S -","- C28 H33 N7 O9 S -","- C224 H264 N56 O72 S8 -","8","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0643","0.064","","","0.1531","0.1533","","","","","","1.285","","","","has coordinates","191298","2020-10-21","18:00:00",""
"1545207","13.313","0.0007","8.0185","0.0004","19.7281","0.0017","90","","98.183","0.006","90","","2084.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","1","","Li, Chen-Guang; Xu, Guo-Qiang; Xu, Peng-Fei","Synthesis of Fused Pyran Derivatives via Visible-Light-Induced Cascade Cyclization of 1,7-Enynes with Acyl Chlorides.","Organic letters","2017","19","3","512","515","10.1021/acs.orglett.6b03684","","","0.71073","MoKα","","0.125","0.066","","","0.1374","0.1786","","","","","","1.042","","","","has coordinates","191299","2020-10-21","18:00:00",""
"1545208","7.207","0.0003","12.3158","0.0006","13.4327","0.0006","90","","93.4145","0.0012","90","","1190.17","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 F3 O2 S -","- C14 H7 F3 O2 S -","- C56 H28 F12 O8 S4 -","4","1","","Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.","Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.","Organic letters","2017","19","3","638","641","10.1021/acs.orglett.6b03806","","","0.71073","MoKα","","0.0383","0.0349","","","0.0927","0.096","","","","","","1.053","","","","has coordinates","191300","2020-10-21","18:00:00",""
"1545209","7.8022","0.001","9.7161","0.0012","10.898","0.0013","72.849","0.011","74.617","0.011","74.654","0.011","745.38","0.17","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N5 O -","- C13 H25 N5 O -","- C26 H50 N10 O2 -","2","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","x-ray","0.71073","MoKα","","0.0816","0.0507","","","0.114","0.1357","","","","","","1.041","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1545210","14.5899","0.0006","10.9383","0.0003","21.1354","0.0011","90","","108.045","0.005","90","","3207.1","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N5 O3 S -","- C14 H19 N5 O3 S -","- C112 H152 N40 O24 S8 -","8","2","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.7107","MoKα","","0.0875","0.0602","","","0.1311","0.1454","","","","","","1.077","","","","has coordinates,has disorder","204128","2020-10-21","18:00:00",""
"1545211","11.5604","0.0003","7.8775","0.0002","15.7761","0.0005","90","","92.698","0.003","90","","1435.09","0.07","130","0.1","130","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.71073","MoKα","","0.0485","0.0446","","","0.1238","0.1268","","","","","","1.096","","","","has coordinates","191303","2020-10-21","18:00:00",""
"1545212","6.272","0.0005","7.7404","0.0006","40.175","0.003","90","","90","","90","","1950.4","0.3","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C84 H108 Br4 O16 -","4","1","","Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping","Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy.","Organic letters","2017","19","3","620","623","10.1021/acs.orglett.6b03778","","","0.71073","MoKα","","0.0579","0.0434","","","0.0727","0.0783","","","","","","1.039","","","","has coordinates","191304","2020-10-21","18:00:00",""
"1545213","12.0745","0.0003","23.3538","0.0007","5.9816","0.0002","90","","90","","90","","1686.72","0.09","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H49 N O6 -","- C40 H49 N O6 -","- C80 H98 N2 O12 -","2","0.5","","Huang, Xing-Hao; Tao, Ling-Xue; Ke, Chang-Qiang; Tang, Chunping; Zhang, Hai-Yan; Ye, Yang; Lin, Li-Gen; Yao, Sheng","Taxodikaloids A and B, Two Dimeric Abietane-Type Diterpenoids from Taxodium ascendens Possessing an Oxazoline Ring Linkage.","Organic letters","2017","19","3","556","559","10.1021/acs.orglett.6b03597","","","1.54184","CuKα","","0.0795","0.0733","","","0.2051","0.2116","","","","","","1.079","","","","has coordinates,has disorder","191305","2020-10-21","18:00:00",""
"1545214","9.831","0.002","11.92","0.002","16.719","0.003","90","","96.95","0.03","90","","1944.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Hu, Weigao; Li, Jiawei; Xu, Yanli; Li, Jianxiao; Wu, Wanqing; Liu, Haiyang; Jiang, Huanfeng","Palladium-Catalyzed Redox-Neutral N-O/C(sp(3))-H Functionalization of Aryl Oximes with Isocyanides.","Organic letters","2017","19","3","678","681","10.1021/acs.orglett.6b03852","","","0.71073","MoKα","","0.1173","0.064","","","0.1761","0.2392","","","","","","1.105","","","","has coordinates","191306","2020-10-21","18:00:00",""
"1545215","15.8881","0.0009","5.8634","0.0003","21.5649","0.0012","90","","92.342","0.006","90","","2007.27","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 N O7.5 -","- C21.5 H21 N O7.5 -","- C86 H84 N4 O30 -","4","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.1115","0.0592","","","0.1302","0.1594","","","","","","1.034","","","","has coordinates,has disorder","193653","2020-10-21","18:00:00",""
"1545216","9.2043","0.0012","19.51","0.003","12.5785","0.0017","90","","101.112","0.013","90","","2216.4","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N3 O4 -","- C25 H20 Cl N3 O4 -","- C100 H80 Cl4 N12 O16 -","4","2","","Maity, Rajendra; Gharui, Chandan; Sil, Arun K.; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael/Hemiketalization/Retro-aldol Reaction of α-Nitroketones with Unsaturated Pyrazolones: Synthesis of 3-Acyloxy Pyrazoles.","Organic letters","2017","19","3","662","665","10.1021/acs.orglett.6b03823","","","0.71073","MoKα","","0.087","0.0643","","","0.1727","0.1987","","","","","","1.08","","","","has coordinates","191308","2020-10-21","18:00:00",""
"1545217","9.249","0.0002","10.7437","0.0003","19.2145","0.0004","90","","95.804","0.002","90","","1899.53","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 O4 S2 -","- C19 H13 F3 O4 S2 -","- C76 H52 F12 O16 S8 -","4","1","","Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo","Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides.","Organic letters","2017","19","4","838","841","10.1021/acs.orglett.6b03840","","","0.71073","MoKα","","0.1214","0.0886","","","0.2146","0.2345","","","","","","1.387","","","","has coordinates","193650","2020-10-21","18:00:00",""
"1545218","6.887","0.002","9.504","0.003","11.467","0.004","94.564","0.006","93.056","0.005","105.075","0.006","720.3","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","","Yang, Wei; Dong, Jinhuan; Wang, Jingyi; Xu, Xianxiu","Rh(III)-Catalyzed Diastereoselective Annulation of Amides with Quinone Monoacetals: Access to Bridged Nine-Membered Heterocycles via C-H Activation.","Organic letters","2017","19","3","616","619","10.1021/acs.orglett.6b03777","","","0.71073","MoKα","","0.0764","0.0552","","","0.1389","0.1608","","","","","","1.019","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545219","5.8802","0.0006","14.1927","0.0013","16.3278","0.0015","90","","90","","90","","1362.7","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes.","Organic letters","2017","19","4","754","757","10.1021/acs.orglett.6b03546","","","0.71073","MoKα","","0.107","0.0543","","","0.0936","0.1023","","","","","","1.037","","","","has coordinates","193646","2020-10-21","18:00:00",""
"1545220","6.3717","0.0002","18.645","0.0004","22.0515","0.0005","90","","90","","90","","2619.73","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","","Hu, Zhengxi; Wu, Ye; Xie, Shuangshuang; Sun, Weiguang; Guo, Yi; Li, Xiao-Nian; Liu, Junjun; Li, Hua; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Phomopsterones A and B, Two Functionalized Ergostane-Type Steroids from the Endophytic Fungus Phomopsis sp. TJ507A.","Organic letters","2017","19","1","258","261","10.1021/acs.orglett.6b03557","","","1.54178","CuKα","","0.041","0.0397","","","0.1193","0.1208","","","","","","1.051","","","","has coordinates","191312","2020-10-21","18:00:00",""
"1545221","7.6621","0.001","9.8166","0.0011","19.265","0.002","90","","101.448","0.007","90","","1420.2","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1","","- C40 H26 O6 -","- C40 H26 O6 -","- C80 H52 O12 -","2","1","","Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken","Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules.","Organic letters","2017","19","1","42","45","10.1021/acs.orglett.6b03279","","","1.54186","CuKα","","0.1183","0.093","","","0.25","0.2975","","","","","","1.08","","","","has coordinates","191313","2020-10-21","18:00:00",""
"1545222","10.818","0.003","14.183","0.004","15.569","0.004","90","","90","","90","","2388.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0539","0.0433","","","0.1074","0.1145","","","","","","1.024","","","","has coordinates","191314","2020-10-21","18:00:00",""
"1545223","9.8491","0.0012","12.1471","0.0014","23.294","0.003","90","","97.907","0.003","90","","2760.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 S -","- C32 H30 N2 O2 S -","- C128 H120 N8 O8 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0959","0.0692","","","0.176","0.1957","","","","","","1.034","","","","has coordinates,has disorder","191315","2020-10-21","18:00:00",""
"1545224","9.4681","0.0007","10.7397","0.0008","17.004","0.0013","84.758","0.001","88.568","0.001","77.89","0.001","1683.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C80 H88 Cl4 N4 O8 -","4","2","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.0416","0.0344","","","0.085","0.0895","","","","","","1.02","","","","has coordinates","191316","2020-10-21","18:00:00",""
"1545225","10.584","0.004","14.302","0.005","11.308","0.004","90","","110.207","0.004","90","","1606.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Katamura, Tomohiro; Shimizu, Tomoaki; Mutoh, Yuichiro; Saito, Shinichi","Synthesis of Tricyclic Benzazocines by Aza-Prins Reaction.","Organic letters","2017","19","1","266","269","10.1021/acs.orglett.6b03577","","","0.71073","MoKα","","0.1068","0.066","","","0.1693","0.202","","","","","","1.037","","","","has coordinates","191317","2020-10-21","18:00:00",""
"1545226","48.988","0.004","4.6745","0.0005","18.3827","0.0017","90","","99.987","0.009","90","","4145.7","0.7","100","0.4","100","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 N4 O4 -","- C20 H32 N4 O4 -","- C160 H256 N32 O32 -","8","1","","Babu, Kaki Raveendra; Zhu, Nengbo; Bao, Hongli","Iron-Catalyzed C-H Alkylation of Heterocyclic C-H Bonds.","Organic letters","2017","19","1","46","49","10.1021/acs.orglett.6b03287","","","1.54184","CuKα","","0.1184","0.0797","","","0.1898","0.2235","","","","","","1.024","","","","has coordinates","191318","2020-10-21","18:00:00",""
"1545227","23.5226","0.0008","21.9096","0.0009","30.3857","0.0011","90","","102.06","0.0011","90","","15314.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83.88 H93 Cl4 N4 O6 -","- C83.875 H93 Cl4 N4 O6 -","- C671 H744 Cl32 N32 O48 -","8","2","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.71073","MoKα","","0.1058","0.0699","","","0.1983","0.2277","","","","","","1.044","","","","has coordinates,has disorder","191319","2020-10-21","18:00:00",""
"1545228","10.6275","0.0001","14.165","0.0002","15.0417","0.0002","90","","101.253","0.0009","90","","2220.82","0.05","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O7 S -","- C24 H22 N2 O7 S -","- C96 H88 N8 O28 S4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","0.71073","MoKα","","0.0545","0.0402","","0.1028","0.0958","0.1028","","","","","","0.9729","","","","has coordinates","191320","2020-10-21","18:00:00",""
"1545229","9.9367","0.0005","11.6098","0.0006","12.8011","0.0006","104.929","0.002","105.574","0.002","111.041","0.002","1220.44","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 N O2 S Si -","- C25 H35 N O2 S Si -","- C50 H70 N2 O4 S2 Si2 -","2","1","","Kim, Youngchan; Dateer, Ramesh B.; Chang, Sukbok","Borane-Catalyzed Selective Hydrosilylation of Internal Ynamides Leading to β-Silyl (Z)-Enamides.","Organic letters","2017","19","1","190","193","10.1021/acs.orglett.6b03485","","","0.71073","MoKα","","0.0513","0.0388","","","0.0935","0.1003","","","","","","0.953","","","","has coordinates","191321","2020-10-21","18:00:00",""
"1545230","11.204","0.004","16.267","0.005","7.421","0.002","90","","90","","90","","1352.5","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 F N O -","- C17 H14 F N O -","- C68 H56 F4 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.1393","0.0542","","","0.1425","0.1799","","","","","","0.985","","","","has coordinates","191322","2020-10-21","18:00:00",""
"1545231","7.5929","0.0003","11.2125","0.0005","23.7488","0.001","90","","90","","90","","2021.86","0.15","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 N O3 Si -","- C17 H31 N O3 Si -","- C68 H124 N4 O12 Si4 -","4","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0535","0.0476","","","0.1254","0.1285","","","","","","1.208","","","","has coordinates","191323","2020-10-21","18:00:00",""
"1545232","10.6064","0.0002","23.8323","0.0004","13.3936","0.0003","90","","98.0064","0.0012","90","","3352.57","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 N O3 Si -","- C38 H41 N O3 Si -","- C152 H164 N4 O12 Si4 -","4","2","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0536","0.0415","","","0.0992","0.1158","","","","","","1.095","","","","has coordinates","191324","2020-10-21","18:00:00",""
"1545233","10.867","0.002","13.296","0.003","17.981","0.004","90","","90","","90","","2598","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N3 O2 -","- C26 H41 N3 O2 -","- C104 H164 N12 O8 -","4","1","","Qiu, Guanyinsheng; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Three-Component Reaction of Propargyl Carbonates, Isocyanides, and Alcohols or Water: Switchable Synthesis of Pyrroles and Its Bicyclic Analogues.","Organic letters","2017","19","1","270","273","10.1021/acs.orglett.6b03592","","","0.71073","MoKα","","0.1092","0.0572","","","0.091","0.1069","","","","","","1.157","","","","has coordinates","191325","2020-10-21","18:00:00",""
"1545234","7.1962","0.0005","9.4529","0.0007","16.5643","0.0012","99.095","0.006","99.786","0.006","91.947","0.006","1094.28","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi","One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence.","Organic letters","2017","19","1","10","13","10.1021/acs.orglett.6b02850","","","0.71073","MoKα","","0.0829","0.061","","","0.1588","0.1804","","","","","","1.019","","","","has coordinates","191326","2020-10-21","18:00:00",""
"1545235","11.8946","0.0009","7.631","0.0006","12.2455","0.001","90","","112.27","0.004","90","","1028.59","0.14","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C42 H58 N2 O8 -","2","1","","Sagawa, Naoya; Moriya, Hiroki; Hosokawa, Seijiro","Syn Selective Vinylogous Mukaiyama Aldol Reaction Using Z,E-Vinylketene N,O-Acetal with Acetals.","Organic letters","2017","19","1","250","253","10.1021/acs.orglett.6b03549","","","1.54187","CuKα","","0.1918","0.0901","","","0.1846","0.2607","","","","","","0.907","","","","has coordinates","191327","2020-10-21","18:00:00",""
"1545236","5.517","0.002","7.786","0.002","27.221","0.008","90","","90","","90","","1169.3","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Bao, Deng-Hui; Gu, Xue-Song; Xie, Jian-Hua; Zhou, Qi-Lin","Iridium-Catalyzed Asymmetric Hydrogenation of Racemic β-Keto Lactams via Dynamic Kinetic Resolution.","Organic letters","2017","19","1","118","121","10.1021/acs.orglett.6b03397","","","1.54187","CuKα","","0.0301","0.029","","","0.0773","0.0794","","","","","","1.086","","","","has coordinates","191328","2020-10-21","18:00:00",""
"1545237","20.629","0.005","9.174","0.0019","16.177","0.004","90","","103.101","0.006","90","","2981.8","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'trans-3-Methyl-4-oxo-2-phenyl-2,3,4,5-tetrahydro-1H-benzo[d] azepine-1-carboxylic acid'","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Adamovskyi, Mykhailo I.; Ryabukhin, Sergey V.; Sibgatulin, Dmitriy A.; Rusanov, Eduard; Grygorenko, Oleksandr O.","Beyond the Five and Six: Evaluation of Seven-Membered Cyclic Anhydrides in the Castagnoli-Cushman Reaction.","Organic letters","2017","19","1","130","133","10.1021/acs.orglett.6b03426","","","0.71073","MoKα","","0.0983","0.06","","","0.1455","0.1704","","","","","","1.016","","","","has coordinates,has disorder","191329","2020-10-21","18:00:00",""
"1545238","16.515","0.0006","29.077","0.001","19.3491","0.0007","90","","110.59","0.002","90","","8698","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38.625 H55 N2 O14.875 -","- C38.625 H55 N2 O14.875 -","- C309 H440 N16 O119 -","8","4","","Williams, David E.; Dalisay, Doralyn S.; Chen, Jessie; Polishchuck, Elena A.; Patrick, Brian O.; Narula, Gagandeep; Ko, Mary; Av-Gay, Yossef; Li, Haoxin; Magarvey, Nathan; Andersen, Raymond J.","Aminorifamycins and Sporalactams Produced in Culture by a Micromonospora sp. Isolated from a Northeastern-Pacific Marine Sediment Are Potent Antibiotics.","Organic letters","2017","19","4","766","769","10.1021/acs.orglett.6b03619","","x-ray","1.54178","CuKα","","0.0685","0.0629","","","0.1698","0.1762","","","","","","1.029","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545240","15.39008","0.00013","16.17413","0.0001","18.85694","0.00014","90","","104.129","0.0008","90","","4551.9","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 N8 O9.5 Pd2 -","- C44.15 H28.15 N8 O9.5 Pd2 -","- C176.6 H112.6 N32 O38 Pd8 -","4","1","","Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz","Selective C(sp(2))-H Halogenation of ""Click"" 4-Aryl-1,2,3-triazoles.","Organic letters","2017","19","4","962","965","10.1021/acs.orglett.7b00275","","","1.5418","CuKα","","0.0602","0.0567","","","0.1568","0.1608","","","","","","1.057","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545241","5.874","0.0004","13.082","0.0007","19.297","0.0012","90","","90","","90","","1482.85","0.16","100","2","99.65","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Alkordi, Mohamed H.; Belmabkhout, Youssef; Cairns, Amy; Eddaoudi, Mohamed","Metal‒organic frameworks for H~2~ and CH~4~ storage: insights on the pore geometry‒sorption energetics relationship","IUCrJ","2017","4","2","131","135","10.1107/S2052252516019060","","","1.54178","CuKα","","0.04","0.0387","","","0.1014","0.1025","","","","","","0.888","","","","has coordinates","193978","2020-10-21","18:00:00",""
"1545242","15.3026","0.0006","12.0184","0.0004","10.1214","0.0004","90","","90.552","0.003","90","","1861.37","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-bromophenyl)-2-fluoro-N-phenylchromane-5-carboxamide","","- C22 H17 Br F N O2 -","- C22 H17 Br F N O2 -","- C88 H68 Br4 F4 N4 O8 -","4","1","","Thornbury, Richard T.; Saini, Vaneet; Fernandes, Talita de A; Santiago, Celine B.; Talbot, Eric P. A.; Sigman, Matthew S.; McKenna, Jeffrey M.; Toste, F. Dean","The development and mechanistic investigation of a palladium-catalyzed 1,3-arylfluorination of chromenes.","Chemical science","2017","8","4","2890","2897","10.1039/c6sc05102b","","","1.54178","CuKα","","0.0447","0.0372","","","0.0915","0.0963","","","","","","1.038","","","","has coordinates","196342","2020-10-21","18:00:00",""
"1545244","6.4895","0.0002","13.6285","0.0005","15.008","0.0005","116.937","0.001","99.212","0.001","91.939","0.001","1159.51","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr Eu O11 -","- C20 H23 Cr Eu O11 -","- C40 H46 Cr2 Eu2 O22 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0405","0.0335","","","0.0706","0.0735","","","","","","1.007","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545245","6.4691","0.0003","13.6049","0.0006","14.9858","0.0007","116.985","0.001","99.076","0.001","91.981","0.001","1152.14","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr O11 Tb -","- C20 H23 Cr O11 Tb -","- C40 H46 Cr2 O22 Tb2 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0297","0.0246","","","0.063","0.066","","","","","","0.857","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545246","23.2279","0.0007","10.5289","0.0003","18.9114","0.0005","90","","94.075","0.001","90","","4613.4","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr Dy O10 -","- C20 H21 Cr Dy O10 -","- C160 H168 Cr8 Dy8 O80 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0591","0.0334","","","0.0602","0.0674","","","","","","0.926","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545247","23.0974","0.0009","10.4746","0.0004","18.9178","0.0007","90","","93.987","0.001","90","","4565.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr O10 Yb -","- C20 H21 Cr O10 Yb -","- C160 H168 Cr8 O80 Yb8 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0493","0.0309","","","0.0615","0.0678","","","","","","0.971","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545248","23.2334","0.0008","10.5294","0.0004","18.9043","0.0006","90","","94.013","0.001","90","","4613.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr Ho O10 -","- C20 H21 Cr Ho O10 -","- C160 H168 Cr8 Ho8 O80 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0311","0.0209","","","0.0422","0.0452","","","","","","1.112","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545249","6.4695","0.0002","13.5666","0.0005","14.9597","0.0005","63.118","0.001","79.245","0.001","88.01","0.001","1148.7","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr Dy O11 -","- C20 H23 Cr Dy O11 -","- C40 H46 Cr2 Dy2 O22 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0308","0.0263","","","0.0626","0.0643","","","","","","1.045","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545250","6.4819","0.0005","13.6371","0.001","14.9951","0.0011","116.902","0.0019","99.17","0.002","91.939","0.002","1158.45","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cr Gd O11 -","- C20 H23 Cr Gd O11 -","- C40 H46 Cr2 Gd2 O22 -","2","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0652","0.0461","","","0.1045","0.1141","","","","","","1.091","","","","has coordinates,has disorder","195053","2020-10-21","18:00:00",""
"1545251","23.3696","0.001","10.6048","0.0005","18.9372","0.0008","90","","94.218","0.001","90","","4680.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr Eu O10 -","- C20 H21 Cr Eu O10 -","- C160 H168 Cr8 Eu8 O80 -","8","1","","Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.","Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3369","3380","10.1039/c6dt04895a","","","0.71073","MoKα","","0.0445","0.0264","","","0.0559","0.0614","","","","","","0.966","","","","has coordinates","195053","2020-10-21","18:00:00",""
"1545253","5.5613","0.0011","12.363","0.003","13.729","0.003","97.92","0.03","99.81","0.03","99.47","0.03","904","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 F13 O2 -","- C16 H9 F13 O2 -","- C32 H18 F26 O4 -","2","1","","Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins.","Organic letters","2017","19","5","1008","1011","10.1021/acs.orglett.6b03865","","","0.71073","MoKα","","0.2112","0.155","","","0.4315","0.4729","","","","","","1.628","","","","has coordinates","193637","2020-10-21","18:00:00",""
"1545254","10.8723","0.0002","8.4197","0.0002","14.4418","0.0003","90","","93.434","0.001","90","","1319.65","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O9 S -","- C26 H29 N O9 S -","- C52 H58 N2 O18 S2 -","2","1","","Probst, Nicolas; Martin, Amélie; Désiré, Jérôme; Mingot, Agnès; Marrot, Jérôme; Blériot, Yves; Thibaudeau, Sébastien","HF-Induced Intramolecular C-Arylation and C-Alkylation/Fluorination of 2-Aminoglycopyranoses.","Organic letters","2017","19","5","1040","1043","10.1021/acs.orglett.7b00003","","","0.71073","MoKα","","0.0662","0.0485","","","0.1103","0.1197","","","","","","1.031","","","","has coordinates","193636","2020-10-21","18:00:00",""
"1545255","10.4852","0.001","10.4852","0.001","23.308","0.003","90","","90","","120","","2219.2","0.4","240","0.14","240","0.14","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F7.99 Fe N24 -","- C60 H60 B4 F15.98 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","x-ray","0.71073","MoKα","","0.2252","0.1085","","","0.2302","0.3038","","","","","","1.055","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545256","10.369","0.0005","10.369","0.0005","22.9628","0.0015","90","","90","","120","","2138.1","0.2","120","2","120.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F8 Fe N24 -","- C60 H60 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","","0.71073","MoKα","","0.1389","0.109","","","0.2739","0.2978","","","","","","1.08","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545257","10.55931","0.00006","10.55931","0.00006","23.6672","0.0002","90","","90","","120","","2285.33","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.12 H30 Cl2 Fe N24 O10.24 -","- C31.1232 H30 Cl2 Fe N24 O10.2464 -","- C62.2464 H60 Cl4 Fe2 N48 O20.4928 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","2.183","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545258","10.52034","0.00006","10.52034","0.00006","23.5917","0.0003","90","","90","","120","","2261.25","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.63 H33.26 Cl2 Fe N24 O8 -","- C31.6356 H33.2712 Cl2 Fe N24 O8 -","- C63.2712 H66.5424 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.919","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545259","10.5426","0.0002","10.5426","0.0002","23.6588","0.0005","90","","90","","120","","2277.29","0.08","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C61.56 H66.24 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.285","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545260","10.57127","0.0001","10.57127","0.0001","23.4813","0.00037","90","","90","","120","","2272.52","0.05","298","","298","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C62.088 H60 B4 F16 Fe2 N48 O4.176 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.271","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545261","10.57281","0.000077","10.57281","0.000077","23.49996","0.00033","90","","90","","120","","2274.99","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.8 H33.6 B2 F8 Fe N24 -","- C31.7976 H33.5952 B2 F8 Fe N24 -","- C63.5952 H67.1904 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.738","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545262","10.5681","0.00007","10.5681","0.00007","23.4989","0.0003","90","","90","","120","","2272.86","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.84 H33.36 B2 F8 Fe N24 -","- C30.84 H33.36 B2 F8 Fe N24 -","- C61.68 H66.72 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.442","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545263","18.258","0.003","11.064","0.0009","14.334","0.0013","90","","101.816","0.005","90","","2834.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Co N4 O9 -","- C24 H26 Cl2 Co N4 O9 -","- C96 H104 Cl8 Co4 N16 O36 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","x-ray","0.71073","MoKα","","0.1511","0.0786","","","0.168","0.2024","","","","","","1.066","","","","has coordinates","196336","2020-10-21","18:00:00",""
"1545264","18.0546","0.0011","11.9616","0.0007","13.4228","0.0007","90","","105.413","0.003","90","","2794.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl2 Co N4 O8 -","- C24 H24 Cl2 Co N4 O8 -","- C96 H96 Cl8 Co4 N16 O32 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","","0.71073","MoKα","","0.1351","0.0805","","","0.2239","0.265","","","","","","0.972","","","","has coordinates","196336","2020-10-21","18:00:00",""
"1545265","9.728","0.0012","18.602","0.002","21.538","0.003","90","","95.419","0.002","90","","3880.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ClOlumboleRuthenocene","","- C38 H55 Cl Pb Ru Si2 -","- C38 H55 Cl Pb Ru Si2 -","- C152 H220 Cl4 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0699","0.0361","","","0.0603","0.0671","","","","","","1.023","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545266","10.393","0.0005","22.3163","0.001","39.5129","0.0017","90","","90","","90","","9164.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IodoPlumboleRuthenocene","","- C44 H69 I Pb Ru Si2 -","- C44 H69 I Pb Ru Si2 -","- C352 H552 I8 Pb8 Ru8 Si16 -","8","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.069","0.0471","","","0.0918","0.0987","","","","","","1.077","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545267","16.7796","0.0015","11.2019","0.0011","21.597","0.002","90","","98.91","0.001","90","","4010.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C162.2 H239.8 Cl0.6 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0289","0.023","","","0.0499","0.0518","","","","","","1.025","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545268","12.7785","0.0007","14.3628","0.0008","15.1226","0.0009","97.836","0.001","96.992","0.001","93.261","0.001","2721.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Anionic PlumboleRuthenocene","","- C54 H87 Li O4 Pb Ru Si2 -","- C54 H87 Li O4 Pb Ru Si2 -","- C108 H174 Li2 O8 Pb2 Ru2 Si4 -","2","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0467","0.038","","","0.0831","0.0872","","","","","","1.005","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545269","9.281","0.017","9.281","0.017","22.07","0.05","90","","90","","90","","1901","7","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C12 H5 Cu2 N9 -","- C12 H5 Cu2 N9 -","- C48 H20 Cu8 N36 -","4","0.25","","Zhao, Nian; Li, Ping; Mu, Xin; Liu, Chuanfang; Sun, Fuxing; Zhu, Guangshan","Facile synthesis of an ultra-stable metal-organic framework with excellent acid and base resistance","Faraday Discuss.","2017","","","","","10.1039/C7FD00017K","","","0.71073","MoKα","","0.0993","0.0721","","","0.1753","0.1951","","","","","","1.056","","","","has coordinates,has disorder","192050","2020-10-21","18:00:00",""
"1545270","6.4419","0.0001","14.7348","0.0002","10.7176","0.0001","90","","106.31","0.001","90","","976.38","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O7 S -","- C18 H22 N2 O7 S -","- C36 H44 N4 O14 S2 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0736","0.0742","","","","","","1.045","","","","has coordinates","195188","2020-10-21","18:00:00",""
"1545271","7.0627","0.0002","9.6573","0.0004","10.032","0.0003","90","","110.448","0.004","90","","641.13","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C24 H28 N4 O12 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.033","0.0314","","","0.0779","0.0792","","","","","","1.06","","","","has coordinates","195188","2020-10-21","18:00:00",""
"1545272","15.3952","0.0008","13.019","0.0006","38.748","0.002","90","","90","","90","","7766.3","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 Br4 Fe N2 -","- C11 H23 Br4 Fe N2 -","- C176 H368 Br64 Fe16 N32 -","16","2","","Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi","Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation.","Organic letters","2017","19","5","1132","1135","10.1021/acs.orglett.7b00148","","","0.71073","MoKα","","0.1576","0.0661","","","0.137","0.1629","","","","","","0.89","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545273","15.8245","0.0003","8.2945","0.0002","19.2897","0.0004","90","","106.414","0.002","90","","2428.71","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N6 O2 -","- C26 H30 N6 O2 -","- C104 H120 N24 O8 -","4","1","","Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun","Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase.","Analytical chemistry","2017","89","5","3162","3168","10.1021/acs.analchem.6b04974","","","1.54178","CuKα","","0.0798","0.0581","","","0.1085","0.1176","","","","","","1.078","","","","has coordinates,has disorder","194776","2020-10-21","18:00:00",""
"1545274","8.2282","0.0004","6.994","0.0003","22.3201","0.0009","90","","91.01","0.004","90","","1284.28","0.1","298.6","0.4","298.6","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N5 O -","- C13 H13 N5 O -","- C52 H52 N20 O4 -","4","1","","Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun","Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase.","Analytical chemistry","2017","89","5","3162","3168","10.1021/acs.analchem.6b04974","","","1.54178","CuKα","","0.0623","0.0426","","","0.0672","0.0725","","","","","","1.022","","","","has coordinates","194776","2020-10-21","18:00:00",""
"1545275","10.274","0.002","26.322","0.005","30.561","0.006","90","","90","","90","","8265","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H61 Br O9 -","- C42 H61 Br O9 -","- C336 H488 Br8 O72 -","8","2","","Zheng, Dan; Han, Li; Qu, Xiaodan; Chen, Xiu; Zhong, Jialiang; Bi, Xiaoxu; Liu, Jiang; Jiang, Yi; Jiang, Chenglin; Huang, Xueshi","Cytotoxic Fusicoccane-Type Diterpenoids from Streptomyces violascens Isolated from Ailuropoda melanoleuca Feces","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.6b00676","","","0.71073","MoKα","","0.2157","0.0594","","","0.0939","0.1304","","","","","","0.912","","","","has coordinates","192202","2020-10-21","18:00:00",""
"1545276","8.5085","0.0009","10.5638","0.0012","23.179","0.003","90","","92.665","0.002","90","","2081.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O6 S2 -","- C22 H19 N O6 S2 -","- C88 H76 N4 O24 S8 -","4","1","","Xie, Jian; Wang, Yue-Wei; Qi, Lian-Wen; Zhang, Bo","Access to Aminated Saturated Oxygen Heterocycles via Copper-Catalyzed Aminooxygenation of Alkenes.","Organic letters","2017","19","5","1148","1151","10.1021/acs.orglett.7b00182","","","0.71073","MoKα","","0.0469","0.037","","","0.0952","0.1012","","","","","","1.055","","","","has coordinates","193634","2020-10-21","18:00:00",""
"1545277","9.4759","0.0007","9.4759","0.0007","16.7019","0.0011","90","","90","","120","","1298.79","0.16","150","2","150","2","","","","","","","synthesized by the authors","4","P 31","P 31","144","","","","- C18 H26 N2 O4 -","- C18 H26 N2 O4 -","- C54 H78 N6 O12 -","3","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","0.71073","MoKα","","0.0375","0.0351","","","0.0945","0.0962","","","","","","1.045","","","","has coordinates","193629","2020-10-21","18:00:00",""
"1545278","6.3152","0.0003","16.8108","0.0008","8.4777","0.0004","90","","101.693","0.001","90","","881.35","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C38 H50 N6 O8 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0271","0.0271","","","0.0681","0.0681","","","","","","1.064","","","","has coordinates","193629","2020-10-21","18:00:00",""
"1545279","10.2983","0.0009","10.3586","0.0009","10.9392","0.001","89.722","0.007","67.73","0.008","85.303","0.007","1075.84","0.18","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C48 H58 N6 -","2","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1173","0.0619","","","0.1276","0.1574","","","","","","1.016","","","","has coordinates","193638","2020-10-21","18:00:00",""
"1545280","22.851","0.007","9.929","0.003","16.292","0.008","90","","131.487","0.002","90","","2769","1.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PNPRh(C2F4)","PNPRh(C2F4)","","- C28 H40 F4 N P2 Rh -","- C28 H40 F4 N P2 Rh -","- C112 H160 F16 N4 P8 Rh4 -","4","0.5","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0327","0.0293","","","0.0836","0.0862","","","","","","1.045","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545281","16.693","0.006","16.565","0.006","9.888","0.004","90","","90","","90","","2734.2","1.8","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","none(PNP)Rh=CF2","(PNP)Rh=CF2","","- C27 H40 F2 N P2 Rh -","- C27 H40 F2 N P2 Rh -","- C108 H160 F8 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.053","0.0357","","","0.0751","0.0828","","","","","","1.062","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545282","20.427","0.005","19.756","0.005","11.606","0.003","90","","90","","90","","4684","2","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","[(PNP)RhCF][CHB11Cl11]","[(PNP)RhCF][CHB11Cl11]","","- C28 H41 B11 Cl11 F N P2 Rh -","- C28 H41 B11 Cl11 F N P2 Rh -","- C112 H164 B44 Cl44 F4 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0683","0.059","","","0.1451","0.1511","","","","","","1.075","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545283","28.835","0.008","6.5931","0.0018","9.909","0.003","90","","105.373","0.006","90","","1816.4","0.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O11 -","- C15 H18 O11 -","- C60 H72 O44 -","4","1","","Su, Lu; Khan, Sarosh; Fan, Jingwei; Lin, Yen-Nan; Wang, Hai; Gustafson, Tiffany P.; Zhang, Fuwu; Wooley, Karen L.","Functional sugar-based polymers and nanostructures comprised of degradable poly(d-glucose carbonate)s","Polym. Chem.","2017","8","10","1699","","10.1039/C6PY01978A","","","0.71073","MoKα","","0.0608","0.0524","","","0.1502","0.1586","","","","","","1.068","","","","has coordinates","195189","2020-10-21","18:00:00",""
"1545284","10.7185","0.0005","21.9851","0.0011","12.7235","0.0007","90","","92.196","0.002","90","","2996.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis( 2-1,3-diethyl-2-thiobarbiturato O,O')-bis(1,3-diethyl-2-thiobarbiturato O)- tetra(butan-1-ol)-di-cobalt(II)","","- C48 H84 Co2 N8 O12 S4 -","- C48 H84 Co2 N8 O12 S4 -","- C96 H168 Co4 N16 O24 S8 -","2","0.5","","N.N. Golovnev; M.S. Molokeev; A.I. Smolentsev; M.K. Lesnikov","Structure of Tetrakis((1,3-Diethyl-2-Thiobarbiturato)(Butanol-1))dicobalt(II)","Russian Journal of Coordination Chemistry","2017","43","2","82","85","10.7868/S0132344X17010030","","","0.71073","MoKα","","0.1061","0.0948","","","0.2119","0.2158","","","","","","1.08","","","","has coordinates,has disorder","192229","2020-10-21","18:00:00",""
"1545285","8.75219","0.00016","11.3668","0.0002","19.708","0.0004","90","","90","","90","","1960.64","0.06","290.47","0.1","290.47","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","1","","Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang","Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.","Organic letters","2017","19","5","1120","1123","10.1021/acs.orglett.7b00143","","x-ray","1.54184","CuKα","","0.0462","0.0422","","","0.1166","0.1203","","","","","","1.039","","","","has coordinates","193632","2020-10-21","18:00:00",""
"1545286","8.803","0.004","9.88","0.004","13.538","0.006","73.731","0.009","73.897","0.011","69.965","0.009","1040.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang","Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.","Organic letters","2017","19","5","1120","1123","10.1021/acs.orglett.7b00143","","","0.71073","MoKα","","0.0588","0.0447","","","0.1472","0.1848","","","","","","1.01","","","","has coordinates","193632","2020-10-21","18:00:00",""
"1545287","12.2247","0.0006","12.3904","0.0005","15.0274","0.0007","106.67","0.004","96.765","0.004","118.889","0.003","1817.8","0.18","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","1","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.049","0.0339","","","0.0758","0.0799","","","","","","0.953","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545288","10.9869","0.0006","18.6852","0.001","13.1285","0.0007","90","","108.876","0.004","90","","2550.2","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 Cl2 Cu2 N5 O17 -","- C40 H71 Cl2 Cu2 N5 O17 -","- C80 H142 Cl4 Cu4 N10 O34 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0704","0.0566","","","0.1478","0.156","","","","","","1.074","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545289","16.6993","0.0005","15.6606","0.0005","17.7512","0.0006","90","","92.035","0.002","90","","4639.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Cl2 Cu2 N4 O17 -","- C36 H64 Cl2 Cu2 N4 O17 -","- C144 H256 Cl8 Cu8 N16 O68 -","4","1","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0993","0.0669","","","0.147","0.1623","","","","","","1.055","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545290","14.5909","0.0004","12.6902","0.0003","20.135","0.0006","90","","90","","90","","3728.23","0.17","133","2","133","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C34 H58 Cu2 N4 O8 -","- C34 H58 Cu2 N4 O8 -","- C136 H232 Cu8 N16 O32 -","4","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0462","0.0434","","","0.0924","0.0938","","","","","","1.192","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545291","9.5488","0.0004","11.0676","0.0003","18.7942","0.0007","90","","101.996","0.003","90","","1942.84","0.12","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cu2 F6 N4 O12 S2 -","- C28 H46 Cu2 F6 N4 O12 S2 -","- C56 H92 Cu4 F12 N8 O24 S4 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0387","0.0321","","","0.08","0.0824","","","","","","1.089","","","","has coordinates","196339","2020-10-21","18:00:00",""
"1545292","22.7887","0.0018","27.962","0.002","33.377","0.003","69.6918","0.0007","88.7509","0.0008","84.346","0.0008","19848","3","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12 -","- C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12 -","- C580 H510 Ag48 Fe12 Mo10 N2 O40 P24 S24 -","2","1","","Li, Xiao-Yu; Wang, Zhi; Su, Hai-Feng; Feng, Sheng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anion-templated nanosized silver clusters protected by mixed thiolate and diphosphine.","Nanoscale","2017","9","10","3601","3608","10.1039/c6nr09632h","","","0.71073","MoKα","","0.1181","0.0701","","","0.1806","0.2048","","","","","","0.973","","","","has coordinates","195146","2020-10-21","18:00:00",""
"1545293","12.409","0.005","14.149","0.005","12.409","0.005","90","","117.15","","90","","1938.6","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl O3 S -","- C24 H15 Cl O3 S -","- C96 H60 Cl4 O12 S4 -","4","1","","Dalal, Aarti; Khanna, Radhika; Kumar, Parvin; Kamboj, Ramesh","Photo-reorganization of 3-alkoxy-6-chloro-2-(benzo[b]thiophen-2-yl)-4H-chromen-4-ones: A Green and Convenient Synthesis of angular pentacyclics","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C6PP00476H","","","0.71073","MoKα","","0.2719","0.0695","","","0.1193","0.163","","","","","","0.84","","","","has coordinates","192267","2020-10-21","18:00:00",""
"1545294","19.6602","0.0015","14.7796","0.0012","26.125","0.0019","90","","91.529","0.004","90","","7588.4","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7.833333 -","- C25 H34 O7.83333 -","- C300 H408 O94 -","12","6","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.1573","0.0988","","","0.2565","0.3084","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545295","11.144","0.008","16.201","0.012","12.443","0.01","90","","90","","90","","2247","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O7 -","- C25 H36 O7 -","- C100 H144 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","0.71073","MoKα","","0.2116","0.0695","","","0.1364","0.1879","","","","","","0.93","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545296","15.2749","0.0018","15.1875","0.0017","10.1806","0.0012","90","","90","","90","","2361.8","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl O6 -","- C25 H31 Cl O6 -","- C100 H124 Cl4 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.079","0.0649","","","0.142","0.1526","","","","","","1.058","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545297","10.9888","0.0004","12.7811","0.0004","15.604","0.0005","90","","90","","90","","2191.57","0.13","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C100 H120 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.045","0.0415","","","0.1028","0.1052","","","","","","1.055","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545298","9.8667","0.0009","12.317","0.0011","17.626","0.0015","90","","100.785","0.001","90","","2104.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 Co N4 O P -","- C20 H17 Cl2 Co N4 O P -","- C80 H68 Cl8 Co4 N16 O4 P4 -","4","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.0312","0.0258","","","0.0662","0.0686","","","","","","1.084","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545299","7.881","0.002","8.61","0.002","10.582","0.003","101.612","0.003","110.925","0.002","103.559","0.002","619","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","1","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.0315","0.0309","","","0.082","0.0822","","","","","","1.093","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545300","9.465","0.001","15.709","0.0016","16.2919","0.0016","90","","106.147","0.002","90","","2326.8","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cl4 Co2 N8 P2 S2 -","- C44 H42 Cl4 Co2 N8 P2 S2 -","- C88 H84 Cl8 Co4 N16 P4 S4 -","2","0.5","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.072","0.0412","","","0.0829","0.0931","","","","","","0.995","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545301","15.231","0.002","15.231","","20.271","0.003","90","","90","","90","","4702.5","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H52 Cl4 Co2 N8 O P2 -","- C48 H51 Cl4 Co2 N8 O P2 -","- C192 H204 Cl16 Co8 N32 O4 P8 -","4","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.057","0.045","","","0.111","0.1213","","","","","","1.033","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545302","2.9","","2.9","","4.88","","90","","90","","120","","35.542","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Hexagonal Gold - Au hcp","","","- Au -","- Au -","- Au2 -","2","0.0833333","","Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F.","Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface","Scientific Reports","2017","7","","42420","","10.1038/srep42420","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194004","2020-10-21","18:00:00",""
"1545303","12.17","0.006","11.066","0.006","8.455","0.004","90","","109.476","0.01","90","","1073.5","0.9","566","2","566","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach.","Organic letters","2017","19","5","1056","1059","10.1021/acs.orglett.7b00068","","","0.71073","MoKα","","0.0973","0.0866","","","0.2872","0.3137","","","","","","1.03","","","","has coordinates","211418","2020-10-21","18:00:00",""
"1545304","8.502","0.002","25.02","0.005","32.864","0.007","90","","90","","90","","6991","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N0 O3 -","- C20 H28 O3 -","- C320 H448 O48 -","16","4","","Zhang, Min; Liu, Jimei; Chen, Ridao; Zhao, Jinlian; Xie, Kebo; Chen, Dawei; Feng, Keping; Dai, Jungui","Two Furanharzianones with 4/7/5/6/5 Ring System from Microbial Transformation of Harzianone.","Organic letters","2017","19","5","1168","1171","10.1021/acs.orglett.7b00204","","","1.54187","CuKα","","0.1396","0.0955","","","0.2228","0.2496","","","","","","0.997","","","","has coordinates","193630","2020-10-21","18:00:00",""
"1545305","9.2595","0.0014","9.9204","0.0015","10.1731","0.0015","64.259","0.004","72.322","0.005","64.093","0.004","749.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","","- C16 H8 Cl4 N2 -","- C16 H8 Cl4 N2 -","- C32 H16 Cl8 N4 -","2","1","BT4044","Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael","(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride","IUCrData","2017","2","2","x170274","","10.1107/S2414314617002747","","","0.71073","MoKα","","0.0315","0.0247","","","0.0649","0.0683","","","","","","1.038","","","","has coordinates,has Fobs","192432","2020-10-21","18:00:00",""
"1545306","13.8301","0.0006","19.717","0.0009","10.2121","0.0005","90","","109.642","0.001","90","","2622.7","0.2","150","","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethylpyridinium iodide","","- C7 H10 I N -","- C7 H10 I N -","- C84 H120 I12 N12 -","12","3","SU4130","Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P.","1,4-Dimethylpyridinium iodide","IUCrData","2017","2","2","x170269","","10.1107/S2414314617002693","","","0.71073","MoKα","","0.0244","0.021","","","0.0461","0.0476","","","","","","1.142","","","","has coordinates,has Fobs","192433","2020-10-21","18:00:00",""
"1545307","5.514","0.0011","12.418","0.003","15.372","0.003","90","","90","","90","","1052.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","HB4124","Gao, Min; Lu, Li-Ping","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2017","2","2","x170271","","10.1107/S2414314617002711","","","0.72","synchrotron","","0.037","0.0357","","","0.096","0.0972","","","","","","1.105","","","","has coordinates,has Fobs","192434","2020-10-21","18:00:00",""
"1545308","3.8091","0.0003","10.2616","0.0009","11.9768","0.0011","90","","96.165","0.003","90","","465.44","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","0.5","HB4114","Du, Ran; Meng, Li; Lu, Li-Ping","1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene","IUCrData","2017","2","2","x170272","","10.1107/S2414314617002723","","","0.71073","MoKα","","0.0542","0.0431","","","0.1082","0.1144","","","","","","1.026","","","","has coordinates,has Fobs","192435","2020-10-21","18:00:00",""
"1545309","22.1604","0.0008","15.5985","0.0006","11.4109","0.0004","90","","120.944","0.001","90","","3383","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 N6 O4 -","- C38 H42 N6 O4 -","- C152 H168 N24 O16 -","4","0.5","","Geng, Chang-An; Huang, Xiao-Yan; Ma, Yun-Bao; Hou, Bo; Li, Tian-Ze; Zhang, Xue-Mei; Chen, Ji-Jun","(±)-Uncarilins A and B, Dimeric Isoechinulin-Type Alkaloids from Uncaria rhynchophylla","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.6b00938","","","1.54178","CuKα","","0.048","0.0459","","","0.1217","0.1252","","","","","","1.032","","","","has coordinates","192462","2020-10-21","18:00:00",""
"1545310","10.7266","0.0002","15.3359","0.0003","22.6051","0.0004","77.605","0.001","80.472","0.001","76.416","0.001","3504.26","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H44.5 N6.5 O4.5 -","- C39 H44.5 N6.5 O4.5 -","- C156 H178 N26 O18 -","4","2","","Geng, Chang-An; Huang, Xiao-Yan; Ma, Yun-Bao; Hou, Bo; Li, Tian-Ze; Zhang, Xue-Mei; Chen, Ji-Jun","(±)-Uncarilins A and B, Dimeric Isoechinulin-Type Alkaloids from Uncaria rhynchophylla","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.6b00938","","","1.54178","CuKα","","0.0898","0.0835","","","0.229","0.2386","","","","","","0.979","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545311","7.8452","0.0003","3.9073","0.0002","36.549","0.0015","90","","93.5525","0.0013","90","","1118.2","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PDJXC1-44","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.","Synthesis of Fluorenones from Benzaldehydes and Aryl Iodides: Dual C-H Functionalizations Using a Transient Directing Group.","Organic letters","2017","19","5","1140","1143","10.1021/acs.orglett.7b00161","","","1.54178","CuKα","","0.0347","0.0321","","","0.0818","0.0844","","","","","","1.06","","","","has coordinates","193633","2020-10-21","18:00:00",""
"1545312","26.2758","0.0008","26.2758","0.0008","26.2758","0.0008","90","","90","","90","","18141.3","1","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.64(NiBr2)5.64","","","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C270.72 H135.36 Br45.12 N45.12 Ni22.56 O122.24 Zr24 -","4","0.166667","","Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R.","Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00061H","","","0.8856","synchrotron","","0.0715","0.0651","","","0.2002","0.2046","","","","","","1.151","","","","has coordinates,has disorder","192476","2020-10-21","18:00:00",""
"1545313","14.3929","0.0006","17.8516","0.0008","26.7111","0.0011","90","","90","","90","","6863.1","0.5","293.15","","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H20 N2 O16 Zn3 -","- C24 H20 N2 O16 Zn3 -","- C192 H160 N16 O128 Zn24 -","8","1","","Liu, YuShuang; Luo, Yu Hui; Li, Li; Zhang, Hong","An electron-transfer photochromic crystalline MOF accompanying photoswitchable luminescence in a host‒guest system","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00002B","","","0.71073","MoKα","","0.0819","0.0535","","","0.1393","0.1558","","","","","","1.024","","","","has coordinates,has disorder","192479","2020-10-21","18:00:00",""
"1545316","13.0549","0.0013","6.8643","0.0007","15.8088","0.0015","90","","97.519","0.002","90","","1404.5","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 N2 O3 S2 -","- C14 H14 N2 O3 S2 -","- C56 H56 N8 O12 S8 -","4","1","","Zhou, Min; Ma, Hang-Ying; Liu, Zhi-Hua; Yang, Guang-Yu; Du, Gang; Ye, Yan-Qing; Li, Gan-Peng; Hu, Qiu-Fen","(+)-Meyeniins A-C, Novel Hexahydroimidazo[1,5-c]thiazole Derivatives from the Tubers of Lepidium meyenii: Complete Structural Elucidation by Biomimetic Synthesis and Racemic Crystallization.","Journal of agricultural and food chemistry","2017","","","","","10.1021/acs.jafc.6b05805","","","0.71073","MoKα","","0.0347","0.0299","","","0.08","0.0835","","","","","","1.085","","","","has coordinates","192644","2020-10-21","18:00:00",""
"1545317","6.0388","0.0002","20.9417","0.0008","9.9049","0.0004","90","","105.867","0.004","90","","1204.88","0.08","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0418","0.039","","","0.1049","0.1095","","","","","","1.038","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545318","6.1236","0.0001","20.4801","0.0002","21.9533","0.0002","90","","90","","90","","2753.21","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0438","0.0415","","","0.1234","0.1271","","","","","","1.05","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545319","5.96976","0.00019","5.96976","0.00019","5.96976","0.00019","90","","90","","90","","212.751","0.012","300.3","0.4","300","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H5 Br3 N2 Pb -","- C0.9984 H3.9936 Br3 N1.9968 Pb -","- C0.9984 H3.9936 Br3 N1.9968 Pb -","1","0.0208333","","Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier","Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.","Nano letters","2017","17","3","1727","1732","10.1021/acs.nanolett.6b05022","","x-ray","0.71073","MoKα","","0.0266","0.0213","","","0.0461","0.0537","","","","","","1.265","","","","has coordinates,has disorder","194863","2020-10-21","18:00:00",""
"1545320","5.9195","0.0001","5.9195","0.0001","5.9195","0.0001","90","","90","","90","","207.422","0.006","293.92","0.1","294","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Br3 N Pb -","- C0.9984 H5.9904 Br3 N0.9984 Pb -","- C0.9984 H5.9904 Br3 N0.9984 Pb -","1","0.0208333","","Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier","Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.","Nano letters","2017","17","3","1727","1732","10.1021/acs.nanolett.6b05022","","x-ray","0.71073","MoKα","","0.029","0.0286","","","0.0669","0.0669","","","","","","1.22","","","","has coordinates,has disorder","194863","2020-10-21","18:00:00",""
"1545321","12.562","0.004","7.6332","0.0015","19.11","0.005","90","","107.74","0.009","90","","1745.3","0.8","98","","98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","","0.71075","MoKα","","0.0583","0.0418","","","0.1125","0.1189","","","","","","1.057","","","","has coordinates","194875","2020-10-21","18:00:00",""
"1545322","7.4785","0.0004","10.0969","0.0005","11.6506","0.0006","72.828","0.005","89.259","0.004","77.332","0.004","818.79","0.08","98","","98","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C42 H40 O6 -","2","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","x-ray","0.71073","MoKα","","0.0423","0.0392","","","0.1001","0.1029","","","","","","1.038","","","","has coordinates","194875","2020-10-21","18:00:00",""
"1545323","7.9588","0.0009","5.6834","0.0006","17.1239","0.0019","90","","90.062","0.002","90","","774.57","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","1","","Li, Guo-Tai; Li, Zhi-Ke; Gu, Qing; You, Shu-Li","Asymmetric Synthesis of 4-Aryl-3,4-dihydrocoumarins by N-Heterocyclic Carbene Catalyzed Annulation of Phenols with Enals.","Organic letters","2017","19","6","1318","1321","10.1021/acs.orglett.7b00088","","","0.71073","MoKα","","0.0334","0.0317","","","0.0888","0.0908","","","","","","0.999","","","","has coordinates","194876","2020-10-21","18:00:00",""
"1545324","8.71","0.006","16.465","0.009","9.372","0.005","90","","103.207","0.014","90","","1308.5","1.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C60 H48 Cl4 N4 O8 -","4","1","","Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun","Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives.","Organic letters","2017","19","5","1224","1227","10.1021/acs.orglett.7b00272","","","0.71073","MoKα","","0.066","0.0414","","","0.0918","0.0993","","","","","","1.044","","","","has coordinates","193631","2020-10-21","18:00:00",""
"1545325","14.658","0.006","7.843","0.003","14.692","0.006","90","","109.942","0.008","90","","1587.8","1.1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 N3 O2 -","- C40 H39 N3 O2 -","- C80 H78 N6 O4 -","2","1","","Yu, Yan-Min; Huang, Ya-Nan; Deng, Jun","Catalytic Asymmetric Chlorocyclization of 2-Vinylphenylcarbamates for Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-one Derivatives.","Organic letters","2017","19","5","1224","1227","10.1021/acs.orglett.7b00272","","","0.71073","MoKα","","0.082","0.0491","","","0.1014","0.12","","","","","","0.99","","","","has coordinates","193631","2020-10-21","18:00:00",""
"1545326","8.812","0.00014","9.83567","0.00018","11.24951","0.00019","90","","108.818","0.0018","90","","922.9","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl N2 O6 P -","- C15 H20 Cl N2 O6 P -","- C30 H40 Cl2 N4 O12 P2 -","2","1","","Du, Fei; Zhou, Jiao; Peng, Yungui","Asymmetric Reaction of α-Diazomethylphosphonates with α-Ketoesters To Access Optically Active α-Diazo-β-hydroxyphosphonate Derivatives.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00128","","","1.54184","CuKα","","0.0307","0.0306","","","0.0868","0.0869","","","","","","1.073","","","","has coordinates","192671","2020-10-21","18:00:00",""
"1545327","8.7385","0.0001","8.77985","0.00012","65.4284","0.0006","90","","90","","90","","5019.84","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H30 N2 O4.5 -","- C30.5 H30 N2 O4.5 -","- C244 H240 N16 O36 -","8","2","","Rees, Matthew; Simpkins, Nigel S.; Male, Louise","An Asymmetric Organocatalysis Approach to the Prenylated Alkaloid Family.","Organic letters","2017","19","6","1338","1341","10.1021/acs.orglett.7b00193","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1081","0.1085","","","","","","1.102","","","","has coordinates,has disorder","194880","2020-10-21","18:00:00",""
"1545328","9.1592","0.0018","6.7731","0.0012","16.695","0.003","90","","100.414","0.009","90","","1018.6","0.3","273","","273","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C50 H50 N2 O4 -","2","0.5","","Kaida, Hiroyuki; Goya, Tsuyoshi; Nishii, Yuji; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Construction of Bisbenzofuro[2,3-b:3',2'-e]pyridines by Palladium-Catalyzed Double Intramolecular Oxidative C-H/C-H Coupling.","Organic letters","2017","19","5","1236","1239","10.1021/acs.orglett.7b00323","","","0.71075","MoKα","","0.073","0.0567","","","0.1337","0.1447","","","","","","1.074","","","","has coordinates","193635","2020-10-21","18:00:00",""
"1545329","7.7605","0.0012","19.327","0.003","9.6643","0.0016","90","","101.584","0.003","90","","1420","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C64 H52 Cl4 N8 O8 -","4","1","","Singh, Shailendra K.; Chandna, Nisha; Jain, Nidhi","N-Mannich Bases of Aromatic Heterocyclic Amides: Synthesis via Copper-Catalyzed Aerobic Cross-Dehydrogenative Coupling under Ambient Conditions","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00125","","","0.71073","MoKα","","0.0546","0.0405","","","0.0985","0.1057","","","","","","1.039","","","","has coordinates","192674","2020-10-21","18:00:00",""
"1545330","17.0239","0.0005","9.347","0.0003","25.566","0.0006","90","","105.901","0.002","90","","3912.5","0.2","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cl3 I N O2 -","- C18 H15 Cl3 I N O2 -","- C144 H120 Cl24 I8 N8 O16 -","8","1","","Wu, Xiaowei; Wang, Bao; Zhou, Yu; Liu, Hong","Propargyl Alcohols as One-Carbon Synthons: Redox-Neutral Rhodium(III)-Catalyzed C-H Bond Activation for the Synthesis of Isoindolinones Bearing a Quaternary Carbon.","Organic letters","2017","19","6","1294","1297","10.1021/acs.orglett.7b00089","","","0.71073","MoKα","","0.035","0.03","","","0.1093","0.1124","","","","","","1.123","","","","has coordinates","194881","2020-10-21","18:00:00",""
"1545331","8.7367","0.0014","10.0971","0.0016","11.6822","0.0019","106.933","0.002","90.765","0.002","108.096","0.002","931","0.3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H14 S2 -","- C28 H14 S2 -","- C56 H28 S4 -","2","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.1091","0.0486","","","0.0935","0.1083","","","","","","0.906","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545332","11.4244","0.0008","12.1615","0.0008","15.7616","0.0011","90","","106.018","0.001","90","","2104.9","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 S2 -","- C29 H18 S2 -","- C116 H72 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0928","0.0512","","","0.1407","0.1557","","","","","","0.981","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545333","12.2546","0.0002","15.9304","0.0002","12.3845","0.0002","90","","106.387","0.001","90","","2319.5","0.06","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C120 H88 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0781","0.0403","","","0.1042","0.115","","","","","","0.947","","","","has coordinates,has disorder","194884","2020-10-21","18:00:00",""
"1545334","9.0815","0.0007","9.8004","0.0007","25.2369","0.0018","90","","93.118","0.001","90","","2242.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C120 H88 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.054","0.0448","","","0.1217","0.1307","","","","","","1.034","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545335","12.0014","0.0002","14.5055","0.0002","12.1322","0.0002","90","","114.591","0.001","90","","1920.49","0.05","295.65","0.02","295.65","0.02","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 S2 -","- C28 H14 S2 -","- C112 H56 S8 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0938","0.0499","","","0.1388","0.152","","","","","","0.913","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545336","10.2837","0.0002","14.8777","0.0002","10.9847","0.0002","90","","102.391","0.001","90","","1641.49","0.05","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.1325","0.0598","","","0.1711","0.1932","","","","","","0.853","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545337","8.32","0.003","3.9035","0.0014","21.515","0.008","90","","91.08","0.005","90","","698.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 S -","- C22 H12 S -","- C44 H24 S2 -","2","1","","Zhang, Shiqian; Liu, Zhiqiang; Fang, Qi","Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes.","Organic letters","2017","19","6","1382","1385","10.1021/acs.orglett.7b00276","","","0.71073","MoKα","","0.0779","0.0641","","","0.1798","0.1911","","","","","","1.061","","","","has coordinates","194884","2020-10-21","18:00:00",""
"1545338","8.6742","0.0003","8.6742","0.0003","25.3428","0.001","90","","90","","90","","1906.84","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ce N O8 Pt2 S8 -","- C24 H44 Ce N O8 Pt2 S8 -","- C48 H88 Ce2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.03","0.0175","","","0.0321","0.0362","","","","","","1.115","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545339","8.5991","0.0003","8.5991","0.0003","25.4694","0.0009","90","","90","","90","","1883.32","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ho N O8 Pt2 S8 -","- C24 H44 Ho N O8 Pt2 S8 -","- C48 H88 Ho2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0262","0.017","","","0.0284","0.0306","","","","","","1.1019","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545340","8.6867","0.0004","8.6867","0.0004","25.3813","0.0015","90","","90","","90","","1915.24","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 La N O8 Pt2 S8 -","- C24 H44 La N O8 Pt2 S8 -","- C48 H88 La2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0466","0.0287","","","0.0489","0.0537","","","","","","1.1112","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545341","8.5697","0.0003","8.5697","0.0003","25.5067","0.001","90","","90","","90","","1873.21","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Lu N O8 Pt2 S8 -","- C24 H44 Lu N O8 Pt2 S8 -","- C48 H88 Lu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0243","0.0172","","","0.0365","0.0396","","","","","","1.1172","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545342","8.6502","0.0003","8.6502","0.0003","25.3992","0.0011","90","","90","","90","","1900.52","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N Nd O8 Pt2 S8 -","- C24 H44 N Nd O8 Pt2 S8 -","- C48 H88 N2 Nd2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0234","0.0166","","","0.0603","0.0671","","","","","","1.0324","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545343","8.6615","0.0004","8.6615","0.0004","25.413","0.0014","90","","90","","90","","1906.52","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pr Pt2 S8 -","- C24 H44 N O8 Pr Pt2 S8 -","- C48 H88 N2 O16 Pr2 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0231","0.015","","","0.0303","0.0329","","","","","","1.0796","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545344","8.6302","0.0003","8.6302","0.0003","25.4187","0.0009","90","","90","","90","","1893.19","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Sm -","- C24 H44 N O8 Pt2 S8 Sm -","- C48 H88 N2 O16 Pt4 S16 Sm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0213","0.014","","","0.0292","0.0321","","","","","","1.0902","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545345","8.6098","0.0011","8.6098","0.0011","25.515","0.004","90","","90","","90","","1891.4","0.5","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Dy N O8 Pt2 S8 -","- C24 H44.0001 Dy N O8 Pt2 S8 -","- C48 H88.0002 Dy2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0283","0.0182","","","0.0374","0.0409","","","","","","1.0728","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545346","8.5844","0.0004","8.5844","0.0004","25.5043","0.0014","90","","90","","90","","1879.46","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tm -","- C24 H44 N O8 Pt2 S8 Tm -","- C48 H88 N2 O16 Pt4 S16 Tm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0325","0.0189","","","0.0336","0.0374","","","","","","1.0957","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545347","8.5854","0.0004","8.5854","0.0004","25.5257","0.0015","90","","90","","90","","1881.48","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Y -","- C24 H44 N O8 Pt2 S8 Y -","- C48 H88 N2 O16 Pt4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0225","0.0143","","","0.0296","0.0327","","","","","","1.0591","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545348","8.5693","0.0004","8.5693","0.0004","25.5201","0.0014","90","","90","","90","","1874.02","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Yb -","- C24 H44 N O8 Pt2 S8 Yb -","- C48 H88 N2 O16 Pt4 S16 Yb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0217","0.0145","","","0.0296","0.033","","","","","","1.0647","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545349","8.5857","0.0003","8.5857","0.0003","25.5107","0.0009","90","","90","","90","","1880.5","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Er N O8 Pt2 S8 -","- C24 H44 Er N O8 Pt2 S8 -","- C48 H88 Er2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0219","0.014","","","0.0295","0.0322","","","","","","1.0967","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545350","8.6049","0.0003","8.6049","0.0003","25.4824","0.0011","90","","90","","90","","1886.83","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tb -","- C24 H44 N O8 Pt2 S8 Tb -","- C48 H88 N2 O16 Pt4 S16 Tb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0298","0.0177","","","0.0347","0.039","","","","","","1.0857","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545351","8.68","0.0004","8.68","0.0004","25.8359","0.0012","90","","90","","90","","1946.54","0.16","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0316","0.021","","","0.0653","0.074","","","","","","1.0425","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545352","8.6134","0.0003","8.6134","0.0003","25.4434","0.0009","90","","90","","90","","1887.66","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0215","0.0164","","","0.0522","0.0559","","","","","","1.0895","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545353","8.6247","0.0003","8.6247","0.0003","25.4329","0.0009","90","","90","","90","","1891.84","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Eu N O8 Pt2 S8 -","- C24 H44 Eu N O8 Pt2 S8 -","- C48 H88 Eu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0232","0.0165","","","0.0339","0.0362","","","","","","1.1136","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545354","8.6832","0.0002","8.6832","0.0002","25.8856","0.0009","90","","90","","90","","1951.72","0.09","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pd2 S8 -","- C24 H44 Gd N O8 Pd2 S8 -","- C48 H88 Gd2 N2 O16 Pd4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.048","0.0283","","","0.048","0.0533","","","","","","1.1018","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545355","8.6638","0.0003","8.6638","0.0003","25.8747","0.0009","90","","90","","90","","1942.19","0.12","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pd2 S8 Y -","- C24 H44 N O8 Pd2 S8 Y -","- C48 H88 N2 O16 Pd4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0378","0.0246","","","0.0467","0.0514","","","","","","1.0878","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545356","12.6485","0.0007","12.6485","0.0007","15.1509","0.0008","90","","90","","90","","2423.9","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Dy O8 P Pt2 S8 -","- C40 H44 Dy O8 P Pt2 S8 -","- C80 H88 Dy2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0478","0.0245","","","0.0357","0.0405","","","","","","1.007","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545357","12.6436","0.0005","12.6436","0.0005","15.1616","0.0007","90","","90","","90","","2423.74","0.18","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Y -","- C40 H44 O8 P Pt2 S8 Y -","- C80 H88 O16 P2 Pt4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0242","0.0176","","","0.0344","0.0363","","","","","","1.0376","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545358","12.8","0.002","12.8","0.002","15.345","0.003","90","","90","","90","","2514.1","0.7","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.037","0.0254","","","0.0581","0.064","","","","","","1.051","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545359","12.6459","0.0004","12.6459","0.0004","15.14","0.0005","90","","90","","90","","2421.17","0.13","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Ho O8 P Pt2 S8 -","- C40 H44 Ho O8 P Pt2 S8 -","- C80 H88 Ho2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.032","0.0201","","","0.0371","0.0403","","","","","","1.034","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545360","12.6486","0.0006","12.6486","0.0006","15.1552","0.001","90","","90","","90","","2424.6","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Tb -","- C40 H44 O8 P Pt2 S8 Tb -","- C80 H88 O16 P2 Pt4 S16 Tb2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.038","0.0224","","","0.0354","0.0388","","","","","","1.0491","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545361","12.6662","0.0005","12.6662","0.0005","15.1584","0.0006","90","","90","","90","","2431.9","0.17","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0248","0.0175","","","0.0351","0.0375","","","","","","1.0535","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545362","12.6367","0.0004","12.6367","0.0004","15.1479","0.0006","90","","90","","90","","2418.91","0.14","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Er O8 P Pt2 S8 -","- C40 H44 Er O8 P Pt2 S8 -","- C80 H88 Er2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0333","0.0207","","","0.0373","0.0407","","","","","","1.0381","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545363","12.8122","0.0007","12.8122","0.0007","15.3823","0.0007","90","","90","","90","","2525","0.2","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pd2 S8 -","- C40 H44 Gd O8 P Pd2 S8 -","- C80 H88 Gd2 O16 P2 Pd4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0577","0.0399","","","0.0915","0.1008","","","","","","1.0199","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545364","12.8004","0.0005","12.8004","0.0005","15.373","0.0006","90","","90","","90","","2518.87","0.17","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pd2 S8 Y -","- C40 H44 O8 P Pd2 S8 Y -","- C80 H88 O16 P2 Pd4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0667","0.049","","","0.1287","0.1424","","","","","","1.0281","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545365","9.17488","0.00014","19.0562","0.0003","30.0078","0.0006","90","","93.281","0.0017","90","","5237.91","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 B Mg N3 O3 -","- C55 H80 B Mg N3 O3 -","- C220 H320 B4 Mg4 N12 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0623","0.0472","","","0.1163","0.1262","","","","","","1.017","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545366","11.59209","0.00014","26.2784","0.0003","12.80407","0.00016","90","","91.4753","0.0011","90","","3899.1","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Mg N3 O -","- C42 H59 Mg N3 O -","- C168 H236 Mg4 N12 O4 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0473","0.0367","","","0.0894","0.0952","","","","","","1.017","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545367","13.48093","0.00017","14.64625","0.00015","18.8268","0.0002","90","","94.1686","0.0012","90","","3707.42","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H57 B Mg N2 O3 -","- C35 H53 B Mg N2 O3 -","- C140 H212 B4 Mg4 N8 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0607","0.0482","","","0.123","0.1306","","","","","","1.024","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545368","11.549","0.0002","33.161","0.0006","13.3198","0.0002","90","","105.633","0.001","90","","4912.46","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 B2 N O5 -","- C22 H37 B2 N O5 -","- C176 H296 B16 N8 O40 -","8","2","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","0.71073","MoKα","","0.0775","0.0498","","","0.1237","0.139","","","","","","1.011","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545369","9.7577","0.0002","9.7577","0.0002","17.8748","0.0004","90","","90","","120","","1473.9","0.05","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C19 H30 B N O3 -","- C19 H30 B N O3 -","- C57 H90 B3 N3 O9 -","3","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","1.54184","CuKα","","0.0433","0.0413","","","0.1037","0.1053","","","","","","1.049","","","","has coordinates","196332","2020-10-21","18:00:00",""
"1545370","10.0273","0.0004","12.4499","0.0007","21.5324","0.0009","90","","90","","90","","2688.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 B2 N O5 -","- C25 H43 B2 N O5 -","- C100 H172 B8 N4 O20 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","0.71073","MoKα","","0.0879","0.0529","","","0.0897","0.101","","","","","","1.049","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545371","6.2396","0.0002","15.0244","0.0005","13.6239","0.0004","90","","106.777","0.002","90","","1222.83","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 B F2 N2 O2 -","- C14 H11 B F2 N2 O2 -","- C56 H44 B4 F8 N8 O8 -","4","1","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","1.54178","CuKα","","0.0484","0.0454","","","0.1826","0.1856","","","","","","1.608","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545372","11.2748","0.0014","14.4752","0.0018","17.3","0.002","110.39","0.003","90.141","0.003","100.184","0.003","2598.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 B2 Cl2 F4 N2 O2 -","- C29 H20 B2 Cl2 F4 N2 O2 -","- C116 H80 B8 Cl8 F16 N8 O8 -","4","2","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","0.71073","MoKα","","0.0654","0.0512","","","0.1447","0.1577","","","","","","1.067","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545373","10.5217","0.0009","12.6033","0.001","16.7317","0.0015","90","","90","","90","","2218.8","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H18 B2 F4 N2 O2 -","- C28 H18 B2 F4 N2 O2 -","- C112 H72 B8 F16 N8 O8 -","4","0.5","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","1.54178","CuKα","","0.0857","0.0827","","","0.2133","0.2147","","","","","","1.159","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545374","9.6836","0.0007","5.634","0.0004","27.2833","0.0019","90","","96.073","0.002","90","","1480.15","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B2 F4 N2 O4 S2 -","- C32 H30 B2 F4 N2 O4 S2 -","- C64 H60 B4 F8 N4 O8 S4 -","2","0.5","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","0.71073","MoKα","","0.0451","0.0402","","","0.1235","0.1295","","","","","","0.996","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545375","8.1614","0.0012","9.4911","0.0014","11.3018","0.0018","94.706","0.007","101.989","0.005","92.791","0.007","851.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 B F2 N2 O2 -","- C22 H15 B F2 N2 O2 -","- C44 H30 B2 F4 N4 O4 -","2","1","","Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J.","Structure and electronics in dimeric boron π expanded azine and salphen complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c6pp00479b","","","0.71073","MoKα","","0.1486","0.141","","","0.4363","0.4405","","","","","","1.128","","","","has coordinates","192737","2020-10-21","18:00:00",""
"1545376","17.548","0.005","8.719","0.003","12.237","0.004","90","","108.38","0.009","90","","1776.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","PK4012","El-Khatatneh, Nasseem; Vinayaka, A. C.; Chandra; Sadashiva, M. P.; Jeyaseelan, S.; Mahendra, M.","5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole","IUCrData","2017","2","2","x170278","","10.1107/S2414314617002784","","","0.71073","MoKα","","0.0621","0.0444","","","0.1171","0.1271","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","192761","2020-10-21","18:00:00",""
"1545377","10.4395","0.0001","10.8739","0.0001","16.7853","0.0002","90","","95.448","0.001","90","","1896.83","0.03","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cannabidiol","2-[(1<i>R</i>,6<i>R</i>)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl]-5-pentylbenzene-1,3-diol","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","SU4129","Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael","Cannabidiol revisited","IUCrData","2017","2","2","x170276","","10.1107/S2414314617002760","","","1.39222","CuKβ","","0.0336","0.0322","","","0.0861","0.0881","","","","","","1.027","","","","has coordinates,has Fobs","192762","2020-10-21","18:00:00",""
"1545378","8.8003","0.0006","8.8003","0.0006","19.772","0.002","90","","90","","90","","1531.2","0.2","93","","93","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C56 H24 Cl8 N8 O16 Ru4 -","4","0.5","","Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","IUCrData","2017","2","2","x170288","","10.1107/S2414314617002887","","","0.71075","MoKα","","","0.0249","","","","0.0613","","","","","","1.082","","","","has coordinates,has Fobs","192763","2020-10-21","18:00:00",""
"1545379","6.9962","0.0013","18.654","0.004","12.426","0.003","90","","91.273","0.005","90","","1621.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","","- C16 H23 Cl2 N O -","- C16 H23 Cl2 N O -","- C64 H92 Cl8 N4 O4 -","4","2","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one","IUCrData","2017","2","2","x170255","","10.1107/S2414314617002553","","","0.71073","MoKα","","0.0594","0.0381","","","0.0835","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","192764","2020-10-21","18:00:00",""
"1545380","12.486","0.007","9.738","0.005","16.089","0.009","90","","109.518","0.006","90","","1843.8","1.7","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","FF4013","Kawashima, Takuya; Okuno, Tsunehisa","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2017","2","2","x170277","","10.1107/S2414314617002772","","","0.71075","MoKα","","0.0892","0.0602","","","0.141","0.1619","","","","","","1.064","","","","has coordinates,has Fobs","192765","2020-10-21","18:00:00",""
"1545381","17.511","0.001","8.9191","0.0007","25.2761","0.0015","90","","92.179","0.002","90","","3944.8","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","","- C26 H14 Br2 O -","- C26 H14 Br2 O -","- C208 H112 Br16 O8 -","8","2","SU5344","Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay","2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one","IUCrData","2017","2","2","x170301","","10.1107/S2414314617003017","","","0.71073","MoKα","","0.0402","0.0276","","","0.0589","0.0634","","","","","","1.027","","","","has coordinates,has Fobs","192766","2020-10-21","18:00:00",""
"1545382","8.6572","0.0002","8.8108","0.0002","14.2054","0.0003","79.406","0.001","86.24","0.001","67.895","0.001","986.78","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","- C38 H36 Cl2 Cu N8 O12 -","1","0.5","ZQ4016","Chkirate, Karim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)","IUCrData","2017","2","2","x170285","","10.1107/S2414314617002851","","","1.54178","CuKα","","0.0563","0.0437","","","0.1092","0.1181","","","","","","1.038","","","","has coordinates,has Fobs","192767","2020-10-21","18:00:00",""
"1545383","9.7147","0.0003","10.0052","0.0003","16.3078","0.0005","90","","90","","90","","1585.08","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","","- C17 H27 N O -","- C17 H27 N O -","- C68 H108 N4 O4 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","IUCrData","2017","2","2","x170275","","10.1107/S2414314617002759","","","0.71073","MoKα","","0.0412","0.0383","","","0.0997","0.1028","","","","","","1.055","","","","has coordinates,has Fobs","192768","2020-10-21","18:00:00",""
"1545384","10.4328","0.0012","14.3157","0.0015","10.4869","0.0012","90","","117.064","0.006","90","","1394.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","HB4126","Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide","IUCrData","2017","2","2","x170311","","10.1107/S241431461700311X","","","1.54178","CuKα","","0.0756","0.0666","","","0.1767","0.1857","","","","","","1.036","","","","has coordinates,has Fobs","192769","2020-10-21","18:00:00",""
"1545385","8.0315","0.0011","9.7147","0.0014","10.7577","0.0015","111.205","0.004","90.226","0.005","109.381","0.004","730.81","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","","- C13 H12 Br2 N2 Sn -","- C13 H12 Br2 N2 Sn -","- C26 H24 Br4 N4 Sn2 -","2","1","ZQ4017","Ma, Xiuming","Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)","IUCrData","2017","2","2","x170316","","10.1107/S2414314617003169","","","0.71073","MoKα","","0.0313","0.0248","","","0.0525","0.0553","","","","","","1.047","","","","has coordinates,has Fobs","192770","2020-10-21","18:00:00",""
"1545386","9.5114","0.0008","12.308","0.0011","12.5537","0.0011","90","","98.962","0.003","90","","1451.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H15 N O6 S -","- C14 H15 N O6 S -","- C56 H60 N4 O24 S4 -","4","1","BT4043","Kalaiyarasi, S.; Suresh, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2017","2","2","x170254","","10.1107/S2414314617002541","","","0.71073","MoKα","","0.0777","0.0512","","","0.1225","0.1417","","","","","","1.096","","","","has coordinates,has Fobs","192771","2020-10-21","18:00:00",""
"1545387","8.422","0.0003","10.041","0.0004","10.8799","0.0004","101.889","0.002","94.104","0.002","90.402","0.001","897.79","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","SJ4090","Chkirate, Karim; Mague, Joel T.; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar","<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate","IUCrData","2017","2","2","x170251","","10.1107/S2414314617002516","","","1.54178","CuKα","","0.0444","0.0382","","","0.1062","0.1142","","","","","","1.062","","","","has coordinates,has Fobs","192772","2020-10-21","18:00:00",""
"1545388","10.4011","0.0007","14.8949","0.001","29.04","0.002","90","","90","","90","","4499","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Al Cl Fe O4 S2 -","- C46 H64 Al Cl Fe O4 S2 -","- C184 H256 Al4 Cl4 Fe4 O16 S8 -","4","1","","Wei, Junnian; Riffel, Madeline N.; Diaconescu, Paula L.","Redox Control of Aluminum Ring-Opening Polymerization: A Combined Experimental and DFT Investigation","Macromolecules","2017","50","5","1847","","10.1021/acs.macromol.6b02402","","","0.71073","MoKα","","0.0729","0.0487","","","0.1152","0.1247","","","","","","1.022","","","","has coordinates","194861","2020-10-21","18:00:00",""
"1545389","9.4629","0.0004","15.2084","0.0007","15.6029","0.0006","90","","93.466","0.003","90","","2241.39","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H68 F3 N7 O8 -","- C41 H68 F3 N7 O8 -","- C82 H136 F6 N14 O16 -","2","1","","Mendelsohn, Brian A.; Barnscher, Stuart D.; Snyder, Josh T.; An, Zili; Dodd, Jennifer M.; Dugal-Tessier, Julien","Investigation of Hydrophilic Auristatin Derivatives for Use in Antibody Drug Conjugates.","Bioconjugate chemistry","2017","28","2","371","381","10.1021/acs.bioconjchem.6b00530","","","1.54178","CuKα","","0.0325","0.0312","","","0.0913","0.0926","","","","","","1.048","","","","has coordinates","192853","2020-10-21","18:00:00",""
"1545390","12.9683","0.0006","6.3279","0.0003","15.6194","0.0006","90","","90.65","0.004","90","","1281.68","0.1","173","0.1","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54178","CuKα","","0.0498","0.0452","","","0.1152","0.1194","","","","","","1.031","","","","has coordinates","196137","2020-10-21","18:00:00",""
"1545391","8.42641","0.00016","10.9379","0.0002","21.7505","0.0004","90","","90","","90","","2004.68","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54184","CuKα","","0.0404","0.0383","","","0.1054","0.1069","","","","","","1.058","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545392","16.6466","0.0005","5.644","0.0002","13.4475","0.0004","90","","124.53","0.001","90","","1040.86","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0421","0.0351","","","0.0748","0.0779","","","","","","1.079","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545393","9.2526","0.0004","9.5299","0.0004","11.8393","0.0004","90","","100.902","0.001","90","","1025.11","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0616","0.0404","","","0.0852","0.0931","","","","","","1.056","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545394","10.7132","0.0006","5.9764","0.0003","28.5202","0.0017","90","","93.062","0.004","90","","1823.44","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","2","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","1.54178","CuKα","","0.0692","0.0469","","","0.0925","0.1002","","","","","","1.024","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545395","16.3801","0.0005","5.9374","0.0002","13.2895","0.0004","90","","123.907","0.001","90","","1072.69","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H18 O3 -","- C11 H18 O3 -","- C44 H72 O12 -","4","1","","Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias","Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.","Organic letters","2017","19","6","1478","1481","10.1021/acs.orglett.7b00484","","","0.71073","MoKα","","0.0405","0.0343","","","0.0767","0.079","","","","","","1.07","","","","has coordinates","194877","2020-10-21","18:00:00",""
"1545396","7.454","0.0004","7.9852","0.0004","12.3366","0.0006","78.039","0.002","87.32","0.002","63.031","0.002","639.29","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C32 H20 Cl2 N2 O4 -","2","1","","Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan","Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones.","Organic letters","2017","19","6","1330","1333","10.1021/acs.orglett.7b00178","","","1.54178","CuKα","","0.0303","0.0301","","","0.0764","0.0766","","","","","","1.054","","","","has coordinates","194878","2020-10-21","18:00:00",""
"1545397","7.3942","0.0002","9.7789","0.0003","12.8841","0.0009","104.277","0.007","95.031","0.007","106.485","0.007","853.17","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C40 H32 F6 N2 O4 -","2","1","","Song, Ping; Yu, Peng; Lin, Jin-Shun; Li, Yiqun; Yang, Ning-Yuan; Liu, Xin-Yuan","Transition-Metal-Free β-C-H Bond Carbonylation of Enamides or Amides with a Trifluoromethyl Group as CO Surrogate for the Synthesis of 1,3-Oxazin-6-ones.","Organic letters","2017","19","6","1330","1333","10.1021/acs.orglett.7b00178","","","1.54178","CuKα","","0.0909","0.0667","","","0.1586","0.1989","","","","","","1.249","","","","has coordinates","194878","2020-10-21","18:00:00",""
"1545398","10.4466","0.0006","4.1414","0.0002","29.012","0.0018","90","","94.984","0.003","90","","1250.42","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.1047","0.0542","","","0.1563","0.2068","","","","","","1.064","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545399","13.8557","0.0017","4.7327","0.0005","19.297","0.002","90","","98.406","0.004","90","","1251.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C48 H60 N4 O24 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0486","0.0359","","","0.0858","0.092","","","","","","1.033","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545400","9.364","0.006","9.834","0.004","11.19","0.005","109.122","0.009","91.307","0.011","110.73","0.009","899.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 N2 O6 -","- C19 H15 F3 N2 O6 -","- C38 H30 F6 N4 O12 -","2","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0873","0.0583","","","0.144","0.1632","","","","","","1.029","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545401","7.3857","0.0012","13.44","0.002","33.366","0.005","90","","90.245","0.008","90","","3312","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 O6 -","- C18 H15 F N2 O6 -","- C144 H120 F8 N16 O48 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0612","0.0412","","","0.1152","0.1439","","","","","","1.134","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545402","20.8281","0.0011","4.7751","0.0002","16.9177","0.0008","90","","90","","90","","1682.57","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H17 N3 O8 -","- C16 H17 N3 O8 -","- C64 H68 N12 O32 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0618","0.0432","","","0.1152","0.1427","","","","","","1.101","","","","has coordinates,has disorder","194879","2020-10-21","18:00:00",""
"1545403","11.694","0.004","14.981","0.006","13.855","0.005","90","","94.039","0.011","90","","2421.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0871","0.0515","","","0.1267","0.1476","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545404","10.6032","0.0008","14.4941","0.0012","21.7899","0.0018","90","","91.159","0.003","90","","3348.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O7 -","- C15 H20 N2 O7 -","- C120 H160 N16 O56 -","8","2","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.1143","0.0736","","","0.1945","0.2254","","","","","","1.035","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545405","4.6736","0.0006","17.606","0.002","19.17","0.003","90","","90","","90","","1577.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O8 -","- C15 H17 N3 O8 -","- C60 H68 N12 O32 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0326","0.0266","","","0.0744","0.0931","","","","","","1.188","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545406","4.8748","0.0008","17.909","0.003","23.571","0.004","90","","90","","90","","2057.8","0.6","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C88 H80 N16 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.051","0.0385","","","0.0844","0.0903","","","","","","1.106","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545407","7.9012","0.0007","20.4333","0.0018","8.2112","0.0006","90","","93.865","0.007","90","","1322.66","0.19","169.8","","169.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl F3 N O2 -","- C13 H13 Cl F3 N O2 -","- C52 H52 Cl4 F12 N4 O8 -","4","1","","Bai, Peng; Li, Ya-Qiong; Huang, Zhi-Zhen","A Four-Component Cascade C-H Functionalization/Cyclization/Nucleophilic Substitution Reaction To Construct α-Functionalized Tetrahydroquinolines by the Strategy of in Situ Directing Group Formation.","Organic letters","2017","19","6","1374","1377","10.1021/acs.orglett.7b00226","","","0.71073","MoKα","","0.0638","0.043","","","0.0922","0.1063","","","","","","1.031","","","","has coordinates","194882","2020-10-21","18:00:00",""
"1545408","8.7285","0.0001","11.2868","0.0001","42.4644","0.0004","90","","90","","90","","4183.46","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H66 Na O13 -","- C41 H59 Na O13 -","- C164 H236 Na4 O52 -","4","1","","Igarashi, Yasuhiro; Matsuoka, Noriaki; In, Yasuko; Kataura, Tetsushi; Tashiro, Etsu; Saiki, Ikuo; Sudoh, Yuri; Duangmal, Kannika; Thamchaipenet, Arinthip","Nonthmicin, a Polyether Polyketide Bearing a Halogen-Modified Tetronate with Neuroprotective and Antiinvasive Activity from Actinomadura sp.","Organic letters","2017","19","6","1406","1409","10.1021/acs.orglett.7b00318","","","1.54184","CuKα","","0.0379","0.0359","","","0.1061","0.1082","","","","","","1.027","","","","has coordinates","194885","2020-10-21","18:00:00",""
"1545409","7.6922","0.0015","7.9904","0.0016","24.276","0.005","90","","93.51","0.03","90","","1489.3","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pegaharmine F","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Wang, Kai-Bo; Li, Da-Hong; Bao, Yu; Cao, Fei; Wang, Wen-Jing; Lin, Clement; Bin, Wen; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Yang, Danzhou; Li, Zhan-Lin; Hua, Hui-Ming","Structurally Diverse Alkaloids from the Seeds of Peganum harmala.","Journal of natural products","2017","80","2","551","559","10.1021/acs.jnatprod.6b01146","","","0.71073","MoKα","","0.0644","0.0516","","","0.1266","0.1361","","","","","","1.051","","","","has coordinates","193204","2020-10-21","18:00:00",""
"1545410","8.3072","0.0002","8.03313","0.00019","12.8765","0.0003","90","","101.571","0.003","90","","841.82","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.5418","CuKα","","0.031","0.0306","","","0.0834","0.084","","","","","","1.046","","","","has coordinates","193205","2020-10-21","18:00:00",""
"1545411","6.92797","0.00019","14.3084","0.0003","37.5013","0.0019","90","","90","","90","","3717.4","0.2","123.01","0.1","123.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0592","0.0485","","","0.1263","0.1344","","","","","","1.1","","","","has coordinates,has disorder","193206","2020-10-21","18:00:00",""
"1545412","10.888","0.0002","15.8264","0.0002","9.5461","0.0002","90","","90","","90","","1644.96","0.05","296","","296","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0384","0.038","","","0.1103","0.1108","","","","","","1.058","","","","has coordinates","193207","2020-10-21","18:00:00",""
"1545413","9.5867","0.0001","10.2119","0.0002","17.6325","0.0003","90","","90","","90","","1726.19","0.05","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0295","0.0292","","","0.0758","0.0761","","","","","","1.089","","","","has coordinates","193208","2020-10-21","18:00:00",""
"1545414","8.363","0.0004","15.0592","0.0006","11.8316","0.0006","90","","100.073","0.0015","90","","1467.1","0.12","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N S2 -","- C15 H16 Br N S2 -","- C60 H64 Br4 N4 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study.","The journal of physical chemistry. A","2017","121","5","977","985","10.1021/acs.jpca.6b12287","","","0.71075","MoKα","","","0.0739","","","","0.0811","","","","","","1.083","","","","has coordinates","193318","2020-10-21","18:00:00",""
"1545415","24.7765","0.0003","24.7765","0.0003","24.7765","0.0003","90","","90","","90","","15209.7","0.3","323","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 Na56 O384 Si136 -","- Al55.9872 Na47.9654 O401.892 Sa0.68352 Si136.013 -","- Al55.9872 Na47.9654 O401.892 Sa0.68352 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193319","2020-10-21","18:00:00",""
"1545416","24.6654","0.0004","24.6654","0.0004","24.6654","0.0004","90","","90","","90","","15006","0.4","183","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 H600 Na56 O684 Si136 -","- Al55.9872 Na56.9549 O556.118 Sa4.4 Si136.013 -","- Al55.9872 Na56.9549 O556.118 Sa4.4 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193320","2020-10-21","18:00:00",""
"1545417","24.6792","0.0003","24.6792","0.0003","24.6792","0.0003","90","","90","","90","","15031.2","0.3","323","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-NaY","- Al56 H300 Na56 O534 Si136 -","- Al55.9872 Na56.3443 O460.358 Sa2.01344 Si136.013 -","- Al55.9872 Na56.3443 O460.358 Sa2.01344 Si136.013 -","1","0.00520833","","Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin","Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction","The Journal of Physical Chemistry C","2017","121","5","2755","","10.1021/acs.jpcc.6b11111","","","","","","","","","","","","","","","","","","","","","has coordinates","193321","2020-10-21","18:00:00",""
"1545418","10.4528","0.00017","6.38673","0.0001","10.87638","0.00019","90","","90","","90","","726.1","0.02","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co F Li2 O4 P -","- Co F Li2 O4 P -","- Co8 F8 Li16 O32 P8 -","8","1","","Fedotov, Stanislav S.; Kabanov, Artem A.; Kabanova, Natalia A.; Blatov, Vladislav A.; Zhugayevych, Andriy; Abakumov, Artem M.; Khasanova, Nellie R.; Antipov, Evgeny V.","Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries","The Journal of Physical Chemistry C","2017","121","6","3194","","10.1021/acs.jpcc.6b11027","powder diffraction","neutron","1.494","neutrons","","0.0145","0.0145","","0.0186","0.0186","","","","1.82","","","","","","","has coordinates","288316","2023-12-14","16:51:45",""
"1545419","16.5773","0.0012","9.9339","0.0007","20.9573","0.0014","90","","100.15","0.001","90","","3397.2","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N O Si2 Tm -","- C36 H44 N O Si2 Tm -","- C144 H176 N4 O4 Si8 Tm4 -","4","1","","Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo","Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism","Macromolecules","2017","50","3","849","","10.1021/acs.macromol.6b02413","","","0.71073","MoKα","","0.0531","0.0344","","","0.0849","0.0946","","","","","","1.05","","","","has coordinates","193324","2020-10-21","18:00:00",""
"1545420","9.3221","0.0008","14.4831","0.0012","11.779","0.001","90","","99.289","0.002","90","","1569.5","0.2","273","2","273","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H44 N O Sc Si2 -","- C31 H44 N O Sc Si2 -","- C62 H88 N2 O2 Sc2 Si4 -","2","1","","Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo","Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism","Macromolecules","2017","50","3","849","","10.1021/acs.macromol.6b02413","","","0.71073","MoKα","","0.0804","0.0528","","","0.0993","0.1134","","","","","","1.028","","","","has coordinates","193325","2020-10-21","18:00:00",""
"1545421","30.8999","0.0007","4.6942","0.0001","28.5604","0.0007","90","","120.027","0.001","90","","3586.71","0.15","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.0709","0.0623","","","0.1518","0.1565","","","","","","1.068","","","","has coordinates","193326","2020-10-21","18:00:00",""
"1545422","17.4115","0.0005","14.1588","0.0004","9.8695","0.0003","90","","101.432","0.0013","90","","2384.82","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 O8 -","- C52 H68 O8 -","- C104 H136 O16 -","2","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1177","0.0566","","","0.1471","0.1791","","","","","","0.993","","","","has coordinates","193327","2020-10-21","18:00:00",""
"1545423","5.0309","0.0002","18.8398","0.0006","29.826","0.0009","105.524","0.0018","92.428","0.0019","97.0367","0.0019","2694.93","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H60 O8 -","- C48 H60 O8 -","- C96 H120 O16 -","2","1","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1499","0.0962","","","0.219","0.2455","","","","","","1.071","","","","has coordinates","193328","2020-10-21","18:00:00",""
"1545424","5.3252","0.0002","14.5283","0.0004","14.8739","0.0005","63.9253","0.0018","87.608","0.002","79.959","0.002","1016.99","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H38 O8 -","- C40 H38 O8 -","- C40 H38 O8 -","1","0.5","","Heo, Jung-Moo; Kim, Youngmee; Han, Seulki; Joung, Joonyoung F.; Lee, Sang-hwa; Han, Sejin; Noh, Jaegeun; Kim, Jaeyong; Park, Sungnam; Lee, Haiwon; Choi, Yoon Mi; Jung, Young-Sik; Kim, Jong-Man","Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes","Macromolecules","2017","50","3","900","","10.1021/acs.macromol.6b02493","","","0.71073","MoKα","","0.1192","0.0776","","","0.2103","0.2308","","","","","","1.094","","","","has coordinates","193329","2020-10-21","18:00:00",""
"1545425","6.6697","0.0003","12.9985","0.0005","10.514","0.0004","90","","92.171","0.001","90","","910.87","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C38 H52 N4 O10 -","2","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","1.54178","CuKα","","0.0337","0.0318","","","0.0771","0.0786","","","","","","1.049","","","","has coordinates","193348","2020-10-21","18:00:00",""
"1545426","8.6924","0.0002","9.2483","0.0002","21.1651","0.0005","90","","90","","90","","1701.46","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C72 H96 N8 O12 -","4","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","0.71073","MoKα","","0.0338","0.0317","","","0.0829","0.0849","","","","","","1.041","","","","has coordinates","193349","2020-10-21","18:00:00",""
"1545427","11.627","0.002","32.192","0.006","8.9821","0.0018","90","","90","","90","","3362","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O14 -","- C31 H40 O14 -","- C124 H160 O56 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0727","0.0713","","","0.1973","0.1988","","","","","","1.073","","","","has coordinates","193350","2020-10-21","18:00:00",""
"1545428","8.6631","0.0005","12.2511","0.0006","27.7132","0.0016","90","","90","","90","","2941.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O12 -","- C30 H38 O12 -","- C120 H152 O48 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0618","0.0522","","","0.1344","0.1408","","","","","","1.04","","","","has coordinates","193350","2020-10-21","18:00:00",""
"1545429","11.8946","0.0009","18.6719","0.0014","7.5647","0.0005","90","","90","","90","","1680.1","0.2","223","","223.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun","Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones.","Organic letters","2017","19","5","1248","1251","10.1021/acs.orglett.7b00458","","","0.71073","MoKα","","0.0714","0.0442","","","0.1079","0.1392","","","","","","0.9101","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1545430","10.697","0.003","14.116","0.007","18.102","0.009","90","","90","","90","","2733","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 N O2 P -","- C35 H26 N O2 P -","- C140 H104 N4 O8 P4 -","4","1","","Xu, Jian; Yu, Xiaoxia; Song, Qiuling","Silver-Catalyzed Radical-Involved Cascade Cyclization of Diphenylphosphine with Cinnamamides: Access to 2-Phosphinoyl-3H-pyrrolo[1,2-a]indoles.","Organic letters","2017","19","5","980","983","10.1021/acs.orglett.6b03713","","x-ray","0.71073","MoKα","","0.1866","0.0741","","","0.1436","0.2004","","","","","","0.975","","","","has coordinates","193352","2020-10-21","18:00:00",""
"1545431","9.239","0.003","9.369","0.002","13.014","0.003","69.214","0.006","85.843","0.009","82.923","0.011","1044.6","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H9.5 F1.5 O2 S -","- C11 H9.5 F1.5 O2 S -","- C44 H38 F6 O8 S4 -","4","4","","Zhao, Bo-Liang; Du, Da-Ming","Enantioselective Squaramide-Catalyzed Trifluoromethylthiolation-Sulfur-Michael/Aldol Cascade Reaction: One-Pot Synthesis of CF3S-Containing Spiro Cyclopentanone-Thiochromanes.","Organic letters","2017","19","5","1036","1039","10.1021/acs.orglett.6b03846","","","0.71073","MoKα","","0.0353","0.0327","","","0.0695","0.0708","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545432","10.906","0.002","13.6","0.002","24.805","0.005","90","","92.535","0.007","90","","3675.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N4 O3 -","- C46 H38 N4 O3 -","- C184 H152 N16 O12 -","4","1","","Li, Yi-Jin; Yan, Na; Liu, Chun-Hua; Yu, Yang; Zhao, Yu-Long","Gold/Copper-Co-catalyzed Tandem Reactions of 2-Alkynylanilines: A Synthetic Strategy for the C2-Quaternary Indolin-3-ones.","Organic letters","2017","19","5","1160","1163","10.1021/acs.orglett.7b00200","","","0.71073","MoKα","","0.0539","0.0465","","","0.1361","0.1461","","","","","","1.021","","","","has coordinates","193354","2020-10-21","18:00:00",""
"1545433","6.0241","0.0005","10.6352","0.0008","26.263","0.002","90","","90","","90","","1682.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Yuan, Qianjia; Liu, Delong; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of β,γ-Unsaturated γ-Lactams: Scope and Mechanistic Studies.","Organic letters","2017","19","5","1144","1147","10.1021/acs.orglett.7b00171","","","0.71073","MoKα","","0.0574","0.0376","","","0.0683","0.0749","","","","","","1.035","","","","has coordinates","193355","2020-10-21","18:00:00",""
"1545434","22.3549","0.0008","14.4762","0.0005","16.9648","0.0006","90","","121.65","0.0008","90","","4673.5","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 N3 O3 S -","- C26 H25 N3 O3 S -","- C208 H200 N24 O24 S8 -","8","1","","Zeng, Zhongyi; Jin, Hongming; Xie, Jin; Tian, Bing; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","α-Imino Gold Carbenes from 1,2,4-Oxadiazoles: Atom-Economical Access to Fully Substituted 4-Aminoimidazoles.","Organic letters","2017","19","5","1020","1023","10.1021/acs.orglett.7b00001","","","0.71073","MoKα","","0.0631","0.045","","","0.1202","0.1304","","","","","","1.057","","","","has coordinates","193356","2020-10-21","18:00:00",""
"1545435","16.7256","0.001","12.4161","0.0007","25.1262","0.0014","90","","90","","90","","5217.9","0.5","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C208 H272 N16 O48 -","16","4","","Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M.","Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives.","Organic letters","2017","19","5","988","991","10.1021/acs.orglett.6b03789","","","0.71073","MoKα","","0.0737","0.0452","","","0.081","0.089","","","","","","1.007","","","","has coordinates","193357","2020-10-21","18:00:00",""
"1545436","5.5051","0.0003","9.661","0.0004","12.4968","0.0006","81.35","0.004","80.175","0.004","82.598","0.004","643.8","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F2 N O5 -","- C13 H13 F2 N O5 -","- C26 H26 F4 N2 O10 -","2","1","","Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins.","Organic letters","2017","19","5","1008","1011","10.1021/acs.orglett.6b03865","","x-ray","1.54184","CuKα","","0.0698","0.0684","","","0.168","0.1688","","","","","","1.052","","","","has coordinates","193358","2020-10-21","18:00:00",""
"1545437","7.7792","0.001","11.9136","0.0013","25.989","0.003","90","","90","","90","","2408.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O3 -","- C12 H12 Br N O3 -","- C96 H96 Br8 N8 O24 -","8","1","","Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min","Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds.","Organic letters","2017","19","5","1124","1127","10.1021/acs.orglett.7b00040","","x-ray","0.71073","MoKα","","0.1852","0.1015","","","0.243","0.3221","","","","","","0.974","","","","has coordinates","193359","2020-10-21","18:00:00",""
"1545438","7.519","0.0006","8.0121","0.0006","15.9597","0.0011","90","","103.624","0.007","90","","934.41","0.12","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1021","0.0657","","","0.1739","0.2025","","","","","","1.044","","","","has coordinates","193360","2020-10-21","18:00:00",""
"1545439","10.5287","0.0007","13.0679","0.0008","14.2874","0.0008","90","","95.724","0.002","90","","1956","0.2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","1","","Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng","Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.","Organic letters","2017","19","5","1172","1175","10.1021/acs.orglett.7b00208","","x-ray","0.71073","MoKα","","0.1021","0.0614","","","0.1499","0.1775","","","","","","1.052","","","","has coordinates","193361","2020-10-21","18:00:00",""
"1545440","9.6338","0.0003","11.7849","0.0004","14.3792","0.0004","103.583","0.002","97.723","0.002","92.687","0.002","1567.24","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Br N3 O4 S2 -","- C32 H35 Br N3 O4 S2 -","- C64 H70 Br2 N6 O8 S4 -","2","1","","Crespin, Lorène; Biancalana, Lorenzo; Morack, Tobias; Blakemore, David C.; Ley, Steven V.","One-Pot Acid-Catalyzed Ring-Opening/Cyclization/Oxidation of Aziridines with N-Tosylhydrazones: Access to 1,2,4-Triazines.","Organic letters","2017","19","5","1084","1087","10.1021/acs.orglett.7b00101","","","1.54178","CuKα","","0.0653","0.0486","","","0.1159","0.1266","","","","","","1.026","","","","has coordinates","193362","2020-10-21","18:00:00",""
"1545441","6.441","0.003","6.505","0.003","25.382","0.014","90","","93.324","0.014","90","","1061.7","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Tao, Cheng; Zhang, Jing; Chen, Xiaoming; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Formal Synthesis of (±)-Aplykurodinone-1 through a Hetero-Pauson-Khand Cycloaddition Approach.","Organic letters","2017","19","5","1056","1059","10.1021/acs.orglett.7b00068","","","0.71073","MoKα","","0.1526","0.1314","","","0.4358","0.5268","","","","","","1","","","","has coordinates","211418","2020-10-21","18:00:00",""
"1545442","20.31","0.003","9.9126","0.0015","22.301","0.004","90","","105.025","0.002","90","","4336.3","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N5 O4 S -","- C22 H25 N5 O4 S -","- C176 H200 N40 O32 S8 -","8","1","","Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota","2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition.","Organic letters","2017","19","5","1096","1099","10.1021/acs.orglett.7b00123","","","0.71075","MoKα","","0.0478","0.0417","","","0.1032","0.1084","","","","","","1.054","","","","has coordinates","193364","2020-10-21","18:00:00",""
"1545443","9.067","0.003","8.352","0.003","13.405","0.004","90","","90.005","0.005","90","","1015.1","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","2","","Kaneda, Kyosuke; Naruse, Risa; Yamamoto, Syota","2-Aminobenzenesulfonamide-Containing Cyclononyne as Adjustable Click Reagent for Strain-Promoted Azide-Alkyne Cycloaddition.","Organic letters","2017","19","5","1096","1099","10.1021/acs.orglett.7b00123","","","0.71075","MoKα","","0.0406","0.0384","","","0.0903","0.0918","","","","","","1.059","","","","has coordinates","193365","2020-10-21","18:00:00",""
"1545444","16.7882","0.0007","10.054","0.0004","17.3664","0.0007","90","","91.709","0.002","90","","2929.9","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br2 N O11 -","- C29 H21 Br2 N O11 -","- C116 H84 Br8 N4 O44 -","4","2","","Ghavre, Mukund; Froese, Jordan; Murphy, Brennan; Simionescu, Razvan; Hudlicky, Tomas","A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety of Xylosmin.","Organic letters","2017","19","5","1156","1159","10.1021/acs.orglett.7b00194","","","1.54178","CuKα","","0.0392","0.0385","","","0.0936","0.094","","","","","","1.154","","","","has coordinates,has disorder","193366","2020-10-21","18:00:00",""
"1545445","10.43","0.005","11.137","0.005","12.934","0.005","68.18","0.03","67.74","0.03","70.59","0.03","1258.3","1","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O5 S -","- C28 H26 N2 O5 S -","- C56 H52 N4 O10 S2 -","2","1","","Zhang, Shuyao; Cheng, Beiming; Wang, Shen-An; Zhou, Ling; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu","Gold-Catalyzed Cycloisomerization/1,5-H Migration/Diels-Alder Reaction Cascade: Synthesis of Complex Nitrogen-Containing Heterocycles.","Organic letters","2017","19","5","1072","1075","10.1021/acs.orglett.7b00090","","","0.71073","MoKα","","0.1289","0.064","","","0.1543","0.1907","","","","","","1.016","","","","has coordinates","193367","2020-10-21","18:00:00",""
"1545446","7.028","0.0008","19.93","0.002","33.434","0.003","90","","90","","90","","4683","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 B10 N2 O -","- C9 H18 B10 N2 O -","- C108 H216 B120 N24 O12 -","12","3","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.1876","0.0851","","","0.2048","0.2616","","","","","","0.941","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545447","7.0584","0.0008","12.616","0.0014","21.271","0.003","90","","97.699","0.002","90","","1877.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B10 N2 -","- C12 H24 B10 N2 -","- C48 H96 B40 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0745","0.0518","","","0.1414","0.1573","","","","","","1.041","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545448","7.547","0.003","20.473","0.009","9.936","0.004","90","","97.113","0.007","90","","1523.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 B10 Br N2 -","- C8 H15 B10 Br N2 -","- C32 H60 B40 Br4 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0751","0.0507","","","0.1392","0.1526","","","","","","1.007","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545449","7.5719","0.0014","20.281","0.004","10.3153","0.0018","90","","95.029","0.003","90","","1578","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 B10 N2 -","- C10 H16 B10 N2 -","- C40 H64 B40 N8 -","4","1","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.0836","0.053","","","0.1572","0.1882","","","","","","1.034","","","","has coordinates","193368","2020-10-21","18:00:00",""
"1545450","9.9538","0.0006","11.0301","0.0008","15.5083","0.0009","78.631","0.005","74.036","0.005","64.658","0.006","1473.29","0.18","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H13 Br F N3 -","- C16 H13 Br F N3 -","- C64 H52 Br4 F4 N12 -","4","2","","Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz","Selective C(sp(2))-H Halogenation of ""Click"" 4-Aryl-1,2,3-triazoles.","Organic letters","2017","19","4","962","965","10.1021/acs.orglett.7b00275","","x-ray","1.5418","CuKα","","0.0817","0.0577","","","0.1587","0.1778","","","","","","0.976","","","","has coordinates","193369","2020-10-21","18:00:00",""
"1545451","10.6471","0.0008","17.0945","0.0012","17.2371","0.0012","90","","90","","90","","3137.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl3 N2 O4 S2 -","- C29 H33 Cl3 N2 O4 S2 -","- C116 H132 Cl12 N8 O16 S8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Pecorari, Daniel; Caruana, Lorenzo; Mazzanti, Andrea; Bernardi, Luca; Fochi, Mariafrancesca","Nucleophilic Dearomatization of Pyridines under Enamine Catalysis: Regio-, Diastereo-, and Enantioselective Addition of Aldehydes to Activated N-Alkylpyridinium Salts.","Organic letters","2017","19","4","834","837","10.1021/acs.orglett.6b03824","","","0.71073","MoKα","","0.0773","0.0735","","","0.2111","0.2165","","","","","","1.075","","","","has coordinates","193370","2020-10-21","18:00:00",""
"1545452","5.7538","0.0003","17.7715","0.001","15.5029","0.001","90","","96.093","0.005","90","","1576.27","0.16","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Rao, Santhosh; Prabhu, Kandikere Ramaiah","Gold-Catalyzed [2,3]-Sigmatropic Rearrangement: Reaction of Aryl Allyl Alcohols with Diazo Compounds.","Organic letters","2017","19","4","846","849","10.1021/acs.orglett.6b03836","","x-ray","0.71073","MoKα","","0.0823","0.0601","","","0.1299","0.1437","","","","","","1.02","","","","has coordinates","193371","2020-10-21","18:00:00",""
"1545453","20.153","0.003","7.6811","0.0012","14.612","0.002","90","","107.931","0.002","90","","2152","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 S2 -","- C28 H20 S2 -","- C112 H80 S8 -","4","0.5","","Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.","Organic letters","2017","19","4","826","829","10.1021/acs.orglett.6b03819","","","0.71073","MoKα","","0.037","0.0332","","","0.0838","0.0868","","","","","","1.051","","","","has coordinates,has disorder","193372","2020-10-21","18:00:00",""
"1545454","8.5547","0.0008","20.782","0.002","21.537","0.002","90","","90","","90","","3828.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21.87 H14.18 Br N O S -","- C21.87 H14.18 Br N O S -","- C174.96 H113.44 Br8 N8 O8 S8 -","8","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","","0.71073","MoKα","","0.0936","0.0572","","","0.1512","0.1724","","","","","","1.043","","","","has coordinates,has disorder","193373","2020-10-21","18:00:00",""
"1545455","12.6933","0.0004","7.6526","0.0002","15.0369","0.0005","90","","113.961","0.002","90","","1334.76","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.0963","0.1029","","","","","","1.049","","","","has coordinates","193374","2020-10-21","18:00:00",""
"1545456","20.6221","0.0009","5.5829","0.0002","16.5354","0.0007","90","","112.431","0.001","90","","1759.7","0.12","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl O S -","- C21 H17 Cl O S -","- C84 H68 Cl4 O4 S4 -","4","1","","Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.","Desulfurative Chlorination of Alkyl Phenyl Sulfides.","Organic letters","2017","19","4","918","921","10.1021/acs.orglett.7b00077","","x-ray","1.54178","CuKα","","0.0355","0.0347","","","0.0942","0.0951","","","","","","1.045","","","","has coordinates","193375","2020-10-21","18:00:00",""
"1545457","9.0392","0.0006","14.708","0.0009","15.6959","0.001","90","","90","","90","","2086.7","0.2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl F N2 O4 S -","- C23 H16 Cl F N2 O4 S -","- C92 H64 Cl4 F4 N8 O16 S4 -","4","1","","Zhang, Bobo; Zhang, Xiang; Hu, Bei; Sun, Desong; Wang, Senlin; Zhang-Negrerie, Daisy; Du, Yunfei","PhI(OCOCF3)2-Mediated Construction of a 2-Spiropseudoindoxyl Skeleton via Cascade Annulation of 2-Sulfonamido-N-phenylpropiolamide Derivatives.","Organic letters","2017","19","4","902","905","10.1021/acs.orglett.7b00058","","","0.71073","MoKα","","0.0218","0.0214","","","0.0579","0.0581","","","","","","1.058","","","","has coordinates","193376","2020-10-21","18:00:00",""
"1545458","14.1257","0.0003","11.68","0.0002","22.185","0.0005","90","","97.966","0.001","90","","3624.94","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 O4 P2 -","- C43 H36 O4 P2 -","- C172 H144 O16 P8 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes.","Organic letters","2017","19","4","754","757","10.1021/acs.orglett.6b03546","","","0.71073","MoKα","","0.1168","0.0525","","","0.1284","0.1542","","","","","","1.02","","","","has coordinates","193377","2020-10-21","18:00:00",""
"1545459","9.0525","0.0012","8.6536","0.0012","10.8768","0.0014","90","","108.402","0.002","90","","808.48","0.19","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","FC-4d","","","- C18 H14 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C36 H30 Br2 N4 O4 -","2","1","","Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko","Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.","Organic letters","2017","19","4","758","761","10.1021/acs.orglett.6b03584","","","0.71073","MoKα","","0.0264","0.0239","","","0.0572","0.0581","","","","","","1.008","","","","has coordinates","193378","2020-10-21","18:00:00",""
"1545460","16.642","0.016","13.249","0.012","10.403","0.01","90","","106.747","0.013","90","","2196","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O6 -","- C26 H21 N O6 -","- C104 H84 N4 O24 -","4","1","","Li, Xuanyi; Han, Chunhua; Yao, Hequan; Lin, Aijun","Organocatalyzed [3 + 2] Annulation of Cyclopropenones and β-Ketoesters: An Approach to Substituted Butenolides with a Quaternary Center.","Organic letters","2017","19","4","778","781","10.1021/acs.orglett.6b03737","","","0.71073","MoKα","","0.1022","0.0496","","","0.1082","0.1246","","","","","","1.011","","","","has coordinates","193379","2020-10-21","18:00:00",""
"1545461","9.4705","0.001","10.7642","0.0013","23.159","0.003","90","","94.784","0.004","90","","2352.7","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 Cl N O2 -","- C29.5 H24 Cl N O2 -","- C118 H96 Cl4 N4 O8 -","4","1","","Luong, Tom; Chen, Shujie; Qu, Ke; McInturff, Emma L.; Krische, Michael J.","Ruthenium(0)-Catalyzed C-C Coupling of Alkynes and 3-Hydroxy-2-oxindoles: Direct C-H Vinylation of Alcohols.","Organic letters","2017","19","4","966","968","10.1021/acs.orglett.7b00174","","","0.71073","MoKα","","0.1227","0.0569","","","0.0992","0.1255","","","","","","1.027","","","","has coordinates,has disorder","193380","2020-10-21","18:00:00",""
"1545462","8.907","0.005","17.185","0.011","11.076","0.007","90","","91.287","0.01","90","","1694.9","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br N O4 S -","- C18 H12 Br N O4 S -","- C72 H48 Br4 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0975","0.0627","","","0.1614","0.1796","","","","","","1.054","","","","has coordinates","193381","2020-10-21","18:00:00",""
"1545463","7.9735","0.0013","13.888","0.002","15.686","0.003","90","","96.433","0.002","90","","1726.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N O4 S -","- C19 H12 F3 N O4 S -","- C76 H48 F12 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0415","0.0335","","","0.0865","0.0923","","","","","","1.01","","","","has coordinates","193382","2020-10-21","18:00:00",""
"1545464","7.9347","0.0016","13.383","0.003","15.493","0.003","90","","90.928","0.003","90","","1645","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N2 O6 S -","- C18 H12 N2 O6 S -","- C72 H48 N8 O24 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0673","0.0457","","","0.1114","0.1242","","","","","","1.05","","","","has coordinates","193383","2020-10-21","18:00:00",""
"1545465","10.786","0.002","10.726","0.002","14.291","0.003","90","","98.556","0.003","90","","1634.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O4 S -","- C19 H15 N O4 S -","- C76 H60 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0453","0.0371","","","0.094","0.0996","","","","","","1.03","","","","has coordinates","193384","2020-10-21","18:00:00",""
"1545466","8.2666","0.0016","17.036","0.003","12.631","0.002","90","","96.421","0.004","90","","1767.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C80 H68 N4 O16 S4 -","4","1","","Guo, Dong-Dong; Li, Bin; Wang, Da-Yu; Gao, Ya-Ru; Guo, Shi-Huan; Pan, Gao-Fei; Wang, Yong-Qiang","Synthesis of 6H-Benzo[c]chromenes via Palladium-Catalyzed Intramolecular Dehydrogenative Coupling of Two Aryl C-H Bonds.","Organic letters","2017","19","4","798","801","10.1021/acs.orglett.6b03763","","","0.71073","MoKα","","0.0667","0.0447","","","0.1113","0.1246","","","","","","1.057","","","","has coordinates","193385","2020-10-21","18:00:00",""
"1545467","10.7121","0.0011","9.923","0.0011","19.323","0.002","90","","97.966","0.003","90","","2034.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H54 Br N2 O4 P S -","- C40 H54 Br N2 O4 P S -","- C80 H108 Br2 N4 O8 P2 S2 -","2","1","","Wang, Lisheng; Wu, Yi; Liu, Yang; Yang, Hua; Liu, Xu; Wang, Jianyi; Li, Xiaoxun; Jiang, Jun","Copper-Catalyzed P-H Insertions of α-Imino Carbenes for the Preparation of 3-Phosphinoylindoles.","Organic letters","2017","19","4","782","785","10.1021/acs.orglett.6b03752","","","0.71073","MoKα","","0.0604","0.05","","","0.1301","0.1375","","","","","","1.034","","","","has coordinates,has disorder","193386","2020-10-21","18:00:00",""
"1545468","9.6162","0.0005","20.0202","0.0009","12.4958","0.0006","90","","96.703","0.003","90","","2389.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F3 O4 S2 -","- C25 H19 F3 O4 S2 -","- C100 H76 F12 O16 S8 -","4","1","","Li, Xiaojin; Sun, Yan; Huang, Xin; Zhang, Lei; Kong, Lichun; Peng, Bo","Synthesis of o-Aryloxy Triarylsulfonium Salts via Aryne Insertion into Diaryl Sulfoxides.","Organic letters","2017","19","4","838","841","10.1021/acs.orglett.6b03840","","","0.71073","MoKα","","0.1786","0.1264","","","0.2564","0.2825","","","","","","1.768","","","","has coordinates","193387","2020-10-21","18:00:00",""
"1545469","6.5022","0.0003","7.7532","0.0003","11.0346","0.0006","77.138","0.003","82.169","0.003","83.193","0.002","535.03","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Au Cl N3 -","- C9 H9 Au Cl N3 -","- C18 H18 Au2 Cl2 N6 -","2","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.067","0.0356","","","0.0488","0.0541","","","","","","0.952","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545470","11.6678","0.0012","7.5775","0.0008","12.8031","0.0013","90","","115.593","0.004","90","","1020.9","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Au Cl N3 -","- C9 H9 Au Cl N3 -","- C36 H36 Au4 Cl4 N12 -","4","1","","Frutos, María; Ortuño, Manuel A; Lledos, Agustí; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Desulfinylation of Ag(I) Sulfinyl Mesoionic Carbenes: Preparation of C-Unsubstituted Au(I)-1,2,3-Triazole Carbene Complexes.","Organic letters","2017","19","4","822","825","10.1021/acs.orglett.6b03808","","","0.71073","MoKα","","0.028","0.0175","","","0.0396","0.0442","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1545471","11.1264","0.0005","23.9534","0.0011","15.5703","0.0007","90","","92.3778","0.0019","90","","4146.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H51 Br O18 -","- C34.5 H51 Br O18 -","- C138 H204 Br4 O72 -","4","2","","Hayashi, Taiki; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Carthamin. 2. Stereoselective Approach to C-Glycosyl Quinochalcone via Desymmetrization.","Organic letters","2017","19","4","866","869","10.1021/acs.orglett.6b03899","","","1.54186","CuKα","","0.1388","0.0948","","","0.2461","0.2955","","","","","","0.982","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545472","25.678","0.003","11.0955","0.0007","19.564","0.002","90","","138.94","0.02","90","","3661.3","1.6","102.7","","102.7","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H33 N3 O8 -","- C32 H33 N3 O8 -","- C128 H132 N12 O32 -","4","1","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0735","0.0702","","","0.1987","0.2035","","","","","","1.084","","","","has coordinates","193391","2020-10-21","18:00:00",""
"1545473","15.7527","0.0006","8.9786","0.0003","24.0362","0.0009","90","","108.197","0.004","90","","3229.6","0.2","104.7","","104.7","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.2 H42.09 N3 O9.5 -","- C34.2 H42.1 N3 O9.5 -","- C136.8 H168.4 N12 O38 -","4","2","","Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei","Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.","Organic letters","2017","19","4","942","945","10.1021/acs.orglett.7b00145","","","1.5418","CuKα","","0.0483","0.0443","","","0.1164","0.1207","","","","","","1.023","","","","has coordinates,has disorder","193391","2020-10-21","18:00:00",""
"1545474","7.478","0.0004","10.2072","0.0005","11.8614","0.0005","107.051","0.004","91.711","0.004","96.066","0.004","858.97","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C40 H32 O14 -","2","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.0402","0.0372","","","0.0973","0.1007","","","","","","1.091","","","","has coordinates","193392","2020-10-21","18:00:00",""
"1545475","6.8562","0.0005","10.2038","0.0006","24.6697","0.0016","90","","92.102","0.006","90","","1724.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","1","","Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub","Enantioselective Synthesis of Cephalimysins B and C.","Organic letters","2017","19","4","750","753","10.1021/acs.orglett.6b03373","","","0.71073","MoKα","","0.1188","0.0658","","","0.1448","0.1727","","","","","","1.048","","","","has coordinates","193393","2020-10-21","18:00:00",""
"1545476","15.784","0.003","15.784","0.003","31.144","0.005","90","","90","","90","","7759","2","293","2","293","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","SCU-100","","","- C37 H28 Ag2 N8 -","- C37 H28 Ag2 N8 -","- C296 H224 Ag16 N64 -","8","","","Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites.","Environmental science & technology","2017","","","","","10.1021/acs.est.7b00339","","","0.71073","MoKα","","0.1513","0.0931","","","0.312","0.3541","","","","","","1.069","","","","has coordinates","193661","2020-10-21","18:00:00",""
"1545477","15.4983","0.0011","15.4983","0.0011","7.6894","0.0007","90","","90","","90","","1847","0.3","296","2","296","2","","","","","","","","6","P -4","P -4","81","","","","- C37 H28 Ag2 N8 O8 Re2 -","- C37 H28 Ag2 N8 O8 Re2 -","- C74 H56 Ag4 N16 O16 Re4 -","2","0.5","","Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites.","Environmental science & technology","2017","","","","","10.1021/acs.est.7b00339","","","0.71073","MoKα","","0.0216","0.0212","","","0.0577","0.0581","","","","","","1.258","","","","has coordinates","193662","2020-10-21","18:00:00",""
"1545478","26.9274","0.0003","5.87596","0.00008","29.0682","0.0004","90","","90.0555","0.0012","90","","4599.29","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H33 Cl2 N O3 S -","- C23 H33 Cl2 N O3 S -","- C184 H264 Cl16 N8 O24 S8 -","8","1","","Saint-Dizier, François; Simpkins, Nigel S.","First total synthesis of concavine","Chem. Sci.","2017","8","5","3384","","10.1039/C6SC05627J","","x-ray","1.54184","CuKα","","0.0791","0.0754","","","0.2209","0.2247","","","","","","1.094","","","","has coordinates","196333","2020-10-21","18:00:00",""
"1545479","25.3512","0.0009","14.9091","0.0005","10.7525","0.0003","90","","101.725","0.002","90","","3979.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","","- C18 H23 Cl N6 O2 -","- C18 H23 Cl N6 O2 -","- C144 H184 Cl8 N48 O16 -","8","2","HB4116","Mohamed Abdelahi, Mohamed Mokhtar; Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole","IUCrData","2017","2","2","x170146","","10.1107/S2414314617001468","","","1.54178","CuKα","","0.0955","0.0577","","","0.1045","0.1165","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","193941","2020-10-21","18:00:00",""
"1545480","15.4975","0.001","7.8125","0.0005","24.1875","0.0018","90","","107.517","0.008","90","","2792.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","","- C20 H21.33333 F N O4.66667 -","- C20 H21.3333 F N O4.66667 -","- C120 H128 F6 N6 O28 -","6","3","SJ4083","Wang, Xiao-Guang; Ma, Qing-Shuang; Sun, Bin; Xu, Lei; Zhan, Feng-Tao; Zheng, Geng-Xiu","(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate","IUCrData","2017","2","2","x170213","","10.1107/S2414314617002139","","","1.54184","CuKα","","0.052","0.042","","","0.1117","0.119","","","","","","1.058","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1545481","9.5679","0.0012","11.433","0.0013","12.7993","0.0015","90","","108.257","0.004","90","","1329.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Bassou, Oulemda; Chicha, Hakima; Bouissane, Latifa; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen","Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate","IUCrData","2017","2","2","x170208","","10.1107/S2414314617002085","","","0.71073","MoKα","","0.0762","0.0432","","","0.1183","0.137","","","","","","1.029","","","","has coordinates,has Fobs","193943","2020-10-21","18:00:00",""
"1545482","11.8003","0.0012","17.9297","0.0016","9.8723","0.0008","90","","110.279","0.005","90","","1959.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","","- C23 H20 N4 O S -","- C23 H20 N4 O S -","- C92 H80 N16 O4 S4 -","4","1","SU5342","Hou, Qian; Li, Lu; Wang, Hewen","(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol","IUCrData","2017","2","2","x170211","","10.1107/S2414314617002115","","","0.71073","MoKα","","0.051","0.0412","","","0.0942","0.0992","","","","","","1.074","","","","has coordinates,has Fobs","193944","2020-10-21","18:00:00",""
"1545483","8.6575","0.0002","7.1749","0.0001","25.3062","0.0005","90","","93.782","0.001","90","","1568.51","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C72 H72 N16 O4 -","4","1","SJ4087","Samba, Mohamed; Djerrari, Bahia; Minnih, Mohamed Said; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","IUCrData","2017","2","2","x170256","","10.1107/S2414314617002565","","","1.54178","CuKα","","0.0453","0.0379","","","0.0908","0.096","","","","","","1.039","","","","has coordinates,has Fobs","193945","2020-10-21","18:00:00",""
"1545484","16.2421","0.001","16.2421","0.001","8.9182","0.0006","90","","90","","120","","2037.5","0.2","173","","173","","","","","","","","","3","P 63","P 6c","173","Patchouli alcohol","4α,8aβ,9,9-Tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-\ methanonaphthalen-1β(2<i>H</i>)-ol","","- C15 H26 O -","- C15 H26 O -","- C90 H156 O6 -","6","1","SU4069","Inoue, Yutaka","Patchouli alcohol: 4α,8aβ,9,9-tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-methanonaphthalen-1β(2<i>H</i>)-ol","IUCrData","2017","2","2","x170189","","10.1107/S2414314617001894","","","0.71075","MoKα","","0.1106","0.0684","","","0.122","0.1362","","","","","","1.031","","","","has coordinates,has Fobs","193946","2020-10-21","18:00:00",""
"1545485","10.525","0.0009","13.4368","0.0009","20.112","0.002","71.141","0.008","89.472","0.009","76.46","0.006","2610","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","","- C9.25 H15.25 Cl0.75 I N2 Se -","- C9.25 H15.25 Cl0.75 I N2 Se -","- C74 H122 Cl6 I8 N16 Se8 -","8","4","","Schollmeyer, Dieter; Detert, Heiner","3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)","IUCrData","2017","2","2","x170167","","10.1107/S2414314617001675","","","1.54178","CuKα","","0.1009","0.0667","","","0.1748","0.1967","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","217633","2020-10-21","18:00:00",""
"1545486","7.7193","0.0003","8.6977","0.0003","9.5907","0.0004","90.457","0.002","95.07","0.002","90.627","0.002","641.34","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","SJ4085","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E.","3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one","IUCrData","2017","2","2","x170139","","10.1107/S2414314617001390","","","1.54178","CuKα","","0.0469","0.0394","","","0.0949","0.1011","","","","","","1.057","","","","has coordinates,has Fobs","193948","2020-10-21","18:00:00",""
"1545487","9.44","0.006","14.6051","0.0015","12.321","0.002","90","","105.68","0.03","90","","1635.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(5-Methylbenzofuran-3-yl)-N-phenethylacetamide","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","SJ4086","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","IUCrData","2017","2","2","x170200","","10.1107/S2414314617002000","","","1.5418","CuKα","","0.1166","0.0625","","","0.1393","0.1685","","","","","","1.043","","","","has coordinates,has Fobs","193949","2020-10-21","18:00:00",""
"1545488","14.3727","0.0009","4.8669","0.0004","22.3233","0.0013","90","","118.859","0.009","90","","1367.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Öv Bodur, Gönül Sevde; Yavuz, Metin; Dege, Necmi; Bülbül, Hakan; Ağar, Erbil","(<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol","IUCrData","2017","2","2","x170177","","10.1107/S2414314617001778","","","0.71073","MoKα","","0.0902","0.0417","","","0.0903","0.1062","","","","","","0.942","","","","has coordinates,has Fobs","193950","2020-10-21","18:00:00",""
"1545489","9.5435","0.0002","9.5435","0.0002","15.9424","0.0004","90","","90","","90","","1452.01","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","","- C9 H3 Cl9 -","- C9 H3 Cl9 -","- C36 H12 Cl36 -","4","1","","Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","IUCrData","2017","2","2","x170227","","10.1107/S2414314617002279","","","0.71073","MoKα","","0.0575","0.0553","","","0.133","0.1349","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","193951","2020-10-21","18:00:00",""
"1545490","7.9322","0.0002","15.2415","0.0004","13.6694","0.0004","90","","106.316","0.001","90","","1586.06","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C15 H17 N5 S -","- C15 H17 N5 S -","- C60 H68 N20 S4 -","4","1","TK4029","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","IUCrData","2017","2","2","x170153","","10.1107/S2414314617001535","","","1.54178","CuKα","","0.0359","0.0331","","","0.0886","0.0913","","","","","","1.051","","","","has coordinates,has Fobs","193952","2020-10-21","18:00:00",""
"1545491","7.0734","0.0008","10.4076","0.0012","6.7019","0.0012","90","","116.683","0.004","90","","440.83","0.11","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","","- C6 H8 Cl2 N2 Pd -","- C6 H8 Cl2 N2 Pd -","- C12 H16 Cl4 N4 Pd2 -","2","0.5","WM4038","Konno, Yosuke; Matsushita, Nobuyuki","Dichlorido(<i>o</i>-phenylenediamine)palladium(II)","IUCrData","2017","2","2","x170144","","10.1107/S2414314617001444","","","0.71075","MoKα","","0.022","0.0197","","","0.0514","0.0526","","","","","","1.092","","","","has coordinates,has Fobs","193953","2020-10-21","18:00:00",""
"1545492","41.014","0.011","5.7338","0.0015","11.88","0.003","90","","94.442","0.008","90","","2785.4","1.3","176","2","176","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","","- C18 H8 F26 N2 S3 -","- C18 H8 F26 N2 S3 -","- C72 H32 F104 N8 S12 -","4","0.5","HB4113","Partl, Gabriel; Laus, Gerhard; Wurst, Klaus; Kopacka, Holger; Müller, Thomas; Huppertz, Hubert; Schottenberger, Herwig","2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole","IUCrData","2017","2","2","x170110","","10.1107/S2414314617001109","","","0.71073","MoKα","","0.0412","0.0366","","","0.0959","0.099","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","193954","2020-10-21","18:00:00",""
"1545493","7.205","0.0002","19.8831","0.0006","9.7676","0.0003","90","","105.691","0.001","90","","1347.14","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","","- C9 H14 N6 O6 -","- C9 H14 N6 O6 -","- C36 H56 N24 O24 -","4","1","TK4030","Lahmidi, Sanae; Essassi, El Mokhtar; Benchidmi, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate","IUCrData","2017","2","2","x170159","","10.1107/S2414314617001596","","","0.71073","MoKα","","0.0553","0.043","","","0.1205","0.1334","","","","","","1.045","","","","has coordinates,has Fobs","193955","2020-10-21","18:00:00",""
"1545494","5.454","0.0003","8.8013","0.0005","30.2297","0.0018","90","","92.835","0.001","90","","1449.32","0.14","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Glutaminium 4-methylbenzenesulfonate","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","2","BT4036","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","<small>L</small>-Glutaminium 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170162","","10.1107/S2414314617001626","","","0.71073","MoKα","","0.0433","0.0357","","","0.0869","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","193956","2020-10-21","18:00:00",""
"1545495","7.3148","0.0006","8.403","0.0006","27.67","0.002","90","","90","","90","","1700.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HB4112","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","2","x170097","","10.1107/S2414314617000979","","","1.54178","CuKα","","0.0298","0.0292","","","0.0755","0.0761","","","","","","1.042","","","","has coordinates,has Fobs","193957","2020-10-21","18:00:00",""
"1545496","10.1567","0.0005","8.5396","0.0004","21.8019","0.001","90","","99.329","0.002","90","","1865.96","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","FF4012","Ravi, A. J.; Vinduvahini, M.; Vinayaka, A. C.; Sadashiva, M. P.; Devarajegowda, H. C.","(<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione","IUCrData","2017","2","2","x170043","","10.1107/S2414314617000438","","","1.54178","CuKα","","0.0529","0.0502","","","0.147","0.1506","","","","","","1.061","","","","has coordinates,has Fobs","193958","2020-10-21","18:00:00",""
"1545497","7.5446","0.0001","7.5446","0.0001","27.6498","0.0005","90","","90","","90","","1573.85","0.04","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","","- C6 H11 N O6 -","- C6 H11 N O6 -","- C48 H88 N8 O48 -","8","1","BT4039","Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","IUCrData","2017","2","2","x170249","","10.1107/S2414314617002498","","","0.71073","MoKα","","0.0584","0.0405","","","0.1077","0.1171","","","","","","1.115","","","","has coordinates,has Fobs","193959","2020-10-21","18:00:00",""
"1545498","18.0993","0.0012","14.2646","0.0009","9.599","0.0006","90","","105.345","0.001","90","","2389.9","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterion form","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C120 H128 N8 O8 -","4","0.5","","Bendia, Sabrina; Ouari, Kamel; Karmazin, Lydia","1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterionic form","IUCrData","2017","2","2","x170169","","10.1107/S2414314617001699","","","0.71073","MoKα","","0.0749","0.0525","","","0.1311","0.1464","","","","","","1.126","","","","has coordinates,has Fobs","193960","2020-10-21","18:00:00",""
"1545499","8.338","0.0017","10.435","0.002","10.885","0.002","102.95","0.03","97.94","0.03","97.51","0.03","901.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","","- C18 H22 N4 O3 -","- C18 H22 N4 O3 -","- C36 H44 N8 O6 -","2","1","XU4015","Wen, Gao-Ju; Wang, Ming-Xin; Gu, Lian-Shuai","Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate","IUCrData","2017","2","2","x161941","","10.1107/S2414314616019416","","","0.71073","MoKα","","0.1126","0.0627","","","0.1603","0.192","","","","","","1.014","","","","has coordinates,has Fobs","193961","2020-10-21","18:00:00",""
"1545500","4.9309","0.0002","17.1173","0.0008","16.6517","0.0007","90","","91.189","0.003","90","","1405.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C13 H11 Cl N4 O S -","- C13 H11 Cl N4 O S -","- C52 H44 Cl4 N16 O4 S4 -","4","1","SU4127","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M.","5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione","IUCrData","2017","2","2","x170176","","10.1107/S2414314617001766","","","1.54178","CuKα","","0.1009","0.0681","","","0.1742","0.195","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","193964","2020-10-21","18:00:00",""
"1545501","13.373","0.003","13.996","0.003","17.219","0.004","90","","90","","90","","3222.9","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyl­tricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","RZ4010","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Ait Elhad, Mustapha; Oukhrib, Abdelouahd; Berraho, Moha","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","IUCrData","2017","2","2","x170198","","10.1107/S2414314617001985","","","0.71073","MoKα","","0.0361","0.0321","","","0.0808","0.0842","","","","","","1.039","","","","has coordinates,has Fobs","193965","2020-10-21","18:00:00",""
"1545502","8.1732","0.0005","10.5828","0.0007","12.1781","0.0008","113.699","0.001","94.617","0.001","99.203","0.001","939.81","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","","- C21 H16 Br F N2 O2 S -","- C21 H16 Br F N2 O2 S -","- C42 H32 Br2 F2 N4 O4 S2 -","2","1","SU4110","Yadav, C. Suresh; Viswanathan, Vijayan; Kannadasan, Sathananthan; Velmurugan, Devadasan","<i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline","IUCrData","2017","2","2","x170147","","10.1107/S241431461700147X","","","0.71073","MoKα","","0.0382","0.0316","","","0.0922","0.0958","","","","","","1.046","","","","has coordinates,has Fobs","193966","2020-10-21","18:00:00",""
"1545503","5.93718","0.00011","16.9484","0.0003","10.8841","0.0002","90","","103.797","0.0019","90","","1063.62","0.03","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","","- C21 H21 F2 N3 O4 S -","- C21 H21 F2 N3 O4 S -","- C42 H42 F4 N6 O8 S2 -","2","1","SJ4084","Ma, Qing-Shuang; Wang, Xiao-Guang; Xu, Lei; Bin, Sun; Xia, Dao-Hong; Zheng, Geng-Xiu","{(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate","IUCrData","2017","2","2","x170242","","10.1107/S2414314617002425","","","1.54184","CuKα","","0.0375","0.0334","","","0.0824","0.0853","","","","","","1.05","","","","has coordinates,has Fobs","193967","2020-10-21","18:00:00",""
"1545504","10.7224","0.0001","11.1042","0.0002","14.7761","0.0002","90","","96.078","0.001","90","","1749.41","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","","- C38 H42 N2 O8 Rh2 -","- C38 H42 N2 O8 Rh2 -","- C76 H84 N4 O16 Rh4 -","2","0.5","","Selent, Detlef; Drexler, Hans-Joachim","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]","IUCrData","2017","2","2","x170205","","10.1107/S241431461700205X","","","0.71073","MoKα","","0.0236","0.021","","","0.0528","0.0545","","","","","","1.053","","","","has coordinates,has Fobs","193968","2020-10-21","18:00:00",""
"1545505","12.632","0.0006","9.3954","0.0004","12.3733","0.0006","90","","102.708","0.001","90","","1432.52","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C17 H12 N4 O2 -","- C17 H12 N4 O2 -","- C68 H48 N16 O8 -","4","1","HB4111","Ghomsi Nathan, Joseph Tene; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","2","x170073","","10.1107/S2414314617000736","","","0.71073","MoKα","","0.071","0.0519","","","0.1392","0.1529","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","193969","2020-10-21","18:00:00",""
"1545506","11.6326","0.0005","6.1866","0.0002","20.1712","0.0008","90","","98.023","0.002","90","","1437.44","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","HB4118","Chetioui, Souheyla; Boutebdja, Mehdi; Boudraa, Mhamed; Touzani, Rachid; Merazig, Hocine","(<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","IUCrData","2017","2","2","x170259","","10.1107/S2414314617002590","","","0.71073","MoKα","","0.0735","0.0442","","","0.1061","0.1206","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","193970","2020-10-21","18:00:00",""
"1545507","10.6311","0.0005","11.0403","0.0005","12.034","0.0006","97.594","0.002","92.173","0.002","99.423","0.001","1378.59","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","","- C13 H11 I N O3.5 S -","- C13 H11 I N O3.5 S -","- C52 H44 I4 N4 O14 S4 -","4","2","HB4117","Suchetan, P. A.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Naveen, S.; Warad, Ismail","4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate","IUCrData","2017","2","2","x170149","","10.1107/S2414314617001493","","","1.54178","CuKα","","0.0421","0.0409","","","0.1123","0.114","","","","","","1.069","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1545508","10.2436","0.0008","4.7669","0.0004","14.1543","0.0011","90","","96.6007","0.0016","90","","686.58","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","","- C7 H6 N2 Se -","- C7 H6 N2 Se -","- C28 H24 N8 Se4 -","4","1","RZ4011","Ouahine, Halima; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke","5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole","IUCrData","2017","2","2","x170226","","10.1107/S2414314617002267","","","0.71073","MoKα","","0.0258","0.0235","","","0.0644","0.0664","","","","","","1.05","","","","has coordinates,has Fobs","193972","2020-10-21","18:00:00",""
"1545509","9.509","0.003","13.094","0.004","15.323","0.005","90","","90","","90","","1907.9","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Yang, Zhusheng; Chen, Fei; Zhang, Shuxin; He, Yanmei; Yang, Nianfa; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of Phenanthridine Derivatives","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00419","","","0.71073","MoKα","","0.1001","0.0918","","","0.1261","0.1289","","","","","","1.272","","","","has coordinates","194012","2020-10-21","18:00:00",""
"1545510","9.2267","0.0003","9.9695","0.0004","28.6206","0.001","90","","90","","90","","2632.68","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","1","","Liu, Chengwei; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling of N-Mesylamides by N‒C Cleavage: Electronic Effect of the Mesyl Group","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00373","","","1.54178","CuKα","","0.0288","0.0287","","","0.0756","0.0756","","","","","","1.089","","","","has coordinates","194013","2020-10-21","18:00:00",""
"1545511","10.2323","0.0006","13.2844","0.0007","16.9919","0.0009","100.164","0.003","104.521","0.002","95.151","0.002","2179","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H62 N6 Ti -","- C47 H62 N6 Ti -","- C94 H124 N12 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0639","0.0444","","","0.1066","0.1178","","","","","","1.026","","","","has coordinates,has disorder","196330","2020-10-21","18:00:00",""
"1545512","18.3497","0.0006","10.3436","0.0003","25.5974","0.0008","90","","108.022","0.002","90","","4620.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 N4 P Ti -","- C46 H55 N4 P Ti -","- C184 H220 N16 P4 Ti4 -","4","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0672","0.0471","","","0.1205","0.134","","","","","","1.048","","","","has coordinates","196330","2020-10-21","18:00:00",""
"1545513","13.1179","0.0008","13.2082","0.0008","13.7748","0.0008","105.738","0.003","99.727","0.003","98.022","0.003","2220.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H62 N4 O Ti -","- C49 H62 N4 O Ti -","- C98 H124 N8 O2 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0532","0.0433","","","0.1131","0.1215","","","","","","1.041","","","","has coordinates,has disorder","196330","2020-10-21","18:00:00",""
"1545515","8.4867","0.0002","11.5788","0.0002","16.5698","0.0004","90","","92.762","0.004","90","","1626.35","0.06","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 I2 -","- C16 H16 I2 -","- C64 H64 I8 -","4","2","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0357","0.0335","","","0.0767","0.0786","","","","","","1.07","","","","has coordinates,has disorder","196325","2020-10-21","18:00:00",""
"1545516","11.4988","0.0003","15.9491","0.0003","8.2449","0.0002","90","","97.906","0.001","90","","1497.71","0.06","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C64 H56 I8 -","4","1","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0467","0.0383","","","0.0866","0.0932","","","","","","1.058","","","","has coordinates,has disorder","196325","2020-10-21","18:00:00",""
"1545517","10.2417","0.0008","17.4702","0.0014","18.1698","0.0015","117.24","0.003","90.58","0.003","92.649","0.003","2885.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 N7 O7 S -","- C66 H62 N7 O7 S -","- C132 H124 N14 O14 S2 -","2","1","","Martinez-Cuezva, Alberto; Saura-Sanmartin, Adrian; Nicolas-Garcia, Tomas; Navarro, Cristian; Orenes, Raul-Angel; Alajarin, Mateo; Berna, Jose","Photoswitchable interlocked thiodiglycolamide as a cocatalyst of a chalcogeno-Baylis‒Hillman reaction","Chem. Sci.","2017","8","5","3775","","10.1039/C7SC00724H","","","1.54178","CuKα","","0.0497","0.0446","","","0.1443","0.1477","","","","","","1.175","","","","has coordinates,has disorder","196327","2020-10-21","18:00:00",""
"1545518","10.807","0.0002","27","0.0005","28.2406","0.0005","90","","90","","90","","8240.3","0.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1622","0.0734","","","0.1752","0.2217","","","","","","0.956","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545519","7.3568","0.0006","10.0126","0.0008","10.8607","0.0009","110.106","0.008","95.309","0.007","106.922","0.008","702.02","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","1","0.5","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1099","0.0797","","","0.1724","0.1943","","","","","","1.027","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545520","10.7343","0.0003","12.0336","0.0003","28.9712","0.0007","90","","90","","90","","3742.28","0.17","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Cl F3 N5 O2 -","- C19 H13 Cl F3 N5 O2 -","- C152 H104 Cl8 F24 N40 O16 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.0974","0.0745","","","0.1069","0.1159","","","","","","0.89","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545521","8.7557","0.0004","10.3822","0.0004","11.1677","0.0005","63.052","0.004","82.84","0.004","86.27","0.004","897.85","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C44 H40 O12 -","2","1","","Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger","Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units","Polym. Chem.","2017","8","14","2197","","10.1039/C7PY00129K","","x-ray","1.54184","CuKα","","0.0371","0.0356","","","0.0915","0.0927","","","","","","1.041","","","","has coordinates","195191","2020-10-21","18:00:00",""
"1545522","10.191","0.0003","13.7072","0.0003","19.0724","0.0005","90.789","0.002","103.313","0.003","109.953","0.002","2424.55","0.12","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 N2 O6.5 -","- C25 H33 N2 O6.5 -","- C100 H132 N8 O26 -","4","2","","Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger","Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units","Polym. Chem.","2017","8","14","2197","","10.1039/C7PY00129K","","x-ray","1.54184","CuKα","","0.0496","0.0444","","","0.1265","0.1322","","","","","","1.036","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545523","15.4313","0.0007","5.6117","0.0002","22.8702","0.0012","90","","108.713","0.002","90","","1875.77","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-[({[bis(2-Cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl)amino]propanenitrile","","- C14 H16 N6 S4 -","- C14 H16 N6 S4 -","- C56 H64 N24 S16 -","4","0.5","LH4017","Sonia, A. S.; Baskaran, R.; Selvanayagam, S.","Crystal structure of 3-[({[bis(2-cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl) amino]propanenitrile","IUCrData","2017","2","3","","","10.1107/S2414314617003467","","","0.71073","MoKα","","0.0569","0.0369","","","0.0935","0.1089","","","","","","1.105","","","","has coordinates,has Fobs","194091","2020-10-21","18:00:00",""
"1545524","11.6918","0.0004","9.6408","0.0003","14.6263","0.0005","90","","104.815","0.001","90","","1593.84","0.09","307.1","","307.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Nayak, Maloy; Kang, Young Kee; Kim, Ikyon","Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures.","Organic letters","2017","19","6","1474","1477","10.1021/acs.orglett.7b00472","","","0.71073","MoKα","","0.0575","0.0426","","","0.1082","0.1184","","","","","","1.035","","","","has coordinates","194883","2020-10-21","18:00:00",""
"1545525","8.9477","0.0006","9.8191","0.0006","10.1325","0.0006","100.835","0.003","102.579","0.003","115.911","0.003","739.75","0.09","305.3","","305.3","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O -","- C20 H15 N O -","- C40 H30 N2 O2 -","2","1","","Nayak, Maloy; Kang, Young Kee; Kim, Ikyon","Altering the Cyclization Modes: Temperature-Dependent Intramolecular 7-Endo-Dig vs 6-Endo-Dig Electrophilic Ring Closures.","Organic letters","2017","19","6","1474","1477","10.1021/acs.orglett.7b00472","","","0.71073","MoKα","","0.0979","0.0468","","","0.0974","0.1152","","","","","","1.014","","","","has coordinates","194883","2020-10-21","18:00:00",""
"1545526","12.6825","0.0002","14.4458","0.0002","13.1365","0.0002","90","","90","","90","","2406.72","0.06","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C128 H96 N8 -","4","1","","Kim, Og Soon; Jang, Jin Hyeok; Kim, Hyun Tae; Han, Su Jin; Tsui, Gavin Chit; Joo, Jung Min","Synthesis of Fluorescent Indazoles by Palladium-Catalyzed Benzannulation of Pyrazoles with Alkynes.","Organic letters","2017","19","6","1450","1453","10.1021/acs.orglett.7b00410","","","0.71073","MoKα","","0.0549","0.0447","","","0.1201","0.1263","","","","","","1.04","","","","has coordinates","194886","2020-10-21","18:00:00",""
"1545527","13.7779","0.0004","14.7189","0.0004","21.2291","0.0006","90","","90","","90","","4305.2","0.2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 N2 Na O7 P3 -","- C40 H58 N2 Na O7 P3 -","- C160 H232 N8 Na4 O28 P12 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0649","0.0622","","","0.1736","0.1762","","","","","","1.055","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545528","14.0829","0.0009","20.6872","0.0019","15.9795","0.0014","90","","99.559","0.005","90","","4590.8","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B F15 N2 O P2 -","- C45 H38 B F15 N2 O P2 -","- C180 H152 B4 F60 N8 O4 P8 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.1148","0.0572","","","0.1234","0.1501","","","","","","0.983","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545529","12.9335","0.0012","20.866","0.0018","10.2861","0.0009","90","","90","","90","","2775.9","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H41 B N2 O P2 -","- C27.0002 H41 B1.0002 N2 O1.0002 P2 -","- C108.001 H164 B4.0008 N8 O4.0008 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0641","0.0597","","","0.1716","0.1764","","","","","","1.082","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545530","14.6157","0.0011","18.3339","0.0015","23.554","0.002","85.401","0.007","81.374","0.006","78.671","0.005","6110.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","10_polym","","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","1","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.1025","0.085","","","0.2248","0.2404","","","","","","1.02","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545531","21.5089","0.0011","17.8123","0.0009","9.2449","0.0005","90","","90","","90","","3541.9","0.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","AdamPPCO","","- C38 H53 N3 O P2 -","- C38 H53 N3 O P2 -","- C152 H212 N12 O4 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.0724","0.0483","","","0.1031","0.114","","","","","","1.059","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545532","27.6426","0.0013","11.7291","0.0006","24.5253","0.0012","90","","103.246","0.002","90","","7740.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H99 N5 Na2 O11 P6 -","- C70 H99 N5 Na2 O11 P6 -","- C280 H396 N20 Na8 O44 P24 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0409","0.0355","","","0.0924","0.0961","","","","","","1.029","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545533","7.472","0.0015","20.571","0.004","24.604","0.005","69.4","0.03","84.5","0.03","85.66","0.03","3520.1","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56.5 H55.25 N8 O17.25 -","- C56 H53.25 N8 O16.25 -","- C112 H106.5 N16 O32.5 -","2","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.77492","synchrotron","","0.163","0.13","","","0.3808","0.4082","","","","","","1.643","","","","has coordinates","196328","2020-10-21","18:00:00",""
"1545534","34.1155","0.0011","45.9981","0.0011","33.3135","0.0014","90","","109.407","0.004","90","","49307","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172 H112 Ca2 N32 O111 S8 -","- C172 H112 Ca2 N32 O111 S8 -","- C1376 H896 Ca16 N256 O888 S64 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2003","0.1324","","","0.3635","0.4119","","","","","","1.48","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545535","28.255","0.004","51.842","0.007","30.331","0.004","90","","110.957","0.002","90","","41490","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C103 H97 N16 O38.5 -","- C99.25 H57.5 N16 O33.75 -","- C1588 H920 N256 O540 -","16","4","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2844","0.1773","","","0.4532","0.5229","","","","","","1.688","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545536","34.859","0.007","29.286","0.006","51.432","0.01","90","","90","","90","","52506","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C1644 H1084 Ca50 N256 O660 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.8856","synchrotron","","0.1603","0.1568","","","0.5004","0.5118","","","","","","2.893","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545537","23.14","0.0018","5.19","0.0008","21.2642","0.0019","90","","111.714","0.017","90","","2372.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACEMETACIN2PYRIDONE","","","- C26 H23 Cl N2 O7 -","- C26 H23 Cl N2 O7 -","- C104 H92 Cl4 N8 O28 -","4","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0524","1.433","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545538","21.348","0.002","4.1931","0.0012","15.2174","0.0019","90.567","0.017","101.4","0.02","89.473","0.016","1335.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACEMETACINNICOTINAMIDEFORMII","","","- C27 H26 Cl N3 O8 -","- C27 H26 Cl N3 O8 -","- C54 H52 Cl2 N6 O16 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0363","1.198","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545539","4.8977","0.0011","40.914","0.004","12.8874","0.0019","90","","100.328","0.018","90","","2540.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACEMETACINNICOTINAMIDEFORMI","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C108 H96 Cl4 N12 O28 -","4","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0358","1.076","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545540","17.2939","0.0018","4.8191","0.0007","16.9544","0.0015","90","","113.529","0.017","90","","1295.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","ACEMETACINPABA","","","- C28 H25 Cl N2 O8 -","- C28 H25 Cl N2 O8 -","- C56 H50 Cl2 N4 O16 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0404","1.365","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545541","11.7638","0.0012","20.5548","0.0019","5.1627","0.0009","89.543","0.014","93.3","0.016","96.276","0.017","1238.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACEMETACINVLM","","","- C26 H27 Cl N2 O7 -","- C26 H27 Cl N2 O7 -","- C52 H54 Cl2 N4 O14 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0555","1.549","","","","","","","has coordinates","194124","2020-10-21","18:00:00",""
"1545543","25.3774","0.0004","8.3627","0.0002","19.7264","0.0004","90","","116.32","0.001","90","","3752.41","0.14","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H50 Cl2 N2 O12 Pd3 -","- C29 H50 Cl2.0001 N2 O12 Pd3 -","- C116 H200 Cl8.0004 N8 O48 Pd12 -","4","0.5","","He, Chuan; Gaunt, Matthew J.","Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines","Chem. Sci.","2017","8","5","3586","","10.1039/C7SC00468K","","","0.71073","MoKα","","0.068","0.0503","","","0.1271","0.1375","","","","","","1.023","","","","has coordinates","196326","2020-10-21","18:00:00",""
"1545544","7.9846","0.0002","17.4996","0.0004","11.4514","0.0003","90","","93.064","0.001","90","","1597.79","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.0318","0.0258","","","0.0615","0.0639","","","","","","1.082","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545545","12.964","0.004","8.401","0.003","18.917","0.006","90","","105.216","0.003","90","","1988","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N6 O2 Pb S2 -","- C16 H15 N6 O2 Pb S2 -","- C64 H60 N24 O8 Pb4 S8 -","4","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.031","0.0253","","","0.0682","0.0715","","","","","","1.038","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545546","14.0154","0.0006","12.5288","0.0005","16.4104","0.0006","90","","90","","90","","2881.6","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 N4 O Pb -","- C12 H10 Cl2 N4 O Pb -","- C96 H80 Cl16 N32 O8 Pb8 -","8","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.1219","0.0657","","","0.0898","0.1021","","","","","","1.108","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545548","7.7503","0.0003","8.9174","0.0004","26.8821","0.0011","90","","90.435","0.002","90","","1857.84","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl F N O2 -","- C21 H23 Cl F N O2 -","- C84 H92 Cl4 F4 N4 O8 -","4","1","","Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.","Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.","Molecular pharmaceutics","2017","14","4","1278","1291","10.1021/acs.molpharmaceut.7b00003","","","0.71073","MoKα","","0.0422","0.0349","","","0.0949","0.1051","","","","","","1.088","","","","has coordinates","194862","2020-10-21","18:00:00",""
"1545549","28.579","0.008","28.912","0.008","33.323","0.008","90","","90","","90","","27534","13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H48 N8 S9 U2 -","- C61 H48 N8 S9 U2 -","- C732 H576 N96 S108 U24 -","12","3","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54187","CuKα","","0.1886","0.1684","","","0.4167","0.4471","","","","","","1.456","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545550","17.3745","0.0005","34.224","0.0008","17.013","0.0005","90","","112.037","0.003","90","","9377.3","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H112 N8 O2 S2 U2 -","- C100 H112 N8 O2 S2 U2 -","- C400 H448 N32 O8 S8 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0648","0.039","","","0.0916","0.1019","","","","","","0.804","","","","has coordinates","196334","2020-10-21","18:00:00",""
"1545551","15.9605","0.0003","16.6905","0.0003","18.0699","0.0004","67.132","0.002","86.551","0.002","82.45","0.002","4396.61","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H105 N8 O2 S U2 -","- C101 H105 N8 O2 S U2 -","- C202 H210 N16 O4 S2 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0771","0.0581","","","0.1282","0.1407","","","","","","1.049","","","","has coordinates","196334","2020-10-21","18:00:00",""
"1545552","29.6933","0.0004","29.9161","0.0004","10.8656","0.0001","90","","90","","90","","9652","0.2","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C106 H130 B K N8 O5 U2 -","- C106 H130 B K N8 O5 U2 -","- C424 H520 B4 K4 N32 O20 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54184","CuKα","","0.0626","0.047","","","0.1173","0.1305","","","","","","1.064","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545553","15.5798","0.0008","33.7862","0.0017","20.7334","0.0012","90","","105.543","0.006","90","","10514.6","1","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H138 B N8 Na O6 U2 -","- C110 H138 B N8 Na O6 U2 -","- C440 H552 B4 N32 Na4 O24 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0948","0.0586","","","0.0996","0.1078","","","","","","1.081","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545554","5.874","0.0019","21.077","0.007","5.974","0.002","90","","110.372","0.013","90","","693.4","0.4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","VAZO-88","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","","- C14 H20 N4 -","- C14 H20 N4 -","- C28 H40 N8 -","2","0.5","","Begum, Farzana; Twamley, Brendan; Baker, Robert J.","(<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile)","IUCrData","2017","2","3","x170369","","10.1107/S2414314617003698","","","1.54184","CuKα","","0.061","0.0585","","","0.1571","0.1595","","","","","","1.061","","","","has coordinates,has Fobs","194186","2020-10-21","18:00:00",""
"1545555","8.1107","0.0004","8.2615","0.0004","11.2048","0.0005","86.791","0.002","70.625","0.002","85.783","0.002","705.96","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","","- C12 H7 Cl4 N O2 S -","- C12 H7 Cl4 N O2 S -","- C24 H14 Cl8 N2 O4 S2 -","2","1","SJ4094","Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide","IUCrData","2017","2","3","x170372","","10.1107/S2414314617003728","","","1.54178","CuKα","","0.0655","0.0633","","","0.1818","0.1902","","","","","","1.075","","","","has coordinates,has Fobs","194187","2020-10-21","18:00:00",""
"1545556","10.857","0.0005","9.0549","0.0004","14.955","0.0007","90","","91.006","0.004","90","","1469.99","0.12","173","2","173","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; Taourirte, Moha; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone","IUCrData","2017","2","3","x170368","","10.1107/S2414314617003686","","","0.71073","MoKα","","0.045","0.0374","","","0.0981","0.1033","","","","","","1.045","","","","has coordinates,has Fobs","194188","2020-10-21","18:00:00",""
"1545557","6.1673","0.0003","13.0059","0.0007","17.6433","0.0009","90","","90","","90","","1415.19","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","IUCrData","2017","2","3","x170375","","10.1107/S2414314617003753","","","1.54178","CuKα","","0.0526","0.0515","","","0.1367","0.1379","","","","","","0.992","","","","has coordinates,has Fobs","194189","2020-10-21","18:00:00",""
"1545558","7.9086","0.0016","6.7115","0.001","22.64","0.003","90","","96.744","0.016","90","","1193.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","","- C11 H5 Br2 Cl O3 -","- C11 H5 Br2 Cl O3 -","- C44 H20 Br8 Cl4 O12 -","4","1","HB4128","Yarbagi, K. M.; Chennuru, R.; Paul, D.; Venkateswara Rao, B.; Mahapatra, S.","6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170356","","10.1107/S241431461700356X","","","0.71073","MoKα","","0.0958","0.0352","","","0.0674","0.0744","","","","","","0.821","","","","has coordinates,has Fobs","194190","2020-10-21","18:00:00",""
"1545559","7.1044","0.001","10.5317","0.0015","12.2598","0.0017","108.078","0.004","93.481","0.005","101.484","0.004","847.1","0.2","200","2","200","","","","","","","","","5","P -1","-P 1","2","","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","","- C8 H3 Br2 N O2 -","- C8 H3 Br2 N O2 -","- C32 H12 Br8 N4 O8 -","4","2","","Golen, James A.; Manke, David R.","5,6-Dibromo-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170355","","10.1107/S2414314617003558","","","0.71073","MoKα","","0.0266","0.0197","","","0.0443","0.047","","","","","","1.043","","","","has coordinates,has Fobs","194191","2020-10-21","18:00:00",""
"1545560","4.7931","0.0007","10.4177","0.0015","33.685","0.005","90","","90","","90","","1682","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C17 H16 Cl N5 O3 -","- C17 H16 Cl N5 O3 -","- C68 H64 Cl4 N20 O12 -","4","1","","Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2017","2","3","x170370","","10.1107/S2414314617003704","","","0.71073","MoKα","","0.0455","0.0409","","","0.0934","0.0962","","","","","","1.073","","","","has coordinates,has Fobs","194192","2020-10-21","18:00:00",""
"1545561","9.7456","0.0005","14.1679","0.0005","6.2215","0.0002","90","","106.761","0.002","90","","822.54","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0532","0.0378","","","0.0946","0.1057","","","","","","1.077","","","","has coordinates","196182","2020-10-21","18:00:00",""
"1545562","7.1293","0.0003","8.5344","0.0003","12.1967","0.0005","92.8941","0.0017","92.3808","0.0019","99.1117","0.0017","730.88","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C32 H24 Cl2 N2 O8 -","2","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0689","0.0489","","","0.117","0.1326","","","","","","1.057","","","","has coordinates","196182","2020-10-21","18:00:00",""
"1545563","8.799","0.0018","12.568","0.003","22.97","0.005","90","","97.36","0.03","90","","2519.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C108 H120 N8 O16 S4 -","4","1","","Zhen, Le; Wang, Jiankun; Xu, Qing-Long; Sun, Hongbin; Wen, Xiaoan; Wang, Guangji","Direct Intermolecular C-H Functionalization Triggered by 1,5-Hydride Shift: Access to N-Arylprolinamides via Ugi-Type Reaction.","Organic letters","2017","19","7","1566","1569","10.1021/acs.orglett.7b00378","","","0.71073","MoKα","","0.1643","0.073","","","0.1593","0.2059","","","","","","1.005","","","","has coordinates","196183","2020-10-21","18:00:00",""
"1545564","10.3342","0.0004","12.1948","0.0005","23.5406","0.001","90","","90","","90","","2966.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 N3 O -","- C38 H31 N3 O -","- C152 H124 N12 O4 -","4","1","","Zhu, Zi-Qi; Shen, Yang; Liu, Jin-Xi; Tao, Ji-Yu; Shi, Feng","Enantioselective Direct α-Arylation of Pyrazol-5-ones with 2-Indolylmethanols via Organo-Metal Cooperative Catalysis.","Organic letters","2017","19","7","1542","1545","10.1021/acs.orglett.7b00351","","","1.54178","CuKα","","0.0348","0.0338","","","0.0945","0.0961","","","","","","1.016","","","","has coordinates","196184","2020-10-21","18:00:00",""
"1545565","4.07206","0.00011","11.9589","0.0003","27.5626","0.0007","90","","90.306","0.002","90","","1342.21","0.06","291","2","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","HB4121","Li, Weijie; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru; Mao, Pu","3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one","IUCrData","2017","2","3","x170373","","10.1107/S241431461700373X","","","1.54184","CuKα","","0.0515","0.0436","","","0.1126","0.1221","","","","","","1.072","","","","has coordinates,has Fobs","194257","2020-10-21","18:00:00",""
"1545566","6.646","0.0007","7.0733","0.0008","17.4356","0.0019","90","","90","","90","","819.63","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium tetracyanidoaurate(III) monohydrate","","- C4 H2 Au K N4 O -","- C4 H2 Au K N4 O -","- C16 H8 Au4 K4 N16 O4 -","4","1","WM4042","Matsushita, Nobuyuki; Noguchi, Wataru; Tanaka, Rikako","Potassium tetracyanidoaurate(III) monohydrate: a redetermination","IUCrData","2017","2","3","","","10.1107/S2414314617003820","","","0.71075","MoKα","","0.018","0.0151","","","0.0317","0.0335","","","","","","1.027","","","","has coordinates,has Fobs","194258","2020-10-21","18:00:00",""
"1545567","7.8114","0.001","3.8832","0.0004","24.362","0.003","90","","99.055","0.005","90","","729.77","0.15","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methyl-1<i>H</i>-indole-2,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","SJ4097","Lyncee, Myrria-Tahisha A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","7-Methyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170378","","10.1107/S2414314617003789","","","0.71073","MoKα","","0.0452","0.0362","","","0.0841","0.0892","","","","","","1.085","","","","has coordinates,has Fobs","194259","2020-10-21","18:00:00",""
"1545570","13.4135","0.0007","16.7937","0.0009","14.9527","0.0008","90","","119.464","0.002","90","","2932.6","0.3","120","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N5 O9 Yb -","- C26 H46 N5 O9 Yb -","- C104 H184 N20 O36 Yb4 -","4","1","","Mason, Kevin; Rogers, Nicola J.; Suturina, Elizaveta A.; Kuprov, Ilya; Aguilar, Juan A.; Batsanov, Andrei S.; Yufit, Dmitry S.; Parker, David","PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes","Inorganic Chemistry","2017","56","7","4028","4038","10.1021/acs.inorgchem.6b02291","","","","","","","","","","","","","","","","","","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545571","11.5223","0.0005","11.5593","0.0005","14.854","0.0006","109.544","0.002","94.088","0.002","113.055","0.002","1668.16","0.13","170","2","170","","","","","","","","","3","P 1","P 1","1","","","","- C63 H101 O23 -","- C63 H101 O23 -","- C63 H101 O23 -","1","1","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","1.54178","CuKα","","0.0422","0.0363","","","0.0906","0.0942","","","","","","1.026","","","","has coordinates","196136","2020-10-21","18:00:00",""
"1545572","9.8524","0.0004","11.3434","0.0004","14.8547","0.0005","90","","97.106","0.002","90","","1647.41","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu","Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids.","Organic letters","2017","19","7","1764","1767","10.1021/acs.orglett.7b00442","","","1.54178","CuKα","","0.0472","0.0395","","","0.1241","0.1325","","","","","","1.092","","","","has coordinates","196185","2020-10-21","18:00:00",""
"1545573","10.4886","0.0007","20.6885","0.0018","10.5508","0.0007","90","","96.517","0.009","90","","2274.7","0.3","107.1","","107.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O6 -","- C24 H27 N3 O6 -","- C96 H108 N12 O24 -","4","1","","Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo","Total Synthesis of (±)-Grandilodine B.","Organic letters","2017","19","7","1828","1830","10.1021/acs.orglett.7b00591","","","0.7107","MoKα","","0.074","0.0524","","","0.1076","0.119","","","","","","1.042","","","","has coordinates","196188","2020-10-21","18:00:00",""
"1545574","7.0297","0.0016","10.925","0.003","15.255","0.003","90","","90","","90","","1171.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0393","0.0334","","","0.0757","0.0791","","","","","","1.039","","","","has coordinates","196189","2020-10-21","18:00:00",""
"1545575","6.399","0.003","11.401","0.006","8.532","0.004","90","","91.285","0.008","90","","622.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0516","0.0493","","","0.0967","0.0982","","","","","","1.012","","","","has coordinates","196189","2020-10-21","18:00:00",""
"1545576","14.062","0.0004","7.4549","0.0003","18.2784","0.0006","90","","104.22","0.004","90","","1857.43","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (E)-2'-methoxy-5'-(phenyldiazenyl)-[1,1'-biphenyl]-4-carboxylate","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Ketels, Marthe; Konrad, David B.; Karaghiosoff, Konstantin; Trauner, Dirk; Knochel, Paul","Selective Lithiation, Magnesiation, and Zincation of Unsymmetrical Azobenzenes Using Continuous Flow","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00460","","","0.71073","MoKα","","0.0702","0.045","","","0.1007","0.1152","","","","","","1.021","","","","has coordinates,has disorder","194277","2020-10-21","18:00:00",""
"1545577","8.1132","0.0002","10.9951","0.0003","11.565","0.0003","63.992","0.002","87.106","0.002","77.999","0.002","905.95","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(4-butyl-2,6-dichlorophenyl)-2-(2,6-dichloro-3-iodophenyl)diazene","","- C16 H13 Cl4 I N2 -","- C16 H13 Cl4 I N2 -","- C32 H26 Cl8 I2 N4 -","2","1","","Ketels, Marthe; Konrad, David B.; Karaghiosoff, Konstantin; Trauner, Dirk; Knochel, Paul","Selective Lithiation, Magnesiation, and Zincation of Unsymmetrical Azobenzenes Using Continuous Flow","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00460","","","0.71073","MoKα","","0.0402","0.0315","","","0.0761","0.0818","","","","","","1.033","","","","has coordinates","194278","2020-10-21","18:00:00",""
"1545578","5.6232","0.0002","22.4248","0.0007","5.8554","0.0002","90","","93.3206","0.0016","90","","737.12","0.04","100","2","100.01","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H16 Br3 F N2 -","- C11 H16 Br3 F N2 -","- C22 H32 Br6 F2 N4 -","2","0.5","","Rosokha, Sergiy V.","Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding","Faraday Discussions","2017","203","","315","332","10.1039/C7FD00074J","","","1.54178","CuKα","","0.022","0.0208","","","0.054","0.0554","","","","","","1.051","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1545579","14.0422","0.0003","5.9462","0.0001","20.4996","0.0004","90","","93.4347","0.0011","90","","1708.6","0.06","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br12 N6 O4 -","- C18 H24 Br12 N6 O4 -","- C36 H48 Br24 N12 O8 -","2","0.5","","Rosokha, Sergiy V.","Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding","Faraday Discussions","2017","203","","315","332","10.1039/C7FD00074J","","","0.71073","MoKα","","0.034","0.0221","","","0.0513","0.0674","","","","","","1.111","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545580","7.5659","0.0001","9.9805","0.0002","10.2418","0.0002","90","","90","","90","","773.37","0.02","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0244","0.0241","","","0.0615","0.062","","","","","","1.06","","","","has coordinates","195190","2020-10-21","18:00:00",""
"1545581","5.8577","0.0001","11.0062","0.0001","11.8828","0.0001","90","","90","","90","","766.096","0.016","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0239","0.0238","","","0.059","0.059","","","","","","1.108","","","","has coordinates","195190","2020-10-21","18:00:00",""
"1545582","12.7908","0.00018","23.3516","0.0002","13.99502","0.00019","90","","117.098","0.0017","90","","3721.26","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C152 H192 O32 S8 -","8","2","","Górski, Bartosz; Talko, Alicja; Basak, Tymoteusz; Barbasiewicz, Michał","Olefination with Sulfonyl Halides and Esters: Scope, Limitations, and Mechanistic Studies of the Hawkins Reaction","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00517","","x-ray","1.54184","CuKα","","0.0385","0.0358","","","0.0963","0.0988","","","","","","1.048","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545583","11.9012","0.0005","9.9211","0.0003","17.3067","0.0006","90","","107.562","0.001","90","","1948.21","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br O2 S -","- C22 H17 Br O2 S -","- C88 H68 Br4 O8 S4 -","4","1","","Yugandar, Somaraju; Konda, Saidulu; Ila, Hiriyakkanavar","Synthesis of Substituted Benzo[b]thiophenes via Sequential One-Pot, Copper-Catalyzed Intermolecular C‒S Bond Formation and Palladium-Catalyzed Intramolecular Arene‒Alkene Coupling of Bis(het)aryl/alkyl-1,3-monothiodiketones and o-Bromoiodoarenes","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00273","","","0.71073","MoKα","","0.0617","0.0425","","","0.0949","0.1046","","","","","","1.027","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545584","10.717","0.002","15.289","0.003","15.415","0.003","90","","90","","90","","2525.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CoCoOPh","CoCoOPh","","- C27 H29 Co2 N7 O -","- C27 H29 Co2 N7 O -","- C108 H116 Co8 N28 O4 -","4","1","","Desai, Sai Puneet; Malonzo, Camille; Webber, Thomas; Duan, Jiaxin; Thompson, Anthony B.; Tereniak, Stephen J.; DeStefano, Matthew R.; Buru, Cassandra T.; Li, Zhanyong; Penn, R. Lee; Farha, Omar; Hupp, J. T.; Stein, Andreas; Lu, Connie","Assembly of Dicobalt and Cobalt-Aluminum Oxide Clusters on Metal-Organic Framework and Nanocast Silica Supports","Faraday Discuss.","2017","","","","","10.1039/C7FD00055C","","","0.71073","MoKα","","0.0345","0.0284","","","0.0621","0.0647","","","","","","1.03","","","","has coordinates","194315","2020-10-21","18:00:00",""
"1545585","7.5629","0.0019","8.205","0.002","20.587","0.005","90","","91.147","0.005","90","","1277.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","PK4014","Jiang, Yidong; Wang, Yifeng","Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate","IUCrData","2017","2","3","x170395","","10.1107/S2414314617003959","","","0.71073","MoKα","","0.0534","0.0434","","","0.1089","0.1158","","","","","","1.036","","","","has coordinates,has Fobs","194324","2020-10-21","18:00:00",""
"1545586","22.8029","0.0015","9.9908","0.0007","9.3304","0.0006","90","","90.247","0.002","90","","2125.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","","- C23 H32 N2 O -","- C23 H32 N2 O -","- C92 H128 N8 O4 -","4","1","VM4021","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol","IUCrData","2017","2","3","x170396","","10.1107/S2414314617003960","","","0.71073","MoKα","","0.1077","0.0696","","","0.1808","0.2145","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","194325","2020-10-21","18:00:00",""
"1545587","9.8504","0.0004","8.5234","0.0004","10.312","0.0004","90","","109.673","0.001","90","","815.25","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2,2,4,4-Tetramethyl-3-(pyridin-2-yl)-1,3,2,4-diazadisiletidin-1-yl]pyridine","","- C14 H20 N4 Si2 -","- C14 H20 N4 Si2 -","- C28 H40 N8 Si4 -","2","0.5","SJ4098","Li, Rui; Duan, Xin-E; Cao, Wei; Wei, Xue-Hong","A pyridyl-substituted cyclodisilazane [(Apy)~2~(μ-SiMe)~2~] (ApyH~2~ = 2-aminopyridine)","IUCrData","2017","2","3","x170400","","10.1107/S241431461700400X","","","0.71073","MoKα","","0.035","0.0321","","","0.0867","0.0893","","","","","","0.99","","","","has coordinates,has Fobs","194326","2020-10-21","18:00:00",""
"1545588","7.1933","0.0009","8.0044","0.001","9.0183","0.0012","81.181","0.006","89.31","0.006","87.721","0.005","512.7","0.11","279","","279","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 N4 S2 -","- C26 H12 N4 S2 -","- C26 H12 N4 S2 -","1","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","1.54187","CuKα","","","0.0966","","","","0.2708","","","","","","0.96","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545589","7.1608","0.0007","7.9489","0.0012","9.1084","0.0012","80.928","0.011","89.567","0.011","87.878","0.012","511.62","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H10 F2 N4 S2 -","- C26 H10 F2 N4 S2 -","- C26 H10 F2 N4 S2 -","1","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","0.71069","MoKα","","","0.0534","","","","0.1467","","","","","","0.969","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545590","7.1911","0.0013","8.039","0.003","9.156","0.003","80.96","0.03","89.226","0.019","88.727","0.019","522.6","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H10 F2 N4 Se2 -","- C26 H10 F2 N4 Se2 -","- C26 H10 F2 N4 Se2 -","1","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","0.71069","MoKα","","","0.0555","","","","0.1417","","","","","","0.965","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545591","7.9628","0.0014","7.062","0.004","19.111","0.004","90","","99.328","0.014","90","","1060.5","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F4 N4 S2 -","- C26 H8 F4 N4 S2 -","- C52 H16 F8 N8 S4 -","2","0.5","","Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko","Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b00902","","","0.71069","MoKα","","","0.0505","","","","0.1443","","","","","","0.991","","","","has coordinates","194333","2020-10-21","18:00:00",""
"1545592","12.2554","0.0007","15.2305","0.0009","13.7518","0.0009","90","","109.929","0.008","90","","2413.1","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Kondoh, Azusa; Kamata, Yuji; Terada, Masahiro","Synthesis of Enantioenriched γ-Amino-α,β-unsaturated Esters Utilizing Palladium-Catalyzed Rearrangement of Allylic Carbamates for Direct Application to Formal [3 + 2] Cycloaddition","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00471","","","0.71075","MoKα","","0.0513","0.0427","","","0.0971","0.1009","","","","","","1.036","","","","has coordinates","194334","2020-10-21","18:00:00",""
"1545593","8.0483","0.0008","7.2282","0.0003","24.2472","0.0018","90","","93.708","0.008","90","","1407.62","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 In N O7 -","- C11 H10 In N O7 -","- C44 H40 In4 N4 O28 -","4","1","","Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J.","In-MOFs based on amide functionalised flexible linkers","Faraday Discuss.","2017","","","","","10.1039/C7FD00085E","","x-ray","0.71073","MoKα","","0.1138","0.0867","","","0.1869","0.1993","","","","","","1.089","","","","has coordinates,has disorder","204141","2020-10-21","18:00:00",""
"1545594","7.2372","0.0004","10.1596","0.0008","11.8645","0.0008","77.815","0.007","78.748","0.005","85.773","0.005","835.84","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 In N2 O7 -","- C12 H11 In N2 O7 -","- C24 H22 In2 N4 O14 -","2","1","","Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J.","In-MOFs based on amide functionalised flexible linkers","Faraday Discuss.","2017","","","","","10.1039/C7FD00085E","","x-ray","0.71073","MoKα","","0.1162","0.0678","","","0.1567","0.1809","","","","","","0.984","","","","has coordinates","194345","2020-10-21","18:00:00",""
"1545595","10.8957","0.0014","13.0496","0.0016","13.9607","0.0017","101.403","0.002","109.481","0.002","104.921","0.002","1718.4","0.4","150","2","149.75","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 O3 P -","- C39 H50.988 O3 P -","- C78 H101.976 O6 P2 -","2","1","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0761","0.0542","","","0.1362","0.1506","","","","","","1.052","","","","has coordinates,has disorder","196329","2020-10-21","18:00:00",""
"1545596","10.2109","0.0013","18.659","0.002","35.308","0.004","90","","94.153","0.002","90","","6709.4","1.4","150","2","149.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 O3 P -","- C38.9645 H50.855 O3 P -","- C311.716 H406.84 O24 P8 -","8","2","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0787","0.0578","","","0.1415","0.1548","","","","","","1.022","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545597","8.0539","0.0004","10.665","0.0006","11.0535","0.0007","105.576","0.005","101.89","0.005","93.681","0.004","887.72","0.09","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Br6 Fe N6 O4 Re -","- C30 H32 Br6 Fe N6 O4 Re -","- C30 H32 Br6 Fe N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0666","0.0493","","","0.0815","0.0875","","","","","","1.069","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545598","13.5159","0.0006","11.114","0.0004","15.7455","0.0008","90","","110.854","0.005","90","","2210.28","0.18","149.94","0.13","149.94","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl6 Co N10 O4 Re -","- C38 H44 Cl6 Co N10 O4 Re -","- C76 H88 Cl12 Co2 N20 O8 Re2 -","2","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0931","0.0704","","","0.125","0.1311","","","","","","1.292","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545599","8.1009","0.0003","10.7229","0.0003","10.9708","0.0003","106.156","0.003","101.328","0.003","93.673","0.003","890.35","0.05","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Br6 Co N6 O4 Re -","- C30 H32 Br6 Co N6 O4 Re -","- C30 H32 Br6 Co N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","1.54184","CuKα","","0.0445","0.0423","","","0.1073","0.1101","","","","","","1.052","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545600","13.4707","0.0005","11.3978","0.0003","15.6234","0.0006","90","","110.044","0.004","90","","2253.47","0.15","250","0.1","250","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl6 Co N10 O4 Re -","- C38 H44 Cl6 Co N10 O4 Re -","- C76 H88 Cl12 Co2 N20 O8 Re2 -","2","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0742","0.0482","","","0.1044","0.1131","","","","","","1.115","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545601","16.0287","0.0005","18.8615","0.0004","22.0793","0.0005","90","","90","","90","","6675.1","0.3","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Cl6 N7 Ni O2 Re -","- C23 H28 Cl6 N7 Ni O2 Re -","- C184 H224 Cl48 N56 Ni8 O16 Re8 -","8","1","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0667","0.0504","","","0.072","0.0764","","","","","","1.208","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545602","13.5101","0.0006","11.2475","0.0004","15.7037","0.0007","90","","110.536","0.005","90","","2234.61","0.18","199.94","0.13","199.94","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl6 Co N10 O4 Re -","- C38 H44 Cl6 Co N10 O4 Re -","- C76 H88 Cl12 Co2 N20 O8 Re2 -","2","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0985","0.0712","","","0.1217","0.129","","","","","","1.278","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545603","7.9831","0.0003","10.5052","0.0005","10.789","0.0004","106.255","0.004","103.909","0.003","92.852","0.003","836.49","0.06","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Cl6 Fe N6 O4 Re -","- C30 H32 Cl6 Fe N6 O4 Re -","- C30 H32 Cl6 Fe N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0378","0.0335","","","0.056","0.0575","","","","","","1.045","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545604","11.3999","0.0004","23.9868","0.0008","14.3655","0.0006","90","","91.166","0.003","90","","3927.4","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Br6 N9 Ni O2 Re -","- C27 H34 Br6 N9 Ni O2 Re -","- C108 H136 Br24 N36 Ni4 O8 Re4 -","4","1","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0795","0.0407","","","0.0739","0.0783","","","","","","0.922","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545605","8.09457","0.00016","10.9775","0.0002","11.5719","0.0003","80.2539","0.0019","78.1007","0.0019","88.8645","0.0016","991.52","0.04","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl6 Co N8 O4 Re -","- C34 H38 Cl6 Co N8 O4 Re -","- C34 H38 Cl6 Co N8 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0231","0.0222","","","0.0453","0.0458","","","","","","1.032","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545606","8.07321","0.0002","10.811","0.0004","11.0629","0.0004","107.144","0.003","100.37","0.002","93.917","0.002","899.99","0.05","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Br6 Cu N6 O4 Re -","- C30 H32 Br6 Cu N6 O4 Re -","- C30 H32 Br6 Cu N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0681","0.0537","","","0.1277","0.1379","","","","","","1.025","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545607","8.0389","0.0002","10.6038","0.0003","10.824","0.0003","107.565","0.003","102.333","0.002","93.278","0.002","851.99","0.04","119.93","0.17","119.93","0.17","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Cl6 Cu N6 O4 Re -","- C30 H32 Cl6 Cu N6 O4 Re -","- C30 H32 Cl6 Cu N6 O4 Re -","1","0.5","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","1.54184","CuKα","","0.0197","0.0195","","","0.0499","0.05","","","","","","1.04","","","","has coordinates,has disorder","196416","2020-10-21","18:00:00",""
"1545608","22.6491","0.0003","22.6491","0.0003","71.0014","0.0013","90","","90","","120","","31542.7","0.8","173","2","173","2","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C744 H1620 Ag246 Cr12 N42 O102 S180 -","6","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71","MoKα","","0.0663","0.0595","","","0.1638","0.172","","","","","","1.024","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545609","17.5994","0.0005","17.5994","0.0005","29.2422","0.0009","90","","90","","120","","7844","0.4","173","2","173","2","","","","","","","","8","P 62","P 62","171","","","","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C150 H294 Ag60 Cr15 F36 N12 O90 S30 -","3","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.0635","0.043","","","0.0621","0.0689","","","","","","1.102","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545610","47.992","0.003","50.873","0.003","64.857","0.004","90","","90","","90","","158348","17","100","2","100.15","","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C4608 H5440 Ag752 Cr64 F864 N64 O896 S384 -","16","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.2393","0.127","","","0.2998","0.4121","","","","","","1.084","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545611","32.963","0.0004","28.784","0.0004","21.7978","0.0003","90","","96.6012","0.0012","90","","20544.8","0.5","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C114 H240 Ag40 Cr5 F9 O26 S27 -","- C114 H240 Ag40 Cr5 F9 O26 S27 -","- C456 H960 Ag160 Cr20 F36 O104 S108 -","4","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","1.54184","CuKα","","0.1091","0.0717","","","0.1899","0.2231","","","","","","1.023","","","","has coordinates,has disorder","196475","2020-10-21","18:00:00",""
"1545612","17.603","0.0003","17.603","0.0003","29.2412","0.0005","90","","90","","120","","7846.9","0.2","173","2","173","2","","","","","","","","8","P 64","P 64","172","","","","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C150 H294 Ag60 Cr15 F36 N12 O90 S30 -","3","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.0316","0.026","","","0.0404","0.0417","","","","","","1.025","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545613","9.1117","0.0018","11.229","0.002","12.539","0.003","95.86","0.03","103.5","0.03","102.41","0.03","1202.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N P Pt -","- C29 H26 N P Pt -","- C58 H52 N2 P2 Pt2 -","2","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.0546","0.0424","","","0.0952","0.0982","","","","","","0.952","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545614","9.759","0.002","10.351","0.002","23.222","0.005","90","","100.86","0.03","90","","2303.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N P Pt -","- C27 H26 N P Pt -","- C108 H104 N4 P4 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.0777","0.0458","","","0.0987","0.1159","","","","","","0.926","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545615","9.6029","0.0019","13.097","0.003","19.63","0.004","90","","100.17","0.03","90","","2430.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N P Pt -","- C30 H26 N P Pt -","- C120 H104 N4 P4 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.073","0.0397","","","0.0828","0.0952","","","","","","0.869","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545616","7.615","0.006","9.703","0.007","52","0.03","90","","90","","90","","3842","5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 Fe2 N4 O2 S2 -","- C42 H44 Fe2 N4 O2 S2 -","- C168 H176 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0632","0.058","","","0.1338","0.137","","","","","","1.115","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545617","9.707","0.002","14.545","0.003","20.921","0.004","90","","90","","90","","2953.8","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0333","0.0263","","","0.0537","0.0563","","","","","","1.02","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545618","9.7134","0.0008","14.5357","0.0012","20.8935","0.0017","90","","90","","90","","2950","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0487","0.0331","","","0.0592","0.0647","","","","","","1.024","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545619","19.3","0.008","14.581","0.007","24.167","0.01","90","","94.227","0.01","90","","6782","5","273","","273","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C112 H72 Br8 N16 Ni3 O16 -","- C112 H72 Br8 N16 Ni3 O16 -","- C224 H144 Br16 N32 Ni6 O32 -","2","0.5","","He, Xiaohui; Deng, Yingjiao; Jiang, Xiong; Wang, Zijie; Yang, Yingping; Han, Zhilong; Chen, Defu","Copolymerization of norbornene and butyl methacrylate at elevated temperatures by a single centre nickel catalyst bearing bulky bis(α-diimine) ligand with strong electron-withdrawing groups","Polym. Chem.","2017","8","15","2390","","10.1039/C7PY00081B","","","0.71073","MoKα","","0.1363","0.0876","","","0.2213","0.2518","","","","","","1.03","","","","has coordinates,has disorder","196526","2020-10-21","18:00:00",""
"1545620","7.1675","0.0004","8.8143","0.0006","10.6613","0.0007","91.968","0.004","96.362","0.003","94.745","0.003","666.46","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-3-methylpyridinium 2-carboxybenzoate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","BT4045","Sivakumar, P.; Anzline, C.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium hydrogen phthalate","IUCrData","2017","2","3","x170422","","10.1107/S2414314617004229","","","0.71073","MoKα","","0.1254","0.0594","","","0.142","0.1891","","","","","","1.021","","","","has coordinates,has Fobs","194414","2020-10-21","18:00:00",""
"1545621","7.3834","0.0002","11.7331","0.0003","16.9144","0.0004","90","","101.731","0.001","90","","1434.69","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","1","SU4133","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170315","","10.1107/S2414314617003157","","","1.54178","CuKα","","0.0634","0.0567","","","0.1596","0.1662","","","","","","1.055","","","","has coordinates,has Fobs","194415","2020-10-21","18:00:00",""
"1545622","6.5995","0.0003","13.4865","0.0004","18.2435","0.0007","90","","90","","90","","1623.75","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C17 H24 Cl2 -","- C17 H24 Cl2 -","- C68 H96 Cl8 -","4","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2017","2","3","x170421","","10.1107/S2414314617004217","","","0.71073","MoKα","","0.074","0.0435","","","0.0891","0.1017","","","","","","1.019","","","","has coordinates,has Fobs","194416","2020-10-21","18:00:00",""
"1545623","9.4083","0.0003","9.514","0.0003","12.7168","0.0004","86.863","0.001","79.175","0.001","71.222","0.001","1058.5","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","- C22 H23 Cl N2 O2 S -","- C22 H23 Cl N2 O2 S -","- C44 H46 Cl2 N4 O4 S2 -","2","1","SJ4096","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","IUCrData","2017","2","3","x170390","","10.1107/S241431461700390X","","","1.54178","CuKα","","0.0384","0.0354","","","0.0928","0.0957","","","","","","1.033","","","","has coordinates,has Fobs","194417","2020-10-21","18:00:00",""
"1545630","8.366","0.0014","21.114","0.003","7.4894","0.0014","90","","111.841","0.009","90","","1228","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Jeganmohan, Masilamani; Reddy, Mallu Chenna","Total Synthesis of Aristolactam Alkaloids via Synergistic C-H Bond Activation and Dehydro-Diels-Alder Reactions","Chem. Sci.","2017","","","","","10.1039/C7SC00161D","","","0.71073","MoKα","","0.1164","0.0581","","","0.1402","0.1742","","","","","","0.897","","","","has coordinates","194461","2020-10-21","18:00:00",""
"1545631","12.2308","0.0002","12.6838","0.0002","13.0436","0.0009","83.137","0.006","68.061","0.005","70.096","0.005","1764.77","0.15","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0974","0.08","","","0.2156","0.2652","","","","","","1.21","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545632","12.4864","0.0012","12.4925","0.0012","13.6444","0.0012","65.751","0.009","82.594","0.007","69.191","0.009","1813.6","0.3","270","2","270","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0701","0.048","","","0.1203","0.1397","","","","","","1","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545633","12.43","0.003","12.336","0.003","13.183","0.003","111.83","0.03","99.23","0.03","66.05","0.03","1714.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","Synchrotron","","0.0884","0.0578","","","0.1453","0.1616","","","","","","1.041","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545634","12.4632","0.0003","12.6561","0.0003","13.365","0.0009","83.298","0.006","67.3","0.005","69.644","0.005","1823","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0965","0.0804","","","0.2206","0.2624","","","","","","1.152","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545635","12.0127","0.0013","12.6193","0.0013","13.2123","0.0014","110.546","0.004","92.31","0.004","111.271","0.002","1715.2","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H23 F3 Fe I2 N5 O5 S -","- C35 H23 F3 Fe I2 N5 O5 S -","- C70 H46 F6 Fe2 I4 N10 O10 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0662","0.0539","","","0.1416","0.147","","","","","","1.097","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545636","11.476","0.0012","13.0698","0.0016","13.4649","0.0016","71.342","0.011","87.437","0.009","68.674","0.011","1776.5","0.4","170","0.1","170","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.7107","MoKα","","0.0664","0.0433","","","0.0924","0.1101","","","","","","1.041","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545637","11.5003","0.0002","13.1342","0.0003","13.5498","0.001","71.652","0.005","87.488","0.006","68.858","0.005","1806.23","0.17","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0957","0.0841","","","0.2191","0.2653","","","","","","1.208","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545638","11.5289","0.0009","13.1814","0.0011","13.6233","0.0012","71.947","0.005","87.644","0.006","68.871","0.005","1830.2","0.3","292","2","292","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1089","0.0809","","","0.1889","0.2282","","","","","","1.114","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545639","12.232","0.002","12.547","0.003","13.279","0.003","81.89","0.03","67.04","0.03","68.25","0.03","1742.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","synchrotron","","0.0537","0.05","","","0.1238","0.1305","","","","","","1.063","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545640","10.3759","0.0004","12.8053","0.0005","13.8091","0.001","79.08","0.006","76.267","0.005","86.609","0.006","1749.85","0.17","137","2","137","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.093","0.0829","","","0.2156","0.2451","","","","","","1.205","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545641","10.3585","0.0006","12.9759","0.0006","14.1074","0.0003","78.558","0.006","76.606","0.006","86.265","0.004","1807.59","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1158","0.092","","","0.2474","0.3028","","","","","","1.151","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545642","12.0803","0.0004","14.827","0.0005","13.7314","0.0005","90","","114.984","0.001","90","","2229.35","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O5 -","- C23 H30 N2 O5 -","- C92 H120 N8 O20 -","4","1","","Liu, Shunying; Jiang, Jun; Chen, Jianghui; Wei, Qinghua; Yao, Wenfeng; Xia, Fei; Hu, Wenhao","A DFT Calculation-inspiring Rh(I)-catalyzed Reaction via Suppression of α-H Shift in α-Alkyldiazoacetates","Chem. Sci.","2017","","","","","10.1039/C7SC00257B","","","0.71073","MoKα","","0.0689","0.047","","","0.1285","0.1483","","","","","","1.038","","","","has coordinates","194463","2020-10-21","18:00:00",""
"1545647","12.6867","0.0006","21.7492","0.001","8.1393","0.0004","90","","90.772","0.001","90","","2245.64","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","2","HB4127","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate","IUCrData","2017","2","3","x170432","","10.1107/S2414314617004321","","","0.71073","MoKα","","0.0581","0.0505","","","0.1376","0.1419","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","194511","2020-10-21","18:00:00",""
"1545648","17.57","0.003","6.3994","0.001","8.869","0.0015","90","","95.641","0.008","90","","992.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen","3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol","IUCrData","2017","2","3","x170429","","10.1107/S2414314617004291","","","0.71073","MoKα","","0.0519","0.0437","","","0.1189","0.1262","","","","","","1.083","","","","has coordinates,has Fobs","194512","2020-10-21","18:00:00",""
"1545649","7.8931","0.0008","9.9295","0.001","10.2411","0.0011","101.751","0.001","105.968","0.002","109.482","0.001","687.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","","- C15 H10 Br2 N2 O -","- C15 H10 Br2 N2 O -","- C30 H20 Br4 N4 O2 -","2","1","BH4023","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; Mohamed Abdelahi, Mohamed Mokhtar; Essassi, El Mokhtar; Mague, Joel T.","(3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one","IUCrData","2017","2","3","x170389","","10.1107/S2414314617003893","","","0.71073","MoKα","","0.0326","0.0282","","","0.0716","0.0731","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","194513","2020-10-21","18:00:00",""
"1545650","7.412","0.002","10.963","0.004","11.07","0.004","105.124","0.018","95.633","0.018","104.398","0.017","828.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","PM_I_2C","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C40 H32 Cl2 N2 O4 -","2","1","HB4122","Preveena, Narasimhamurthy; Hosamani, Amar A.; Praveen, Managutti; Nagendrappa, Gopalpur; Guru Row, Tayur N.","<i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone","IUCrData","2017","2","3","x170434","","10.1107/S2414314617004345","","","0.71073","MoKα","","0.0511","0.0422","","","0.1191","0.1244","","","","","","1.126","","","","has coordinates,has Fobs","194514","2020-10-21","18:00:00",""
"1545651","7.704","0.0018","9.325","0.002","25.54","0.006","90","","90","","90","","1834.8","0.7","296","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","XU4024","Meng, Chen-Hong; Xia, Ai-Bao","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","IUCrData","2017","2","3","x170412","","10.1107/S2414314617004126","","","0.71073","MoKα","","0.1034","0.0417","","","0.0805","0.0982","","","","","","0.997","","","","has coordinates,has Fobs","194515","2020-10-21","18:00:00",""
"1545652","7.4526","0.0017","7.9888","0.0019","10.692","0.002","85.916","0.01","80.181","0.01","65.237","0.01","569.6","0.2","200","2","200","","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","","- C8 H8 N Na O7 S -","- C8 H8 N Na O7 S -","- C16 H16 N2 Na2 O14 S2 -","2","1","WM4043","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]","IUCrData","2017","2","3","x170440","","10.1107/S2414314617004400","","","0.71073","MoKα","","0.0465","0.0339","","","0.0774","0.0825","","","","","","1.061","","","","has coordinates,has Fobs","194516","2020-10-21","18:00:00",""
"1545654","8.86","0.0018","10.405","0.002","18.908","0.004","100.08","0.03","94.73","0.03","99.66","0.03","1680.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C66 H84 O24 -","6","3","","Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian","A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid.","Organic letters","2017","19","7","1748","1751","10.1021/acs.orglett.7b00507","","","0.71073","MoKα","","0.1761","0.0961","","","0.2139","0.2514","","","","","","1.019","","","","has coordinates,has disorder","196181","2020-10-21","18:00:00",""
"1545656","10.0039","0.0012","11.6625","0.0013","25.912","0.003","90","","94.479","0.003","90","","3013.9","0.6","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H29 Br N2 O2 -","- C37 H29 Br N2 O2 -","- C148 H116 Br4 N8 O8 -","4","2","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0591","0.0424","","","0.1041","0.1103","","","","","","1.024","","","","has coordinates","196186","2020-10-21","18:00:00",""
"1545657","12.4503","0.0007","9.3115","0.0004","15.1532","0.0008","90","","103.909","0.002","90","","1705.22","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H39 Br N2 O3 -","- C41 H39 Br N2 O3 -","- C82 H78 Br2 N4 O6 -","2","1","","Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin","Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].","Organic letters","2017","19","7","1862","1865","10.1021/acs.orglett.7b00625","","","0.71073","MoKα","","0.0653","0.0455","","","0.0891","0.0956","","","","","","1.002","","","","has coordinates","196186","2020-10-21","18:00:00",""
"1545658","17.1821","0.0002","6.16924","0.00007","17.8483","0.0002","90","","106.502","0.0015","90","","1814","0.04","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C17 H30 N O5 -","- C17 H30 N O5 -","- C68 H120 N4 O20 -","4","1","","Garmendia, Sofiem; Mantione, Daniele; Alonso-de Castro, Silvia; Jehanno, Coralie; Lezama, Luis; Hedrick, James L.; Mecerreyes, David; Salassa, Luca; Sardon, Haritz","Polyurethane based organic macromolecular contrast agents (PU-ORCAs) for magnetic resonance imaging","Polym. Chem.","2017","8","17","2693","","10.1039/C7PY00166E","","x-ray","1.54184","CuKα","","0.0362","0.0338","","","0.0858","0.0878","","","","","","1.028","","","","has coordinates","196525","2020-10-21","18:00:00",""
"1545659","10.429","0.006","8.033","0.004","13.269","0.007","90","","95.243","0.01","90","","1107","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O -","- C28 H32 O -","- C56 H64 O2 -","2","1","","Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang","Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes.","Organic letters","2017","19","7","1744","1747","10.1021/acs.orglett.7b00499","","","0.71073","MoKα","","0.072","0.043","","","0.0873","0.1011","","","","","","1.02","","","","has coordinates","196180","2020-10-21","18:00:00",""
"1545660","6.04388","0.00008","22.18157","0.00015","13.72525","0.00015","90","","92.9646","0.0012","90","","1837.58","0.03","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H44 Br N O6 S Si -","- C32 H36 Br N O6 S Si -","- C64 H72 Br2 N2 O12 S2 Si2 -","2","1","","Milde, Bastian; Pawliczek, Martin; Jones, Peter G.; Werz, Daniel B.","Enantioselective Total Synthesis of (+)-Lysergol: A Formal anti-Carbopalladation/Heck Cascade as the Key Step","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00675","","","1.54184","CuKα","","0.0374","0.0365","","","0.0956","0.0964","","","","","","1.016","","","","has coordinates","194627","2020-10-21","18:00:00",""
"1545661","13.7608","0.0004","7.3158","0.0002","17.9639","0.0005","90","","104.13","0.001","90","","1753.73","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0556","0.0442","","","0.1249","0.1358","","","","","","1.041","","","","has coordinates","196187","2020-10-21","18:00:00",""
"1545662","7.1873","0.0004","16.9756","0.001","26.5949","0.0016","90","","90","","90","","3244.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C128 H136 O40 -","4","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.1041","0.0702","","","0.1814","0.1994","","","","","","0.994","","","","has coordinates","196187","2020-10-21","18:00:00",""
"1545663","7.7914","0.0009","8.255","0.0009","16.9969","0.0019","92.455","0.003","97.868","0.004","111.507","0.003","1002.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C36 H48 O12 -","2","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0537","0.043","","","0.1225","0.1278","","","","","","1.082","","","","has coordinates","196187","2020-10-21","18:00:00",""
"1545664","8.875","0.007","10.93","0.008","11.258","0.009","112.189","0.009","98.039","0.009","93.399","0.009","993.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 B N2 O -","- C24 H23 B N2 O -","- C48 H46 B2 N4 O2 -","2","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","","0.71073","MoKα","","0.0922","0.0608","","","0.1625","0.1814","","","","","","1.071","","","","has coordinates","196174","2020-10-21","18:00:00",""
"1545665","8.2331","0.0006","13.1144","0.001","25.5836","0.0019","90","","90","","90","","2762.3","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","o-tol","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","1","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.1237","0.0758","","","0.2059","0.2586","","","","","","1.088","","","","has coordinates","194645","2020-10-21","18:00:00",""
"1545666","14.2946","0.0013","14.013","0.001","15.2327","0.0011","90","","104.76","0.003","90","","2950.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-xyBF2","","","- C17 H15 B F2 O2 -","- C17 H15 B F2 O2 -","- C136 H120 B8 F16 O16 -","8","2","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.126","0.0583","","","0.1484","0.1931","","","","","","0.876","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545667","7.1998","0.0017","14.199","0.003","14.276","0.004","90","","102.928","0.005","90","","1422.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-tolBF2","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C64 H52 B4 F8 O8 -","4","1","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.22","0.0788","","","0.2089","0.2597","","","","","","0.801","","","","has coordinates,has disorder","194645","2020-10-21","18:00:00",""
"1545668","9.956","0.002","7.274","0.0015","21.198","0.004","90","","91.92","0.03","90","","1534.3","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","","Peng, Lu; Xu, Shidang; Zheng, Xiaokun; Cheng, Xiamin; Zhang, Ruoyu; Liu, Jie; Liu, Bin; Tong, Aijun","Rational Design of a Red-Emissive Fluorophore with AIE and ESIPT Characteristics and Its Application in Light-Up Sensing of Esterase.","Analytical chemistry","2017","89","5","3162","3168","10.1021/acs.analchem.6b04974","","","0.71073","MoKα","","0.1338","0.0887","","","0.1217","0.1386","","","","","","1.071","","","","has coordinates,has disorder","194661","2020-10-21","18:00:00",""
"1545669","21.052","0.006","9.434","0.003","29.833","0.009","90","","90","","90","","5925","3","100","","100","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C33 H21 F6 N4 Ni P -","- C33 H21 F6 N4 Ni P -","- C264 H168 F48 N32 Ni8 P8 -","8","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.1365","0.1038","","","0.2696","0.2927","","","","","","1.046","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545670","8.9811","0.0001","11.1167","0.0001","27.2624","0.0003","90","","99.056","0.001","90","","2687.95","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 N4 O3 Pd -","- C35 H26 N4 O3 Pd -","- C140 H104 N16 O12 Pd4 -","4","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.0768","0.0589","","","0.1731","0.1875","","","","","","1.027","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545671","21.0949","0.0015","9.3501","0.0006","30.015","0.002","90","","90","","90","","5920.1","0.7","100","","100","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H21 Cl0 F6 N4 P Pd -","- C33 H21 F6 N4 P Pd -","- C264 H168 F48 N32 P8 Pd8 -","8","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.1176","0.0851","","","0.23","0.2486","","","","","","1.091","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545672","15.541","0.005","30.436","0.005","12.894","0.005","90","0.005","99.353","0.005","90","0.005","6018","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 F12 N8 P2 Pd2 -","- C66 H40 F12 N8 P2 Pd2 -","- C264 H160 F48 N32 P8 Pd8 -","4","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71069","MoKα","","0.1753","0.0842","","","0.1958","0.2274","","","","","","0.949","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545673","13.3231","0.0002","13.3242","0.0002","9.37918","0.00006","90","","90","","90","","1664.99","0.04","","","","","","","","","","","","4","P c c 2","P 2 -2c","27","Sr4Al6O12SO4","","","- Al6 O16 S Sr4 -","- Al6 O16 S Sr4 -","- Al24 O64 S4 Sr16 -","4","1","","Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K.","Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 298 K","Journal of the Ceramic Society of Japan","2017","125","","364","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","194762","2020-10-21","18:00:00",""
"1545674","9.42561","0.00003","9.42561","0.00003","9.42561","0.00003","90","","90","","90","","837.391","0.005","","","","","","","","","","","","4","I 2 3","I 2 2 3","197","Sr4Al6O12SO4 at 573 K","","","- Al6 O16 S Sr4 -","- Al6 O16.208 S Sr4 -","- Al12 O32.416 S2 Sr8 -","2","0.0833333","","Banno, H.; Ichikawa, S.; Takeda, S.; Asaka, T.; Colas, M.; Thomas, P.; Fukuda, K.","Crystal structures and polymorphism of Sr4[Al6O12]SO4 :data @ 573 K","Journal of the Ceramic Society of Japan","2017","125","","364","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","194763","2020-10-21","18:00:00",""
"1545675","27.621","0.009","11.002","0.003","15.786","0.005","90","","102.12","0.013","90","","4690","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 Cl F N O6 -","- C25 H27 Cl F N O6 -","- C200 H216 Cl8 F8 N8 O48 -","8","1","","Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.","Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.","Molecular pharmaceutics","2017","14","4","1278","1291","10.1021/acs.molpharmaceut.7b00003","","","0.71073","MoKα","","0.0717","0.0546","","","0.1729","0.1973","","","","","","1.089","","","","has coordinates","194764","2020-10-21","18:00:00",""
"1545676","9.66794","0.00007","8.67141","0.00005","5.29192","0.00004","90","","110.094","0.0006","90","","416.641","0.005","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","LiFeSi2O6","","","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","0.5","","Ishida, N.; Sakatsume, K.; Kitamura, N.; Idemoto, Y.","Improvement of electrochemical property of pyroxene-type LiFeSi2O6 and crystal-structure analysis","Journal of the Ceramic Society of Japan","2017","125","","281","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","194770","2020-10-21","18:00:00",""
"1545677","9.8614","0.0019","11.994","0.002","13.532","0.003","90","","90","","90","","1600.5","0.5","98","","98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","","0.71075","MoKα","","0.0378","0.0365","","","0.0847","0.0855","","","","","","1.02","","","","has coordinates","194772","2020-10-21","18:00:00",""
"1545678","9.8938","0.0009","13.3712","0.0012","15.521","0.0014","64.492","0.001","78.484","0.001","71.755","0.001","1755","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","[?5:Cs(diglyme)?6-K:?3-K(diglyme)(corannulene trianion)]","","- C32 H38 Cs K2 O6 -","- C32 H38 Cs K2 O6 -","- C64 H76 Cs2 K4 O12 -","2","1","","Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A.","Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts","Chem. Sci.","2017","8","4","3137","","10.1039/C6SC05370J","","","0.71073","MoKα","","0.0549","0.0497","","","0.1158","0.1204","","","","","","1.048","","","","has coordinates,has disorder","194904","2020-10-21","18:00:00",""
"1545679","11.1768","0.0008","17.5414","0.0015","9.0952","0.0007","90","","92.607","0.004","90","","1781.3","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N3 O4 Re -","- C16 H13 Cl N3 O4 Re -","- C64 H52 Cl4 N12 O16 Re4 -","4","1","","Chabolla, S. A.; Machan, C. W.; Yin, J.; Dellamary, E. A.; Sahu, S.; Gianneschi, N. C.; Gilson, M. K.; Tezcan, F. A.; Kubiak, C. P.","Bio-inspired CO2 reduction by a rhenium tricarbonyl bipyridine-based catalyst appended to amino acids and peptidic platforms: incorporating proton relays and hydrogen-bonding functional groups","Faraday Discuss.","2017","","","","","10.1039/C7FD00003K","","x-ray","0.71073","MoKα","","0.1196","0.0643","","","0.1264","0.1466","","","","","","1.043","","","","has coordinates","194916","2020-10-21","18:00:00",""
"1545680","8.4492","0.0007","9.1167","0.0005","9.1545","0.0008","81.461","0.006","77.033","0.007","80.551","0.006","673.27","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C28 H20 Cl4 N4 O4 -","2","1","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0888","0.0491","","","0.0922","0.1183","","","","","","0.977","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545681","8.3558","0.0004","12.7516","0.0009","13.0135","0.0009","78.05","0.006","77.167","0.005","88.734","0.004","1322.24","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0564","0.0433","","","0.107","0.1193","","","","","","1.042","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545682","7.2798","0.0009","13.2794","0.0015","14.5473","0.0009","87.618","0.007","80.816","0.007","75.707","0.01","1345.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.1063","0.0616","","","0.1604","0.2179","","","","","","0.988","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545683","7.4309","0.0014","13.296","0.002","14.694","0.003","87.6","0.006","80.034","0.007","75.859","0.007","1386.5","0.4","453","2","453","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","0.71073","MoKα","","0.0639","0.0541","","","0.1472","0.1572","","","","","","1.044","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545684","8.3928","0.0007","9.2815","0.0008","9.3877","0.0008","81.62","0.007","75.049","0.007","81.589","0.007","694.45","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Br2 N2 O2 -","- C14 H10 Br2 N2 O2 -","- C28 H20 Br4 N4 O4 -","2","1","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0407","0.0369","","","0.0965","0.1007","","","","","","1.05","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545685","8.4678","0.0006","9.6066","0.0007","9.6522","0.0007","81.239","0.002","84.45","0.002","72.336","0.002","738.36","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 I2 N2 O2 -","- C14 H10 I2 N2 O2 -","- C28 H20 I4 N4 O4 -","2","1","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","0.71073","MoKα","","0.0489","0.0337","","","0.0742","0.0809","","","","","","1.017","","","","has coordinates","195194","2020-10-21","18:00:00",""
"1545686","14.853","0.003","7.5783","0.0013","19.985","0.003","90","","101.843","0.003","90","","2201.6","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F5 N O -","- C23 H24 F5 N O -","- C92 H96 F20 N4 O4 -","4","1","","Zhao, Qun; Tognetti, Vincent; Joubert, Laurent; Besset, Tatiana; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Poisson, Thomas","Palladium-Catalyzed Synthesis of 3-Trifluoromethyl-Substituted 1,3-Butadienes by Means of Directed C-H Bond Functionalization.","Organic letters","2017","19","8","2106","2109","10.1021/acs.orglett.7b00704","","x-ray","0.71073","MoKα","","0.1126","0.0838","","","0.1938","0.2092","","","","","","1.189","","","","has coordinates,has disorder","196168","2020-10-21","18:00:00",""
"1545687","9.4823","0.0006","9.4823","0.0006","24.418","0.002","90","","90","","90","","2195.5","0.3","100","2","100","","","","","","","","","6","P 41","P 4w","76","JLH-3-168","JLH-3-168","","- C23 H20 Br2 N2 Ni O2 -","- C23 H20 Br2 N2 Ni O2 -","- C92 H80 Br8 N8 Ni4 O8 -","4","1","","Suzuki, Naoyuki; Hofstra, Julie L.; Poremba, Kelsey E.; Reisman, Sarah E.","Nickel-Catalyzed Enantioselective Cross-Coupling of N-Hydroxyphthalimide Esters with Vinyl Bromides.","Organic letters","2017","19","8","2150","2153","10.1021/acs.orglett.7b00793","","","0.71073","MoKα","","0.058","0.047","","","0.1114","0.1168","","","","","","1.056","","","","has coordinates","196176","2020-10-21","18:00:00",""
"1545688","21.1207","0.0014","11.2623","0.0008","22.7007","0.0015","90","","114.329","0.001","90","","4920.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C95 H112 B2 Cl6 F8 Ir2 N10 S2 -","- C95 H112 B2 Cl6 F8 Ir2 N10 S2 -","- C190 H224 B4 Cl12 F16 Ir4 N20 S4 -","2","0.5","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0554","0.0406","","","0.0902","0.0971","","","","","","1.039","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545689","20.444","0.001","18.957","0.001","20.8205","0.0011","90","","90","","90","","8069.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H53 B F4 Ir N5 -","- C42 H53 B F4 Ir N5 -","- C336 H424 B8 F32 Ir8 N40 -","8","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0571","0.031","","","0.0676","0.0789","","","","","","1.03","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545690","11.1839","0.0007","11.2131","0.0007","19.4442","0.0012","89.534","0.001","80.579","0.001","85.221","0.001","2397.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H57 B Cl2 F4 Ir N5 -","- C49.003 H57.006 B Cl2.003 F4 Ir N5 -","- C98.006 H114.012 B2 Cl4.006 F8 Ir2 N10 -","2","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0398","0.0331","","","0.0783","0.082","","","","","","1.066","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545691","10.302","0.002","19.2","0.004","25.761","0.005","90","","93.99","0.03","90","","5083.1","1.8","173.15","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C65 H50 Br2 N2 Ni -","- C65 H50 Br2 N2 Ni -","- C260 H200 Br8 N8 Ni4 -","4","1","","Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua","Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY00434F","","","0.71073","MoKα","","0.0875","0.0778","","","0.2153","0.2374","","","","","","1.062","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545692","15.579","0.003","20.196","0.004","21.046","0.004","90","","94.22","0.03","90","","6604","2","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H58 Br2 N2 Ni -","- C69 H58 Br2 N2 Ni -","- C276 H232 Br8 N8 Ni4 -","4","1","","Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua","Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY00434F","","","0.71073","MoKα","","0.1232","0.0944","","","0.2417","0.2632","","","","","","1.124","","","","has coordinates","195237","2020-10-21","18:00:00",""
"1545693","8.2479","0.0003","13.1646","0.0004","28.6827","0.0009","90","","90","","90","","3114.38","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O11 -","- C34 H37 N O11 -","- C136 H148 N4 O44 -","4","1","","Wang, Guo-Cai; Fan, Yao-Yue; Shyaula, Sajan L.; Yue, Jian-Min","Triconoids A‒D, Four Limonoids Possess Two Rearranged Carbon Skeletons from Trichilia connaroides","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00873","","","1.54178","CuKα","","0.0526","0.05","","","0.1471","0.1505","","","","","","1.092","","","","has coordinates","195247","2020-10-21","18:00:00",""
"1545694","11.5218","0.0004","9.9089","0.0003","16.3736","0.0005","90","","90","","90","","1869.35","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RD-1-181","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Dhungana, Roshan K.; Shrestha, Bijay; Thapa-Magar, Rajani; Basnet, Prakash; Giri, Ramesh","Pd-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Unactivated Olefins by a Heck Reaction/Enolate Cyclization Cascade.","Organic letters","2017","19","8","2154","2157","10.1021/acs.orglett.7b00794","","","0.71073","MoKα","","0.0583","0.0416","","","0.0791","0.0858","","","","","","1.021","","","","has coordinates","196177","2020-10-21","18:00:00",""
"1545695","6.9626","0.001","11.1199","0.0015","11.382","0.002","75.755","0.014","89.506","0.014","83.992","0.012","849.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Br2 O2 -","- C20 H14 Br2 O2 -","- C40 H28 Br4 O4 -","2","1","","Corici, Livia; Sova, Sergiu; Badea, Valentin; Aparaschivei, Diana; Costisor, Otilia; Cseh, Liliana","Investigations on photochromic properties of 2,6-bis(5-bromo-2-hydroxybenzylidene)cyclohexanone","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C6PP00466K","","x-ray","0.71073","MoKα","","0.0665","0.0406","","","0.0698","0.0785","","","","","","0.986","","","","has coordinates","195259","2020-10-21","18:00:00",""
"1545696","13.2991","0.0006","20.2762","0.0012","15.0236","0.0007","90","","91.184","0.005","90","","4050.3","0.4","200","0.14","200","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15.75 Br2 Cl O6.38 -","- C20 H15.75 Br2 Cl O6.375 -","- C160 H126 Br16 Cl8 O51 -","8","4","","Corici, Livia; Sova, Sergiu; Badea, Valentin; Aparaschivei, Diana; Costisor, Otilia; Cseh, Liliana","Investigations on photochromic properties of 2,6-bis(5-bromo-2-hydroxybenzylidene)cyclohexanone","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C6PP00466K","","x-ray","0.71073","MoKα","","0.1335","0.0759","","","0.1755","0.2089","","","","","","1.018","","","","has coordinates,has disorder","195259","2020-10-21","18:00:00",""
"1545697","9.9804","0.0017","10.4605","0.0018","12.323","0.002","79.674","0.002","72.628","0.001","78.533","0.001","1193.4","0.3","571","2","571.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F6 N4 S2 -","- C22 H18 F6 N4 S2 -","- C44 H36 F12 N8 S4 -","2","1","","Wei, Fang; Zhou, Tong; Ma, Yudao; Tung, Chen-Ho; Xu, Zhenghu","Bench-Stable 5-Stannyl Triazoles by a Copper(I)-Catalyzed Interrupted Click Reaction: Bridge to Trifluoromethyltriazoles and Trifluoromethylthiotriazoles.","Organic letters","2017","19","8","2098","2101","10.1021/acs.orglett.7b00701","","","0.71073","MoKα","","0.0708","0.0544","","","0.1328","0.1522","","","","","","1.095","","","","has coordinates","196169","2020-10-21","18:00:00",""
"1545698","22.0726","0.0004","22.0726","0.0004","22.0726","0.0004","90","","90","","90","","10753.8","0.3","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","ain834","","","- C28 H20 Co4 F12 N4 O12 -","- C28 H20 Co4 F12 N4 O12 -","- C336 H240 Co48 F144 N48 O144 -","12","0.25","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0208","0.0198","","","0.0451","0.0456","","","","","","1.108","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545699","11.6403","0.0003","11.6403","0.0003","17.0402","0.0006","90","","90","","90","","2308.89","0.12","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","ain875","","","- C50 H46 Co4 N10 O8 -","- C50 H46 Co4 N10 O8 -","- C100 H92 Co8 N20 O16 -","2","0.25","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0233","0.0219","","","0.0577","0.0585","","","","","","1.094","","","","has coordinates","195271","2020-10-21","18:00:00",""
"1545700","10.785","0.002","32.382","0.006","12.34","0.002","90","","102.579","0.004","90","","4206.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain852","","","- C42 H39 Co4 N9 O11 -","- C42 H39 Co4 N9 O11 -","- C168 H156 Co16 N36 O44 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0578","0.0426","","","0.1083","0.118","","","","","","1.053","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545701","19.215","0.0005","17.7981","0.0005","19.7244","0.0006","90","","90","","90","","6745.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","jw116b","","","- C28 H26 Co4 F6 N4 O12 -","- C28 H26 Co4 F6 N4 O12 -","- C224 H208 Co32 F48 N32 O96 -","8","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0731","0.0482","","","0.1156","0.1292","","","","","","1.048","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545702","12.5503","0.0008","16.0178","0.0011","24.6472","0.0019","90","","96.307","0.001","90","","4924.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain832","","","- C50 H46 Co4 N14 O8 -","- C50 H46 Co4 N14 O8 -","- C200 H184 Co16 N56 O32 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0787","0.0666","","","0.163","0.175","","","","","","1.096","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545703","15.022","0.005","15.858","0.005","19.859","0.005","90","0.005","110","0.005","90","0.005","4445","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ain778b","","","- C31 H34 Cl10 Co4 N4 O12 -","- C31 H34 Cl10 Co4 N4 O12 -","- C124 H136 Cl40 Co16 N16 O48 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0518","0.0399","","","0.0922","0.1009","","","","","","1.035","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545704","13.7564","0.0019","18.978","0.003","19.902","0.003","90","","94.209","0.007","90","","5181.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ain825","","","- C44 H64 Co4 N12 O12 -","- C44 H64 Co4 N12 O12 -","- C176 H256 Co16 N48 O48 -","4","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0737","0.064","","","0.1607","0.1655","","","","","","1.189","","","","has coordinates","195271","2020-10-21","18:00:00",""
"1545705","6.7368","0.0014","8.2186","0.0016","11.478","0.002","109.16","0.03","92.23","0.03","106.25","0.03","570.3","0.3","298","","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H8 B F3 N2 O Te -","- C9 H8 B F3 N2 O Te -","- C18 H16 B2 F6 N4 O2 Te2 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0277","0.0243","","","0.0555","0.0567","","","","","","1.054","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545706","10.117","0.0007","13.3307","0.0009","20.4052","0.0014","90","","99.848","0.002","90","","2711.4","0.3","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 B F3 N O P Te -","- C25 H20 B F3 N O P Te -","- C100 H80 B4 F12 N4 O4 P4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0501","0.0339","","","0.0796","0.0838","","","","","","0.964","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545707","24.5091","0.0015","6.9948","0.0004","21.1123","0.0013","90","","119.654","0.002","90","","3145.4","0.3","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 B F3 N2 O Te -","- C15 H13 B F3 N2 O Te -","- C120 H104 B8 F24 N16 O8 Te8 -","8","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0266","0.0205","","","0.0511","0.0523","","","","","","1.07","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545708","8.027","0.0019","7.1053","0.0017","19.994","0.005","90","","95.552","0.004","90","","1135","0.5","99","2","99.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 B F3 N O Te -","- C10 H9 B F3 N O Te -","- C40 H36 B4 F12 N4 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0633","0.038","","","0.0841","0.0908","","","","","","1.036","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545709","10.7711","0.0015","16.584","0.002","19.77","0.003","90","","102.005","0.003","90","","3454.2","0.8","100","2","99.95","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H41 B F3 N3 O Te -","- C34 H41 B F3 N3 O Te -","- C136 H164 B4 F12 N12 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.1176","0.1063","","","0.2678","0.2753","","","","","","1.116","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545710","10.109","0.002","9.698","0.002","23.678","0.005","90","","101.817","0.004","90","","2272.1","0.8","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B N O Te -","- C28 H24 B N O Te -","- C112 H96 B4 N4 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0435","0.0299","","","0.0609","0.0655","","","","","","1.035","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545711","12.2007","0.0006","20.9116","0.001","17.3413","0.0008","90","","107.773","0.001","90","","4213.2","0.3","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C88 H108 B2 F6 N6 O3 Te2 -","- C88 H108 B2 F6 N6 O3 Te2 -","- C176 H216 B4 F12 N12 O6 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0317","0.0283","","","0.0652","0.067","","","","","","1.016","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545712","10.2886","0.0002","15.0565","0.0003","14.7817","0.0003","90","","91.156","0.001","90","","2289.37","0.08","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H20 B Cl3 F3 N3 O Te -","- C18 H20 B Cl3 F3 N3 O Te -","- C72 H80 B4 Cl12 F12 N12 O4 Te4 -","4","2","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0258","0.0245","","","0.0597","0.0605","","","","","","1.028","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545713","7.2898","0.0008","13.3035","0.0013","11.561","0.0012","90","","104.61","0.002","90","","1084.9","0.2","296","2","296.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H18 B F3 N2 O2 Te2 -","- C20 H18 B F3 N2 O2 Te2 -","- C40 H36 B2 F6 N4 O4 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0439","0.0335","","","0.0561","0.0583","","","","","","0.967","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545714","5.2322","0.0003","10.0668","0.0005","10.7671","0.0005","90","","102.13","0.001","90","","554.46","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C24 H24 N4 O2 S2 -","2","1","","Tan, Wei; Wei, Jianpeng; Jiang, Xuefeng","Thiocarbonyl Surrogate via Combination of Sulfur and Chloroform for Thiocarbamide and Oxazolidinethione Construction.","Organic letters","2017","19","8","2166","2169","10.1021/acs.orglett.7b00819","","","0.71073","MoKα","","0.0233","0.023","","","0.0611","0.0615","","","","","","1.052","","","","has coordinates","196173","2020-10-21","18:00:00",""
"1545715","12.90227","0.00009","12.90227","0.00009","12.90227","0.00009","90","","90","","90","","2147.82","0.03","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Sn1.5Ta0.5O12","","","- La3 Li6.5 O12 Sn1.5 Ta0.5 -","- La3 Li6.48 O12 Sn1.5 Ta0.5 -","- La24 Li51.84 O96 Sn12 Ta4 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Akimoto, J.","Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides","Journal of the Ceramic Society of Japan","2017","125","","272","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","195301","2020-10-21","18:00:00",""
"1545716","12.93341","0.00009","12.93341","0.00009","12.93341","0.00009","90","","90","","90","","2163.41","0.03","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Hf1.5Ta0.5O12","","","- Hf1.5 La3 Li6.5 O12 Ta0.5 -","- Hf1.5 La3 Li6.45 O12 Ta0.5 -","- Hf12 La24 Li51.6 O96 Ta4 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Akimoto, J.","Li-ion conductivity and crystal structure of garnet-type Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides","Journal of the Ceramic Society of Japan","2017","125","","272","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","195302","2020-10-21","18:00:00",""
"1545717","6.2323","0.0002","9.6926","0.0003","29.7861","0.0008","90","","90","","90","","1799.29","0.09","296","1","296","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl F3 N O2 S -","- C17 H15 Cl F3 N O2 S -","- C68 H60 Cl4 F12 N4 O8 S4 -","4","1","","Han, Hong Sik; Lee, Young Jin; Jung, Young-Sik; Han, Soo Bong","Stereoselective Photoredox-Catalyzed Chlorotrifluoromethylation of Alkynes: Synthesis of Tetrasubstituted Alkenes.","Organic letters","2017","19","8","1962","1965","10.1021/acs.orglett.7b00470","","","0.71073","MoKα","","0.0614","0.0533","","","0.1339","0.1404","","","","","","1.077","","","","has coordinates","196171","2020-10-21","18:00:00",""
"1545718","12.199","0.0011","16.5906","0.0015","14.486","0.0014","90","","90.586","0.005","90","","2931.6","0.5","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 -","- C14.5 H17 N1.5 O4 -","- C116 H136 N12 O32 -","8","2","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.204","0.136","","","0.3219","0.395","","","","","","1.353","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545719","8.759","0.004","15.074","0.007","21.337","0.01","90","","90","","90","","2817","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.0962","0.0508","","","0.1392","0.1809","","","","","","0.984","","","","has coordinates","197494","2020-10-21","18:00:00",""
"1545720","14.117","0.0009","8.1361","0.0004","22.5808","0.0014","90","","94.591","0.006","90","","2585.2","0.3","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C31 H24 O8 -","- C30 H20 O7 -","- C120 H80 O28 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","0.71073","MoKα","","0.1026","0.0639","","","0.1693","0.1918","","","","","","1.084","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545721","8.3894","0.0004","14.6187","0.0008","10.2645","0.0004","90","","97.613","0.004","90","","1247.76","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H26 O10 -","- C31 H26 O10 -","- C62 H52 O20 -","2","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0442","0.0371","","","0.0917","0.0976","","","","","","1.033","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545722","7.3385","0.0002","11.972","0.0003","13.1171","0.0003","91.166","0.001","101.43","0.001","96.569","0.001","1121.06","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O7 -","- C30 H20 O7 -","- C60 H40 O14 -","2","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54178","CuKα","","0.0584","0.053","","","0.1567","0.1633","","","","","","1.054","","","","has coordinates","196179","2020-10-21","18:00:00",""
"1545723","8.8331","0.0014","8.9989","0.0016","14.46","0.002","90","","95.546","0.005","90","","1144","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S Te -","- C14 H8 S Te -","- C56 H32 S4 Te4 -","4","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0965","0.0852","","","0.1814","0.1864","","","","","","1.303","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545724","9.6238","0.0013","4.2326","0.0006","13.66","0.002","90","","98.795","0.005","90","","549.88","0.13","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 S Te -","- C14 H8 S Te -","- C28 H16 S2 Te2 -","2","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0385","0.0325","","","0.0669","0.0692","","","","","","1.058","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545725","17.6341","0.0018","5.3422","0.0006","21.002","0.002","90","","90.578","0.002","90","","1978.4","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O2 Te -","- C25 H22 O2 Te -","- C100 H88 O8 Te4 -","4","1","","Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko","Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds","Chem. Sci.","2017","","","","","10.1039/C7SC01162H","","","0.71073","MoKα","","0.0795","0.0431","","","0.082","0.0943","","","","","","1.031","","","","has coordinates,has disorder","195323","2020-10-21","18:00:00",""
"1545726","8.9474","0.0003","8.9474","0.0003","41.253","0.004","90","","90","","90","","3302.5","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H58 Fe2 N2 -","- C34 H58 Fe2 N2 -","- C136 H232 Fe8 N8 -","4","0.5","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0399","0.0328","","","0.0616","0.0636","","","","","","1.062","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545727","10.0731","0.0003","12.2254","0.0003","16.563","0.0005","80.822","0.003","77.884","0.003","66.822","0.003","1826.58","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Fe2 S4 -","- C34 H58 Fe2 S4 -","- C68 H116 Fe4 S8 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0497","0.0373","","","0.0862","0.0925","","","","","","1.042","","","","has coordinates,has disorder","195335","2020-10-21","18:00:00",""
"1545728","11.8548","0.0002","10.3648","0.0002","28.0527","0.0004","90","","91.796","0.002","90","","3445.22","0.1","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Fe2 S2 -","- C34 H58 Fe2 S2 -","- C136 H232 Fe8 S8 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0427","0.0407","","","0.0977","0.099","","","","","","1.114","","","","has coordinates,has disorder","195335","2020-10-21","18:00:00",""
"1545729","13.0954","0.0004","18.8412","0.0006","15.8088","0.0006","90","","107.643","0.004","90","","3717.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Fe2 Se4 -","- C34 H58 Fe2 Se4 -","- C136 H232 Fe8 Se16 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0547","0.0356","","","0.0683","0.0742","","","","","","1.038","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545730","10.3424","0.0004","9.2633","0.0002","18.3885","0.0006","90","","91.346","0.002","90","","1761.22","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Fe2 N2 O2 -","- C36 H58 Fe2 N2 O2 -","- C72 H116 Fe4 N4 O4 -","2","0.5","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0302","0.0269","","","0.0692","0.0702","","","","","","1.078","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545731","11.35137","0.0001","23.7261","0.0002","13.9429","0.0002","90","","93.494","0.002","90","","3748.17","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0327","0.031","","","0.0749","0.0759","","","","","","1.027","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545732","9.8125","0.0008","11.9887","0.001","14.0481","0.0012","95.729","0.004","90.97","0.004","97.25","0.003","1630.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Fe I O P -","- C35 H44 Fe I O P -","- C70 H88 Fe2 I2 O2 P2 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54178","CuKα","","0.0255","0.0246","","","0.0593","0.0598","","","","","","1.085","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545733","15.0303","0.0003","10.4122","0.0002","12.7073","0.0003","90","","90","","90","","1988.67","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 Fe N O3 -","- C20 H29 Fe N O3 -","- C80 H116 Fe4 N4 O12 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0376","0.0343","","","0.0806","0.0825","","","","","","1.034","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545734","10.7445","0.0008","11.3344","0.0008","15.2795","0.0009","109.628","0.006","90.508","0.006","109.886","0.007","1632.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Fe N O2 P -","- C36 H44 Fe N O2 P -","- C72 H88 Fe2 N2 O4 P2 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0453","0.042","","","0.0995","0.1013","","","","","","1.067","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545735","11.0245","0.0007","12.0149","0.0007","14.7311","0.0008","93.174","0.005","91.734","0.005","113.619","0.006","1782.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H58 Fe2 O4 -","- C38 H58 Fe2 O4 -","- C76 H116 Fe4 O8 -","2","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0353","0.0329","","","0.0856","0.0873","","","","","","1.054","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545736","12.5204","0.0006","13.0808","0.0007","16.5376","0.0008","77.1659","0.0011","87.1605","0.001","84.1531","0.0011","2626.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H76 Fe3 N6 O2 -","- C59 H75.96 Fe3 N6 O2.04 -","- C118 H151.92 Fe6 N12 O4.08 -","2","1","","Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis","Chem. Sci.","2017","","","","","10.1039/C6SC05583D","","","0.71073","MoKα","","0.0404","0.0304","","","0.082","0.0882","","","","","","1.085","","","","has coordinates,has disorder","195336","2020-10-21","18:00:00",""
"1545737","20.7273","0.0014","11.4948","0.0008","21.957","0.002","90","","112.429","0.003","90","","4835.7","0.7","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H63 F3 Fe3 N6 -","- C45 H63 F3 Fe3 N6 -","- C180 H252 F12 Fe12 N24 -","4","1","","Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis","Chem. Sci.","2017","","","","","10.1039/C6SC05583D","","x-ray","0.71073","MoKα","","0.0421","0.0356","","","0.0899","0.0932","","","","","","1.012","","","","has coordinates","195336","2020-10-21","18:00:00",""
"1545738","9.68785","0.00012","6.62844","0.00009","15.2024","0.0002","90","","103.889","0.0013","90","","947.69","0.02","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0705","0.0715","","","","","","1.062","","","","has coordinates","197452","2020-10-21","18:00:00",""
"1545739","6.8548","0.0005","7.4136","0.0009","30.569","0.003","90","","90","","90","","1553.5","0.3","289.63","0.1","289.63","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.7107","MoKα","","0.0784","0.0542","","","0.1062","0.1231","","","","","","1.097","","","","has coordinates","196172","2020-10-21","18:00:00",""
"1545740","10.406","0.002","7.8092","0.0014","26.717","0.005","90","","92.9","0.02","90","","2168.3","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H43 F8 I3 N8 -","- C40 H43 F8 I3 N8 -","- C80 H86 F16 I6 N16 -","2","1","","Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo","FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters","Faraday Discuss.","2017","","","","","10.1039/C7FD00120G","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0449","","","","","","1.017","","","","has coordinates","195409","2020-10-21","18:00:00",""
"1545741","14.9747","0.0015","18.898","0.002","25.034","0.003","87.618","0.012","76.317","0.01","76.576","0.01","6694.6","1.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H89 F8 I3 N6 O2 -","- C64 H89 F8 I3 N6 O2 -","- C256 H356 F32 I12 N24 O8 -","4","2","","Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo","FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters","Faraday Discuss.","2017","","","","","10.1039/C7FD00120G","","","0.71073","MoKα","","0.0836","0.0374","","","0.0729","0.0903","","","","","","1.017","","","","has coordinates","195409","2020-10-21","18:00:00",""
"1545742","42.8927","0.0012","42.8927","0.0012","56.6605","0.0017","90","","90","","120","","90277","4","100","2","100.02","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C96 H172 Cl K4 O86 -","- C96 H172 Cl K4 O86 -","- C1728 H3096 Cl18 K72 O1548 -","18","1","","Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies.","Molecular pharmaceutics","2017","14","5","1831","1839","10.1021/acs.molpharmaceut.7b00168","","","1.54178","CuKα","","0.1","0.0928","","","0.2544","0.271","","","","","","1.223","","","","has coordinates,has disorder","204139","2020-10-21","18:00:00",""
"1545743","9.4624","0.0007","9.9524","0.0007","16.0483","0.0011","90","","102.418","0.007","90","","1475.97","0.19","173.6","0.3","173.6","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","1","","Kuai, Changsheng; Wang, Lianhui; Li, Bobin; Yang, Zhenhui; Cui, Xiuling","Cobalt-Catalyzed Selective Synthesis of Isoquinolines Using Picolinamide as a Traceless Directing Group.","Organic letters","2017","19","8","2102","2105","10.1021/acs.orglett.7b00702","","","0.71073","MoKα","","0.0642","0.0479","","","0.108","0.1202","","","","","","1.03","","","","has coordinates","196170","2020-10-21","18:00:00",""
"1545744","16.2146","0.001","22.561","0.0014","9.2044","0.0006","90","","90","","90","","3367.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H26 Cl5 D N3 O3 -","- C33 H26 Cl5 N3 O3 -","- C132 H104 Cl20 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1666","0.0981","","","0.2699","0.3119","","","","","","1.043","","","","has coordinates,has disorder","196175","2020-10-21","18:00:00",""
"1545745","15.6695","0.0007","5.5971","0.0003","39.2584","0.0019","90","","90","","90","","3443.1","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","2","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.1255","0.068","","","0.1815","0.2245","","","","","","1.002","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545746","10.752","0.002","12.403","0.002","14.821","0.002","103.152","0.009","108.554","0.009","99.041","0.009","1767.3","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Br N2 O5 S -","- C19 H13 Br N2 O5 S -","- C76 H52 Br4 N8 O20 S4 -","4","2","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.0882","0.048","","","0.102","0.1236","","","","","","1.049","","","","has coordinates","196178","2020-10-21","18:00:00",""
"1545747","3.927","0.0001","16.2999","0.0006","19.0048","0.0006","90","","90","","90","","1216.49","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.0403","0.0289","","","0.0629","0.0822","","","","","","1.065","","","","has coordinates","196178","2020-10-21","18:00:00",""
"1545748","15.2965","0.0008","29.0416","0.0011","42.143","0.004","90","","94.486","0.007","90","","18664","2","95","2","95","2","","","","","","","","2","I 1 2 1","I 2y","5","","","","- C220 H150 -","- C220 H150 -","- C880 H600 -","4","1","","Ikemoto, Koki; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Entropy-Driven Ball-in-Bowl Assembly of Fullerene and Geodesic Phenylene Bowl","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00899","","","0.9","synchrotron","","0.1422","0.0889","","","0.2313","0.2666","","","","","","1.225","","","","has coordinates,has disorder","195457","2020-10-21","18:00:00",""
"1545749","11.732","0.004","15.204","0.005","15.864","0.005","90","","90","","90","","2829.7","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O9 -","- C29 H39 N O9 -","- C116 H156 N4 O36 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0932","0.0832","","","0.1737","0.1787","","","","","","1.213","","","","has coordinates","197487","2020-10-21","18:00:00",""
"1545750","14.9225","0.0002","13.0558","0.0002","30.1455","0.0005","90","","97.7219","0.0016","90","","5819.84","0.15","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Phosphazene","","- C48 H54 N3 O24 P3 S6 -","- C48 H54 N3 O24 P3 S6 -","- C192 H216 N12 O96 P12 S24 -","4","1","","Celebi, Elif Busra; Hacıvelioğlu, Ferda","Preparation of Sulfonic Acid Functional Proton Conducting Phosphazenes by Covalent Protection","Polym. Chem.","2017","","","","","10.1039/C7PY00189D","","x-ray","0.71075","MoKα","","0.0654","0.0563","","","0.1467","0.1541","","","","","","1.009","","","","has coordinates,has disorder","195483","2020-10-21","18:00:00",""
"1545751","25.3293","0.0007","20.1695","0.0005","23.6895","0.0006","90","","90","","90","","12102.5","0.5","150","2","150","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C67 H80 N2 O10 -","- C67 H80 N2 O10 -","- C536 H640 N16 O80 -","8","2","","li, zhengtao; Xing, Hao; Shi, Bingbing","Two novel supramolecular metallogels constructed by platinum(II) coordination and pillar[5]arene-based host‒guest interactions","Polym. Chem.","2017","","","","","10.1039/C7PY00280G","","","0.71073","MoKα","","0.1727","0.0889","","","0.2365","0.3001","","","","","","1.015","","","","has coordinates","195484","2020-10-21","18:00:00",""
"1545754","8.6396","0.0003","16.1754","0.0006","10.6697","0.0004","90","","107.772","0.0013","90","","1419.92","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O8 -","- C30 H42 O8 -","- C60 H84 O16 -","2","1","","Zhao, Shou; Abu-Omar, Mahdi M.","Renewable Thermoplastics Based on Lignin-Derived Polyphenols","Macromolecules","2017","","","","","10.1021/acs.macromol.7b00064","","","0.71073","MoKα","","0.0451","0.0391","","","0.0796","0.082","","","","","","1.142","","","","has coordinates","195520","2020-10-21","18:00:00",""
"1545755","23.507","0.003","6.5815","0.0006","25.139","0.003","90","","104.31","0.004","90","","3768.6","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C176 H128 N32 O24 -","8","2","","Laugeois, Maxime; Ling, Johanne; Férard, Charlène; Michelet, Véronique; Ratovelomanana-Vidal, Virginie; Vitale, Maxime R.","Palladium(0)-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with Vinylcyclopropanes: An Entry to Stereodefined 2,3-Fused Cyclopentannulated Indoline Derivatives","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00784","","","1.54178","CuKα","","0.0762","0.0522","","","0.1227","0.1356","","","","","","1.041","","","","has coordinates","195524","2020-10-21","18:00:00",""
"1545756","15.561","0.004","5.9415","0.0016","12.471","0.003","90","","92.799","0.003","90","","1151.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","SU4145","Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong","2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","IUCrData","2017","2","4","x170532","","10.1107/S2414314617005326","","","0.71073","MoKα","","0.0331","0.0267","","","0.0694","0.0726","","","","","","1.049","","","","has coordinates","195540","2020-10-21","18:00:00",""
"1545757","17.7623","0.0008","7.2919","0.0004","23.6434","0.0011","90","","102.092","0.0014","90","","2994.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","12-(dibromomethylene)pleiaden-7-one","","- C19 H10 Br2 O -","- C19 H10 Br2 O -","- C152 H80 Br16 O8 -","8","1","","Gu, Xiao; Li, Huiyan; Shan, Bowen; Liu, Zhifeng; Miao, Qian","Synthesis, Structure, and Properties of Tetrabenzo[7]circulene.","Organic letters","2017","19","9","2246","2249","10.1021/acs.orglett.7b00714","","","0.71073","MoKα","","0.0289","0.0258","","","0.0639","0.0652","","","","","","1.071","","","","has coordinates","197491","2020-10-21","18:00:00",""
"1545758","13.7789","0.0019","14.858","0.002","22.728","0.003","90","","98.14","0.002","90","","4606.2","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20.5 Cl2.5 N O2 -","- C25 H20.5 Cl2.5 N O2 -","- C200 H164 Cl20 N8 O16 -","8","2","","Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.","Organic letters","2017","19","9","2262","2265","10.1021/acs.orglett.7b00769","","","0.71073","MoKα","","0.0938","0.0679","","","0.1974","0.2268","","","","","","0.981","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545759","8.078","0.014","8.37","0.015","12.38","0.019","100.58","0.05","101.15","0.05","94.63","0.05","801","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.","Organic letters","2017","19","9","2262","2265","10.1021/acs.orglett.7b00769","","","0.71073","MoKα","","0.1101","0.0592","","","0.1497","0.1945","","","","","","0.826","","","","has coordinates","197496","2020-10-21","18:00:00",""
"1545760","7.65703","0.00012","9.51508","0.00016","26.1253","0.0004","90","","90","","90","","1903.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0298","0.0286","","","0.0703","0.071","","","","","","1.09","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545761","8.52078","0.0001","15.6118","0.0002","17.52","0.0002","90","","90","","90","","2330.59","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 B N O4 -","- C27 H30 B N O4 -","- C108 H120 B4 N4 O16 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0795","0.0802","","","","","","1.062","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545762","11.0936","0.0003","14.6662","0.0002","14.75","0.0002","90","","90","","90","","2399.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O6 -","- C25 H32 B N O6 -","- C100 H128 B4 N4 O24 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0394","0.0353","","","0.0832","0.0858","","","","","","1.061","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545763","25.8262","0.0016","25.8262","0.0016","6.8315","0.0004","90","","90","","120","","3946.1","0.4","90","2","90","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)0.58","","","- C8.58 H2 Co2 O6.58 -","- C8.58 H2 Co2 O6.58 -","- C77.22 H18 Co18 O59.22 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0317","0.0274","","","0.0696","0.0718","","","","","","1.07","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545764","25.81","0.008","25.81","0.008","6.901","0.002","90","","90","","120","","3981","2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(N2)3.78","","","- C8 H2 Co2 N7.55 O6 -","- C8 H2 Co2 N7.56 O6 -","- C72 H18 Co18 N68.04 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6199","synchrotron","","0.0805","0.0632","","","0.1233","0.1328","","","","","","1.19","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545765","25.892","0.004","25.892","0.004","6.8482","0.0009","90","","90","","120","","3975.9","1","296.15","","296.15","","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)","","","- C8 H2 Co2 O6 -","- C8 H2 Co2 O6 -","- C72 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0564","0.0485","","","0.137","0.1453","","","","","","1.116","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545766","25.7348","0.0008","25.7348","0.0008","6.8385","0.0002","90","","90","","120","","3922.2","0.2","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)(P4)1.32","","","- C8 H2 Co2 O6 P5.28 -","- C8 H2 Co2 O6 P5.288 -","- C72 H18 Co18 O54 P47.592 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0902","0.0822","","","0.2465","0.253","","","","","","1.198","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545767","25.86","0.004","25.86","0.004","6.8678","0.001","90","","90","","120","","3977.5","1","90","2","90","2","","","","","","","","5","R -3","-R 3","148","Co2(dobdc)Ar2","","","- C8 H2 Ar2 Co2 O6 -","- C8 H2 Ar1.998 Co2 O6 -","- C72 H18 Ar17.982 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.6525","synchrotron","","0.0637","0.0513","","","0.1272","0.1358","","","","","","1.072","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545768","25.7599","0.0009","25.7599","0.0009","6.8766","0.0003","90","","90","","120","","3951.8","0.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(O2)5.94","","","- C8 H2 Co2 O17.92 -","- C8 H2 Co2 O17.88 -","- C72 H18 Co18 O160.92 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.086","0.0481","","","0.1045","0.1203","","","","","","1.015","","","","has coordinates,has disorder","195605","2020-10-21","18:00:00",""
"1545769","25.866","0.005","25.866","0.005","6.8457","0.0012","90","","90","","120","","3966.5","1.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CH4)2","","","- C10 H10 Co2 O6 -","- C10 H2 Co2 O6 -","- C90 H18 Co18 O54 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0558","0.0477","","","0.1205","0.1271","","","","","","1.064","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545770","25.853","0.003","25.853","0.003","6.8494","0.0007","90","","90","","120","","3964.7","0.8","100","2","100","2","","","","","","","","4","R -3","-R 3","148","Co2(dobdc)(CO)1.19","","","- C9.19 H2 Co2 O7.19 -","- C9.18 H2 Co2 O7.18 -","- C82.62 H18 Co18 O64.62 -","9","","","Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.","Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction","Chem. Sci.","2017","","","","","10.1039/C7SC00449D","","","0.7749","synchrotron","","0.0491","0.0389","","","0.0978","0.1032","","","","","","1.051","","","","has coordinates","195605","2020-10-21","18:00:00",""
"1545771","13.7722","0.0006","39.9563","0.0016","17.7098","0.0007","90","","97.536","0.003","90","","9661.3","0.7","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H83 Cl0 F0 N6 O0 P Pt2 S -","- C72 H83 N6 P Pt2 S -","- C288 H332 N24 P4 Pt8 S4 -","4","1","","Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah","Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors","Chem. Sci.","2017","","","","","10.1039/C7SC00041C","","","0.71073","MoKα","","0.1478","0.078","","","0.2031","0.2237","","","","","","0.893","","","","has coordinates","195606","2020-10-21","18:00:00",""
"1545772","21.3916","0.0007","9.4099","0.0003","16.1292","0.0005","90","","90","","90","","3246.69","0.18","100","","100.04","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H38 Fe2 N6 O19 P2 -","- C19 H38 Fe2 N6 O19 P2 -","- C76 H152 Fe8 N24 O76 P8 -","4","1","","Du, Kang; Waters, Emily Alex; Harris, David David","Ratiometric Quantitation of Redox Status with a Molecular Fe2 Magnetic Resonance Probe","Chem. Sci.","2017","","","","","10.1039/C7SC00562H","","","0.71073","MoKα","","0.0508","0.0497","","","0.1165","0.117","","","","","","1.237","","","","has coordinates,has disorder","195607","2020-10-21","18:00:00",""
"1545773","8.7678","0.0002","10.7305","0.0002","10.8657","0.0002","67.757","0.001","88.911","0.001","87.411","0.001","945.24","0.03","130","","130","","","","","","","","","4","P 1","P 1","1","","","","- C22 H19 F3 O3 -","- C22 H19 F3 O3 -","- C44 H38 F6 O6 -","2","2","","Zhang, Junliang; Zhou, Wei; Wang, Hua-Min; Tao, Mengna; Zhu, Chao-Ze; Lin, Tao-Yan","Phosphine-catalyzed Enantioselective [3+2] Cycloadditions of -Substituted Allenoates with β-Perfluoroalkyl Enones","Chem. Sci.","2017","","","","","10.1039/C7SC01432E","","","1.54178","CuKα","","0.0391","0.0383","","","0.1088","0.1102","","","","","","0.898","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545774","12.9887","0.0007","15.9169","0.0009","15.3964","0.0007","90","","106.699","0.0018","90","","3048.8","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au F6 O P Sb -","- C30 H37 Au F6 O P Sb -","- C120 H148 Au4 F24 O4 P4 Sb4 -","4","1","","Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds","Chem. Sci.","2017","","","","","10.1039/C7SC00145B","","","0.71073","MoKα","","0.022","0.0191","","","0.045","0.0463","","","","","","1.026","","","","has coordinates,has disorder","195609","2020-10-21","18:00:00",""
"1545775","8.429","0.0003","10.7662","0.0003","11.6292","0.0003","90","","94.266","0.002","90","","1052.41","0.05","193","2","193","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Au I P -","- C22 H25 Au I P -","- C44 H50 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds","Chem. Sci.","2017","","","","","10.1039/C7SC00145B","","x-ray","1.54178","CuKα","","0.0451","0.0406","","","0.1109","0.1155","","","","","","0.934","","","","has coordinates","195609","2020-10-21","18:00:00",""
"1545776","16.3409","0.0006","9.0662","0.0003","35.1804","0.0013","90","","101.985","0.004","90","","5098.4","0.3","99.9","0.2","99.9","0.2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C64 H82 -","- C64 H82 -","- C256 H328 -","4","0.5","","Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra","Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires","The Journal of Physical Chemistry C","2017","121","17","9202","","10.1021/acs.jpcc.7b02264","","x-ray","1.54184","CuKα","","0.0832","0.0542","","","0.153","0.1822","","","","","","1.023","","","","has coordinates","196159","2020-10-21","18:00:00",""
"1545778","7.4743","0.0006","17.3909","0.0014","10.0665","0.0006","90","","107.933","0.003","90","","1244.92","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","1","","Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones.","Organic letters","2017","19","9","2430","2433","10.1021/acs.orglett.7b00996","","","0.71073","MoKα","","0.0608","0.0339","","","0.0798","0.0891","","","","","","1.101","","","","has coordinates","197488","2020-10-21","18:00:00",""
"1545779","10.126","0.0003","12.9083","0.0003","13.2893","0.0004","77.953","0.001","80.076","0.001","82.458","0.001","1665.16","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 O2 Se2 -","- C19 H14 O2 Se2 -","- C76 H56 O8 Se8 -","4","2","","Mandal, Anup; Dana, Suman; Sahoo, Harekrishna; Grandhi, Gowri Sankar; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed ortho-C-H Chalcogenation of Benzoic Acids via Weak O-Coordination: Synthesis of Chalcogenoxanthones.","Organic letters","2017","19","9","2430","2433","10.1021/acs.orglett.7b00996","","","0.71073","MoKα","","0.0425","0.027","","","0.055","0.0592","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545780","8.729","0.004","9.996","0.004","25.71","0.011","90","","98.72","0.007","90","","2217.4","1.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Br N2 O3 S -","- C25 H21 Br N2 O3 S -","- C100 H84 Br4 N8 O12 S4 -","4","1","","Yi, Liang; Zhang, Yuyang; Zhang, Zhao-Fei; Sun, Dequn; Ye, Song","Synthesis of Dihydropyridinone-Fused Indoles and α-Carbolines via N-Heterocyclic Carbene-Catalyzed [3 + 3] Annulation of Indolin-2-imines and Bromoenals.","Organic letters","2017","19","9","2286","2289","10.1021/acs.orglett.7b00820","","","0.71073","MoKα","","0.1414","0.128","","","0.192","0.1975","","","","","","1.327","","","","has coordinates,has disorder","197490","2020-10-21","18:00:00",""
"1545781","14.811","0.006","5.342","0.002","19.823","0.007","90","","99.03","0.02","90","","1549","1","123","","123","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro","Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.","Organic letters","2017","19","9","2394","2397","10.1021/acs.orglett.7b00920","","","0.71075","MoKα","","0.1313","0.0866","","","0.2023","0.2479","","","","","","1.021","","","","has coordinates","197492","2020-10-21","18:00:00",""
"1545782","10.006","0.001","6.2513","0.0006","10.8417","0.0012","90","","93.336","0.003","90","","677","0.12","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O3 -","- C12 H18 Br N O3 -","- C24 H36 Br2 N2 O6 -","2","1","","Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro","Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A.","Organic letters","2017","19","9","2394","2397","10.1021/acs.orglett.7b00920","","","0.71075","MoKα","","0.0977","0.056","","","0.1375","0.1814","","","","","","1.07","","","","has coordinates","197492","2020-10-21","18:00:00",""
"1545783","7.2271","0.0007","8.948","0.0007","12.1887","0.0011","90","","105.819","0.009","90","","758.37","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0618","0.0458","","","0.0865","0.0947","","","","","","1.1","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545784","7.2738","0.0003","9.0627","0.0003","11.7233","0.0005","90","","102.916","0.004","90","","753.25","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-bromo-2-chlorobenzoic acid","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0346","0.0276","","","0.0586","0.0621","","","","","","1.058","","","","has coordinates","195684","2020-10-21","18:00:00",""
"1545785","7.2577","0.0003","9.0397","0.0003","11.8561","0.0004","90","","103.904","0.004","90","","755.06","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0271","0.0243","","","0.059","0.0601","","","","","","1.095","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545786","7.256","0.0002","9.0227","0.0002","11.9855","0.0003","90","","104.676","0.003","90","","759.07","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-bromo-2chlorobenzoic acid","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0214","0.0198","","","0.0508","0.0516","","","","","","1.12","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545787","3.8949","0.0003","8.2939","0.0003","11.8408","0.0005","89.014","0.003","89.991","0.005","78.651","0.005","374.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-Bromo-4chlorobenzoic acid","2-Bromo-4chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C14 H8 Br2 Cl2 O4 -","2","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0394","0.034","","","0.0757","0.0804","","","","","","1.121","","","","has coordinates","195684","2020-10-21","18:00:00",""
"1545788","7.2385","0.0004","8.9976","0.0005","12.1313","0.0006","90","","105.406","0.005","90","","761.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0411","0.033","","","0.0648","0.0682","","","","","","1.063","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545789","3.9007","0.0004","8.307","0.0004","11.9258","0.0012","88.909","0.006","89.987","0.008","78.731","0.006","378.91","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-4-chlorobenzoic acid/4-bromo-2-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C14 H8 Br2 Cl2 O4 -","2","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0734","0.0601","","","0.134","0.1481","","","","","","1.075","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545790","7.2399","0.0003","9.0087","0.0002","12.0539","0.0004","90","","105.036","0.004","90","","759.26","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlobenzoic acid/ 2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.033","0.0277","","","0.0641","0.0667","","","","","","1.067","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545791","19.948","0.003","28.361","0.005","9.3012","0.0016","90","","96.59","0.004","90","","5227.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cl0.07 I4.93 N -","- C16 H36 Cl0.0738 I4.9262 N -","- C128 H288 Cl0.5904 I39.4096 N8 -","8","2","","Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre","FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00076F","","x-ray","0.71073","MoKα","","0.0397","0.0307","","","0.0532","0.0555","","","","","","1.104","","","","has coordinates,has disorder","195685","2020-10-21","18:00:00",""
"1545792","9.463","0.003","15.553","0.005","15.805","0.005","83.658","0.007","74.285","0.006","78.5","0.006","2190.3","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 I3 N -","- C16 H36 I3 N -","- C64 H144 I12 N4 -","4","2","","Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre","FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00076F","","x-ray","0.71073","MoKα","","0.0413","0.0301","","","0.0602","0.0642","","","","","","1.086","","","","has coordinates","195685","2020-10-21","18:00:00",""
"1545793","13.52363","0.00038","13.52363","0.00038","31.1617","0.001","90","","90","","120","","4935.6","0.3","300","","300","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B30 Nd5 O60 Rb15 -","- B30 Nd5 O60 Rb15 -","- B90 Nd15 O180 Rb45 -","3","0.166667","","V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev","Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12","Advanced Powder Technology","2017","28","5","1309","1315","10.1016/j.apt.2017.02.019","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.75","4.75","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545794","6.024","0.0002","12.4238","0.0004","20.231","0.0006","78.658","0.002","86.669","0.002","78.084","0.002","1452.31","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N2 O2 S4 -","- C68 H78 N2 O2 S4 -","- C68 H78 N2 O2 S4 -","1","0.5","","Ganguly, Anindya; Zhu, Jianfeng; Kelly, Timothy L.","Effect of Cross-Conjugation on Derivatives of Benzoisoindigo, an Isoindigo Analogue with an Extended π-System","The Journal of Physical Chemistry C","2017","121","17","9110","","10.1021/acs.jpcc.7b00742","","","0.71073","MoKα","","0.118","0.0956","","","0.2719","0.2978","","","","","","1.039","","","","has coordinates,has disorder","196161","2020-10-21","18:00:00",""
"1545795","5.36033","0.0001","5.36033","0.0001","11.82739","0.00026","90","","90","","90","","339.838","0.012","300","","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- La1.33 Mo4 Na1.33 O16 Sr1.33 -","- La1.33333 Mo4 Na1.33333 O16 Sr1.33333 -","- La1.33333 Mo4 Na1.33333 O16 Sr1.33333 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","6.6","1.245","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545796","5.34061","0.00011","5.34061","0.00011","11.77693","0.00024","90","","90","","90","","335.903","0.012","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Er0.27 La1.07 Mo4 Na1.33 O16 Sr1.33 -","- Er0.266667 La1.06667 Mo4 Na1.33333 O16 Sr1.33333 -","- Er0.266667 La1.06667 Mo4 Na1.33333 O16 Sr1.33333 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.11","1.157","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545797","5.32926","0.00014","5.32926","0.00014","11.74788","0.0003","90","","90","","90","","333.652","0.015","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Er0.13 La0.93 Mo4 Na1.33 O16 Sr1.33 Yb0.27 -","- Er0.133333 La0.933333 Mo4 Na1.33333 O16 Sr1.33333 Yb0.266667 -","- Er0.133333 La0.933333 Mo4 Na1.33333 O16 Sr1.33333 Yb0.266667 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.34","1.139","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545798","5.30628","0.0001","5.30628","0.0001","11.68195","0.00025","90","","90","","90","","328.924","0.011","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Er0.07 La0.67 Mo4 Na1.33 O16 Sr1.33 Yb0.6 -","- Er0.0666667 La0.666667 Mo4 Na1.33333 O16 Sr1.33333 Yb0.6 -","- Er0.0666667 La0.666667 Mo4 Na1.33333 O16 Sr1.33333 Yb0.6 -","1","0.0625","","Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin","Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+","Journal of Alloys and Compounds","2017","713","0","156","163","10.1016/j.jallcom.2017.04.060","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.62","1.113","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1545799","11.2899","0.0006","10.188","0.0005","8.5203","0.0005","90","","93.637","0.003","90","","978.04","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Hu, Feng; Nareddy, Pradeep; Lalancette, Roger; Jordan, Frank; Szostak, Michal","σ N-C Bond Difunctionalization in Bridged Twisted Amides: Sew-and-Cut Activation Approach to Functionalized Isoquinolines.","Organic letters","2017","19","9","2386","2389","10.1021/acs.orglett.7b00913","","","1.54178","CuKα","","0.0436","0.0366","","","0.0873","0.0908","","","","","","1.082","","","","has coordinates","197495","2020-10-21","18:00:00",""
"1545800","7.8403","0.0002","12.7512","0.0003","10.5247","0.0002","90","","91.486","0.002","90","","1051.83","0.04","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N4 O7 S2 -","- C15 H28 N4 O7 S2 -","- C30 H56 N8 O14 S4 -","2","0.5","","Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang","Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00512A","","","1.54178","CuKα","","0.0397","0.0366","","","0.0785","0.0801","","","","","","1.088","","","","has coordinates","195733","2020-10-21","18:00:00",""
"1545801","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0438","0.0277","","","0.0605","0.066","","","","","","1.137","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545802","8.0135","0.0004","8.427","0.0004","10.7367","0.0005","78.957","0.002","69.565","0.002","89.542","0.001","665.47","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","1,4-butanediammonium tetrabromoplumbate","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C8 H28 Br8 N4 Pb2 -","2","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0638","0.0378","","","0.0712","0.079","","","","","","1.036","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545803","10.6055","0.0013","11.6091","0.0014","11.9312","0.0014","90","","110.061","0.003","90","","1379.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","histammonium tetrabromoplumbate","","- C5 H11 Br4 N3 Pb -","- C5 H11 Br4 N3 Pb -","- C20 H44 Br16 N12 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0292","0.023","","","0.054","0.0562","","","","","","1.065","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545804","24.4632","0.0015","8.0039","0.0004","8.1963","0.0005","90","","99.745","0.002","90","","1581.69","0.16","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-methyl-1,5-pentanediammonium) tetrabromoplumbate","","- C6 H18 Br4 N2 Pb -","- C6 H17 Br4 N2 Pb -","- C24 H68 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0239","0.0199","","","0.043","0.0446","","","","","","1.093","","","","has coordinates,has disorder","195736","2020-10-21","18:00:00",""
"1545805","10.5412","0.0013","11.5023","0.0014","11.925","0.0014","90","","109.996","0.003","90","","1358.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","histammonium tetrabromoplumbate","","- C5 H11 Br4 N3 Pb -","- C5 H11 Br4 N3 Pb -","- C20 H44 Br16 N12 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0222","0.0177","","","0.0394","0.0407","","","","","","1.067","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545806","13.807","0.003","7.9891","0.0014","8.2769","0.0014","90","","104.34","0.006","90","","884.5","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","octanediammonium tetrabromoplumbate","","- C8 H22 Br4 N2 Pb -","- C8 H22 Br4 N2 Pb -","- C16 H44 Br8 N4 Pb2 -","2","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0694","0.0732","","","","","","1.046","","","","has coordinates,has disorder","195736","2020-10-21","18:00:00",""
"1545807","7.7688","0.0003","8.5108","0.0004","24.6314","0.0011","90","","95.197","0.002","90","","1621.9","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-ammonioethyl)-anilinium tetrabromoplumbate","","- C8 H14 Br4 N2 Pb -","- C8 H14 Br4 N2 Pb -","- C32 H56 Br16 N8 Pb4 -","4","1","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.7749","","","0.078","0.071","","","0.2031","0.2092","","","","","","1.122","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545808","24.7721","0.0012","8.0709","0.0004","56.964","0.003","90","","97.137","0.002","90","","11300.7","1","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(4-ammoniobutanoic acid) tetrabromoplumbate","","- C24 H60 Br12 N6 O12 Pb3 -","- C24 H60 Br12 N6 O12 Pb3 -","- C192 H480 Br96 N48 O96 Pb24 -","8","2","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.1251","0.0493","","","0.0757","0.0928","","","","","","1.013","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545873","10.8556","0.0016","8.4638","0.0013","17.443","0.003","90","","96.664","0.004","90","","1591.8","0.4","102","2","102","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N5 O5 S4 -","- C29 H35 N5 O5 S4 -","- C58 H70 N10 O10 S8 -","2","1","","Antczak, Monika I.; Zhang, Yongyou; Wang, Changguang; Doran, Jennifer; Naidoo, Jacinth; Voruganti, Sukesh; Williams, Noelle S.; Markowitz, Sanford D.; Ready, Joseph M.","Inhibitors of 15-Prostaglandin Dehydrogenase to Potentiate Tissue Repair.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00271","","","0.71073","MoKα","","0.0944","0.0683","","","0.173","0.1928","","","","","","1.082","","","","has coordinates,has disorder","195759","2020-10-21","18:00:00",""
"1545874","8.9922","0.0004","9.6614","0.0005","10.2093","0.0005","90","","105.422","0.001","90","","855.02","0.07","113","","113","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Li[C2C1im][N(SO2F)2]2","lithium 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)amide","","- C6 H11 F4 Li N4 O8 S4 -","- C6 H11 F4 Li N4 O8 S4 -","- C12 H22 F8 Li2 N8 O16 S8 -","2","0.5","","Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika","Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures","The Journal of Physical Chemistry C","2017","121","17","9209","","10.1021/acs.jpcc.7b02296","","","0.71073","MoKα","","0.0325","0.0305","","","0.0856","0.0867","","","","","","1.13","","","","has coordinates,has disorder","196160","2020-10-21","18:00:00",""
"1545875","14.0418","0.0004","6.1192","0.0002","17.399","0.0005","90","","101.306","0.002","90","","1465.99","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 S4 -","- C14 H14 S4 -","- C56 H56 S16 -","4","1","","Cerda, Matthew M.; Hammers, Matthew D.; Earp, Mary S.; Zakharov, Lev N.; Pluth, Michael D.","Applications of Synthetic Organic Tetrasulfides as H2S Donors.","Organic letters","2017","19","9","2314","2317","10.1021/acs.orglett.7b00858","","","1.54178","CuKα","","0.0412","0.0356","","","0.0928","0.0969","","","","","","1.036","","","","has coordinates","197493","2020-10-21","18:00:00",""
"1545876","10.02","0.002","11.238","0.003","17.984","0.005","90","","101.851","0.011","90","","1981.9","0.9","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C.","Systematic variation of thiophene substituents in photochromic spiropyrans","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00057J","","","0.71073","MoKα","","0.0726","0.0499","","","0.1155","0.125","","","","","","1.038","","","","has coordinates","195777","2020-10-21","18:00:00",""
"1545877","19.967","0.007","11.759","0.003","8.67","0.002","90","","94.66","0.018","90","","2028.9","1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C92 H76 Br4 N8 O12 S4 -","4","1","","Stefan, Mihaela Corina; Dissanayake, Dushanthi; McCandless, Gregory T.; Biewer, Michael C.","Systematic variation of thiophene substituents in photochromic spiropyrans","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00057J","","","0.71073","MoKα","","0.1058","0.0803","","","0.1859","0.2001","","","","","","1.047","","","","has coordinates,has disorder","195777","2020-10-21","18:00:00",""
"1545879","10.3695","0.001","11.2448","0.0011","19.3109","0.0019","90","","94.823","0.002","90","","2243.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O6 S -","- C24 H23 N O6 S -","- C96 H92 N4 O24 S4 -","4","1","","Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min","PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives.","Organic letters","2017","19","9","2382","2385","10.1021/acs.orglett.7b00910","","","0.71073","MoKα","","0.0853","0.056","","","0.1229","0.1362","","","","","","1.038","","","","has coordinates","197497","2020-10-21","18:00:00",""
"1545880","15.5866","0.0016","9.8958","0.001","14.265","0.0014","90","","98.14","0.002","90","","2178.1","0.4","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C88 H108 N4 O24 S4 -","4","1","","Xing, Jiaojiao; Lei, Yu; Gao, Yu-Ning; Shi, Min","PPh3-Catalyzed [3 + 2] Spiroannulation of 1C,3N-Bisnucleophiles Derived from Secondary β-Ketoamides with δ-Acetoxy Allenoate: A Route to Functionalized Spiro N-Heterocyclic Derivatives.","Organic letters","2017","19","9","2382","2385","10.1021/acs.orglett.7b00910","","","0.71073","MoKα","","0.0754","0.0474","","","0.1317","0.1522","","","","","","0.916","","","","has coordinates","197497","2020-10-21","18:00:00",""
"1545881","8.4376","0.0011","10.1022","0.0012","13.0614","0.0015","98.593","0.004","92.973","0.004","100.142","0.004","1080.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 Co2 O6 -","- C24 H14 Co2 O6 -","- C48 H28 Co4 O12 -","2","1","","Wang, Gongbao; Lindeboom, Erik-Jan; Heerewaarden, Chris van; Minnaard, Adriaan J.","Synthesis of Ene-yne-enes by Nickel-Catalyzed Double SN2’ substitution of 1,6-Dichlorohexa-2,4-diyne","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00429J","","","0.71073","MoKα","","0.019","0.0178","","","0.0469","0.0478","","","","","","1.057","","","","has coordinates","195793","2020-10-21","18:00:00",""
"1545883","10.8783","0.0003","11.8013","0.0003","26.178","0.0008","90","","90","","90","","3360.68","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 O6 -","- C36 H54 O6 -","- C144 H216 O24 -","4","1","","Guo, Yi; Zhang, Na; Chen, Chunmei; Huang, Jinfeng; Li, Xiao-Nian; Liu, Junjun; Zhu, Hucheng; Tong, Qingyi; Zhang, Jinwen; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum.","Journal of natural products","2017","","","","","10.1021/acs.jnatprod.6b01178","","","1.54178","CuKα","","0.0333","0.033","","","0.0875","0.0878","","","","","","1.088","","","","has coordinates","195821","2020-10-21","18:00:00",""
"1545884","12.542","0.004","5.445","0.0017","15.507","0.004","90","","94.578","0.006","90","","1055.6","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0511","0.0442","","","0.1088","0.1131","","","","","","1.034","","","","has coordinates","197489","2020-10-21","18:00:00",""
"1545885","8.0035","0.0007","9.1507","0.0008","9.4828","0.0008","90","","98.897","0.003","90","","686.14","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","1.54178","CuKα","","0.0414","0.0403","","","0.0988","0.0999","","","","","","1.05","","","","has coordinates,has disorder","195824","2020-10-21","18:00:00",""
"1545886","7.3483","0.0004","12.121","0.0007","18.3918","0.001","90","","90","","90","","1638.13","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","0.71073","MoKα","","0.0313","0.0262","","","0.0538","0.0553","","","","","","1.046","","","","has coordinates","195825","2020-10-21","18:00:00",""
"1545887","7.3394","0.0005","12.4108","0.0008","14.7998","0.0013","107.312","0.005","100.068","0.005","91.14","0.005","1263.48","0.17","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 N2 O10 -","- C28 H28 N2 O10 -","- C56 H56 N4 O20 -","2","2","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","1.54178","CuKα","","0.051","0.0466","","","0.1219","0.1261","","","","","","1.037","","","","has coordinates","195826","2020-10-21","18:00:00",""
"1545888","8.6354","0.0004","9.6432","0.0004","14.338","0.0007","100.662","0.003","96.56","0.002","112.543","0.002","1060.91","0.09","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O2 S2 -","- C25 H25 N O2 S2 -","- C50 H50 N2 O4 S4 -","2","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0426","0.0346","","","0.0904","0.095","","","","","","1.047","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545889","8.3336","0.0017","20.386","0.004","12.286","0.003","90","","100.225","0.012","90","","2054.1","0.8","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 N O3 S -","- C21 H19 F6 N O3 S -","- C84 H76 F24 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0809","0.0548","","","0.1307","0.1435","","","","","","1.045","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545890","6.0294","0.0002","32.1226","0.0012","8.9796","0.0004","90","","100.835","0.002","90","","1708.16","0.11","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0598","0.047","","","0.1115","0.1173","","","","","","1.091","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545891","12.193","0.0005","15.497","0.0007","28.3046","0.0013","90","","93.718","0.003","90","","5337","0.4","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 O2 S -","- C33 H30 N2 O2 S -","- C264 H240 N16 O16 S8 -","8","2","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","1.54184","CuKα","","0.0689","0.0618","","","0.1605","0.1649","","","","","","1.122","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545892","8.6014","0.001","15.9764","0.0017","18.922","0.002","65.929","0.006","81.466","0.006","88.644","0.007","2345.9","0.5","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O2 S -","- C28 H28 N2 O2 S -","- C112 H112 N8 O8 S4 -","4","2","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.1814","0.0686","","","0.1423","0.1867","","","","","","0.922","","","","has coordinates","197498","2020-10-21","18:00:00",""
"1545893","11.7663","0.0003","11.7663","0.0003","7.5184","0.0003","90","","90","","90","","1040.89","0.06","173","2","173","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C4 H12 Cu2 I2 N2 -","- C4 H12 Cu2 I2 N2 -","- C16 H48 Cu8 I8 N8 -","4","","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0333","0.0263","","","0.0452","0.0469","","","","","","1.044","","","","has coordinates","195832","2020-10-21","18:00:00",""
"1545894","9.18796","0.00019","12.5494","0.0003","35.7355","0.0007","90","","90","","90","","4120.42","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H65 Cu2 I4 N15 -","- C20 H65 Cu2 I4 N15 -","- C80 H260 Cu8 I16 N60 -","4","1","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0351","0.0296","","","0.0423","0.0441","","","","","","1.003","","","","has coordinates,has disorder","195832","2020-10-21","18:00:00",""
"1545895","13.3569","0.001","11.5554","0.0008","11.4189","0.0009","90","","95.026","0.007","90","","1755.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cu2 I2 N4 -","- C8 H24 Cu2 I2 N4 -","- C32 H96 Cu8 I8 N16 -","4","1","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0648","0.0436","","","0.1533","0.1608","","","","","","1.115","","","","has coordinates","195832","2020-10-21","18:00:00",""
"1545898","9.3782","0.0012","11.6315","0.0015","17.149","0.002","90","","90","","90","","1870.7","0.4","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.","Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.","Organic letters","2017","19","10","2482","2485","10.1021/acs.orglett.7b00618","","","0.71073","MoKα","","0.0295","0.0285","","","0.0727","0.0734","","","","","","1.032","","","","has coordinates,has disorder","197480","2020-10-21","18:00:00",""
"1545899","16.6451","0.0018","5.8536","0.0006","19.416","0.002","90","","113.818","0.005","90","","1730.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","Zhou, Rong; Liu, Haiwang; Tao, Hairong; Yu, Xingjian; Wu, Jie","Metal-free direct alkylation of unfunctionalized allylic/benzylic sp3 CH bonds via photoredox induced radical cation deprotonation","Chem. Sci.","2017","","","","","10.1039/C7SC00953D","","","1.54178","CuKα","","0.1297","0.0794","","","0.1965","0.2432","","","","","","1.032","","","","has coordinates","195860","2020-10-21","18:00:00",""
"1545900","5.4583","0.0003","10.396","0.0006","19.0896","0.001","90","","98.026","0.006","90","","1072.62","0.1","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","60","9","3606","3617","10.1021/acs.jmedchem.7b00254","","x-ray","0.71073","MoKα","","0.0727","0.0509","","","0.1075","0.1217","","","","","","1.054","","","","has coordinates","197450","2020-10-21","18:00:00",""
"1545901","6.1077","0.0007","15.287","0.002","21.901","0.002","90","","90","","90","","2044.9","0.4","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C88 H112 O16 -","4","1","","Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00253","","x-ray","0.71073","MoKα","","0.109","0.072","","","0.1654","0.201","","","","","","1.045","","","","has coordinates","195873","2020-10-21","18:00:00",""
"1545902","10.0156","0.0008","6.613","0.0005","15.9543","0.0011","90","","91.121","0.007","90","","1056.5","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00253","","x-ray","0.71073","MoKα","","0.0679","0.0484","","","0.1005","0.1124","","","","","","1.076","","","","has coordinates","195874","2020-10-21","18:00:00",""
"1545903","28.3676","0.0005","12.0527","0.0002","11.4928","0.0002","90","","91.5907","0.001","90","","3927.94","0.12","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br N2 O4 -","- C20 H19 Br N2 O4 -","- C160 H152 Br8 N16 O32 -","8","2","","Suzuki, Itaru; Tsunoi, Shinji; Shibata, Ikuya","Catalytic Annulation of Diethyl Methylenecyclopropane-1,1-dicarboxylate with 1,1-Dicyanoalkenes.","Organic letters","2017","19","10","2690","2693","10.1021/acs.orglett.7b01023","","","1.54187","CuKα","","","0.0613","","","","0.1498","","","","","","1.007","","","","has coordinates","197479","2020-10-21","18:00:00",""
"1545904","9.7973","0.0016","25.876","0.004","18.478","0.003","90","","93.768","0.003","90","","4674.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H81 Li O2 -","- C50 H81 Li O2 -","- C200 H324 Li4 O8 -","4","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan","Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01062","","","0.71073","MoKα","","0.0941","0.0702","","","0.1658","0.1795","","","","","","1.064","","","","has coordinates","195886","2020-10-21","18:00:00",""
"1545905","19.931","0.004","65.396","0.014","18.862","0.004","90","","90","","90","","24585","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C126 H183 Cl6 O3 W1.5 -","- C126 H183 Cl6 O3 W1.5 -","- C1008 H1464 Cl48 O24 W12 -","8","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan","Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01062","","","0.71073","MoKα","","0.1796","0.1707","","","0.4547","0.4625","","","","","","1.274","","","","has coordinates,has disorder","195886","2020-10-21","18:00:00",""
"1545906","13.3441","0.0006","6.3849","0.0002","16.136","0.0007","90","","95.366","0.002","90","","1368.77","0.1","100","2","99.98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Br N2 O5 S2 -","- C28 H31 Br N2 O5 S2 -","- C56 H62 Br2 N4 O10 S4 -","2","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0302","0.0249","","","0.0543","0.0554","","","","","","0.983","","","","has coordinates","197486","2020-10-21","18:00:00",""
"1545907","5.4302","0.0004","15.9643","0.0012","19.0144","0.0014","90","","90","","90","","1648.3","0.2","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O3 S -","- C14 H28 N2 O3 S -","- C56 H112 N8 O12 S4 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0284","0.0268","","","0.0723","0.0747","","","","","","1.097","","","","has coordinates","197486","2020-10-21","18:00:00",""
"1545908","9.4796","0.0009","15.2993","0.0014","15.5434","0.0014","89.381","0.001","78.419","0.001","77.883","0.001","2158","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H59 Br N6 Ni O Si3 -","- C41 H59 Br N6 Ni O Si3 -","- C82 H118 Br2 N12 Ni2 O2 Si6 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0618","0.0398","","","0.0922","0.1003","","","","","","1.057","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545909","16.4836","0.0019","16.4836","0.0019","26.069","0.003","90","","90","","120","","6134.2","1.2","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C40 H54 Cu N6 Si3 -","- C40 H54 Cu N6 Si3 -","- C240 H324 Cu6 N36 Si18 -","6","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0358","0.0325","","","0.0861","0.0903","","","","","","0.96","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545910","12.834","0.0011","17.1903","0.0015","20.4108","0.0018","90","","98.1684","0.0013","90","","4457.4","0.7","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Mg N6 Si3 -","- C44 H60 Mg N6 Si3 -","- C176 H240 Mg4 N24 Si12 -","4","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0527","0.0408","","","0.103","0.1121","","","","","","1.025","","","","has coordinates,has disorder","195898","2020-10-21","18:00:00",""
"1545911","20.191","0.002","20.191","0.002","20.191","0.002","90","","90","","90","","8231.4","1.4","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Li N6 Si3 -","- C37 H51 Li N6 Si3 -","- C296 H408 Li8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0558","0.0438","","","0.1164","0.1285","","","","","","0.953","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545912","10.1605","0.001","15.4631","0.0016","15.8502","0.0016","65.3205","0.0014","86.4167","0.0016","79.4613","0.0015","2224.4","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H61 N6 Si3 -","- C46 H61 N6 Si3 -","- C92 H122 N12 Si6 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0689","0.055","","","0.1339","0.1402","","","","","","1.09","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545913","11.1387","0.0006","12.298","0.0007","17.7675","0.001","79.0698","0.0009","75.102","0.0009","65.8782","0.0009","2136.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 N6 Si3 Zn -","- C41 H57 N6 Si3 Zn -","- C82 H114 N12 Si6 Zn2 -","2","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.117","0.0602","","","0.1248","0.1496","","","","","","1.038","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545914","12.702","0.003","18.819","0.005","18.915","0.005","90","","105.63","0.004","90","","4354.2","1.9","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Br N6 Ni Si3 -","- C43 H57 Br N6 Ni Si3 -","- C172 H228 Br4 N24 Ni4 Si12 -","4","1","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.158","0.062","","","0.1074","0.1354","","","","","","0.999","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545915","20.1294","0.0017","20.1294","0.0017","20.1294","0.0017","90","","90","","90","","8156.3","1.2","130","2","130","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C37 H51 Cu N6 Si3 -","- C37 H51 Cu N6 Si3 -","- C296 H408 Cu8 N48 Si24 -","8","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0874","0.0511","","","0.1043","0.1177","","","","","","1.022","","","","has coordinates","195898","2020-10-21","18:00:00",""
"1545918","5.49","","5.49","","13.387","","90","","90","","120","","349.429","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Bismuth Sodium Titanate","BNT","","- Bi0.5 Na0.5 O9 Ti -","- Bi0.5 Na0.5 O9 Ti -","- Bi3 Na3 O54 Ti6 -","6","0.333333","","Mahmood, Natheer B.; Al-Shakarchi, Emad K.","Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT","Journal of Modern Physics","2017","8","5","844","851","10.4236/jmp.2017.85053","","","","","","1","1","","","","","","","","","","","","","","has coordinates","201368","2020-10-21","18:00:00",""
"1545919","3.9071","","3.9071","","3.9571","","90","","90","","90","","60.407","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","Bi0.5K0.5TiO3","","BKT","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","1","0.125","","Mahmood, Natheer B.; Al-Shakarchi, Emad K.","Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT","Journal of Modern Physics","2017","8","5","844","851","10.4236/jmp.2017.85053","","","","","","","","","","","","","","","","","","","","","has coordinates","201368","2020-10-21","18:00:00",""
"1545920","15.402","0.004","17.812","0.004","18.047","0.005","87.569","0.006","85.646","0.005","71.376","0.005","4677","2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C181 H119 Cl15 N16 O22 P6 Zr4 -","- C181 H119 Cl15 N16 O22 P6 Zr4 -","- C181 H119 Cl15 N16 O22 P6 Zr4 -","1","0.5","","Yagi, Yuma; Masaki, Shuhei; Iwata, Tetsuki; Nakane, Daisuke; Yasui, Takashi; Yuchi, Akio","Triphosphate Ion-Selective Electrode Based on Zr-Porphyrin Complex.","Analytical chemistry","2017","89","7","3937","3942","10.1021/acs.analchem.6b03754","","","0.7107","MoKα","","","0.1012","","","","0.2925","","","","","","1.609","","","","has coordinates","195934","2020-10-21","18:00:00",""
"1545922","9.0661","0.0008","10.4931","0.0009","34.221","0.003","90","","90","","90","","3255.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N O5 -","- C37 H39 N O5 -","- C148 H156 N4 O20 -","4","1","","Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe","Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections.","Journal of medicinal chemistry","2017","60","7","2669","2684","10.1021/acs.jmedchem.6b01261","","","1.54178","CuKα","","0.099","0.0937","","","0.2667","0.2754","","","","","","1.199","","","","has coordinates","196011","2020-10-21","18:00:00",""
"1545923","12.5069","0.0016","23.641","0.003","25.417","0.003","90","","98.788","0.002","90","","7427","1.6","296","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H60 O11 -","- C37 H56.75 O11 -","- C296 H454 O88 -","8","4","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","0.71073","MoKα","","0.1501","0.0761","","","0.1596","0.1886","","","","","","0.977","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545924","9.7656","0.0001","6.1628","0.0001","15.4441","0.0002","90","","101.53","0.001","90","","910.72","0.02","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Liu, Ye; Yu, Heng-Yi; Wang, Yan-Mei; Tian, Tian; Wu, Wen-Ming; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Neuroprotective Lignans from the Fruits of Schisandra bicolor var. tuberculata.","Journal of natural products","2017","80","4","1117","1124","10.1021/acs.jnatprod.7b00035","","","1.54178","CuKα","","0.0364","0.0357","","","0.0989","0.0995","","","","","","1.077","","","","has coordinates","196013","2020-10-21","18:00:00",""
"1545925","11.0269","0.0003","13.3801","0.0003","16.14","0.0004","90","","90","","90","","2381.31","0.1","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 O6 -","- C25 H30 Cl2 O6 -","- C100 H120 Cl8 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.0786","0.0575","","","0.1103","0.1183","","","","","","1.081","","","","has coordinates","196014","2020-10-21","18:00:00",""
"1545926","7.75029","0.00012","34.4156","0.0005","9.25694","0.00017","90","","94.6142","0.0015","90","","2461.11","0.07","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 -","- C32 H42 -","- C128 H168 -","4","1","","Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra","Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires","The Journal of Physical Chemistry C","2017","121","17","9202","","10.1021/acs.jpcc.7b02264","","x-ray","1.54184","CuKα","","0.0504","0.0403","","","0.1106","0.1201","","","","","","1.071","","","","has coordinates","196035","2020-10-21","18:00:00",""
"1545927","5.9879","0.0008","12.983","0.0017","18.904","0.003","90","","90.542","0.002","90","","1469.5","0.4","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N -","- C18 H14 F3 N -","- C72 H56 F12 N4 -","4","1","","Chen, Shuang; Li, Deng-Yuan; Jiang, Liang-Liang; Liu, Kai; Liu, Pei-Nian","Copper-Catalyzed Cascade Transformation of Homopropargyl Azides into Trifluoromethylated Nitriles via C-C Cleavage.","Organic letters","2017","19","8","2014","2017","10.1021/acs.orglett.7b00571","","","0.71073","MoKα","","0.0466","0.0363","","","0.089","0.0958","","","","","","1.019","","","","has coordinates","196061","2020-10-21","18:00:00",""
"1545928","4.7337","0.0002","6.2908","0.0002","33.7597","0.0012","90","","90","","90","","1005.32","0.06","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N O -","- C10 H14 Cl N O -","- C40 H56 Cl4 N4 O4 -","4","1","","Wei, Yi; Zhang, Heng-Xia; Zeng, Jun-Liang; Nie, Jing; Ma, Jun-An","Organocatalytic Asymmetric Decarboxylative Amination of β-Keto Acids: Access to Optically Active α-Amino Ketones and 1,2-Amino Alcohols.","Organic letters","2017","19","8","2162","2165","10.1021/acs.orglett.7b00797","","","1.54184","CuKα","","0.0491","0.0476","","","0.1128","0.1134","","","","","","1.083","","","","has coordinates","196062","2020-10-21","18:00:00",""
"1545929","9.1478","0.0005","11.1509","0.0006","12.6918","0.0007","90","","90","","90","","1294.64","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.71073","MoKα","","0.0695","0.0479","","","0.0837","0.0968","","","","","","1.03","","","","has coordinates","196063","2020-10-21","18:00:00",""
"1545930","13.7906","0.0019","11.0012","0.0015","15.176","0.002","90","","106.407","0.002","90","","2208.6","0.5","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 B N2 O -","- C29 H25 B N2 O -","- C116 H100 B4 N8 O4 -","4","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","","0.71073","MoKα","","0.1214","0.0616","","","0.1273","0.1485","","","","","","0.799","","","","has coordinates","196064","2020-10-21","18:00:00",""
"1545931","16.2687","0.0009","22.872","0.0012","9.2415","0.0004","90","","90","","90","","3438.7","0.3","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C33 H27 Br2 Cl3 D N3 O3 -","- C33 H27 Br2 Cl3 N3 O3 -","- C132 H108 Br8 Cl12 N12 O12 -","4","1","","Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang","Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.","Organic letters","2017","19","8","1954","1957","10.1021/acs.orglett.7b00368","","","0.71073","MoKα","","0.1337","0.0837","","","0.1888","0.2138","","","","","","1.074","","","","has coordinates","196065","2020-10-21","18:00:00",""
"1545932","8.5702","0.0002","19.8368","0.0008","13.8839","0.0005","90","","93.903","0.003","90","","2354.86","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 O8 -","- C32 H24 O8 -","- C128 H96 O32 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0654","0.0486","","","0.1334","0.1478","","","","","","1.024","","","","has coordinates","196066","2020-10-21","18:00:00",""
"1545933","13.7367","0.0001","8.5632","0.0001","19.5622","0.0002","90","","97.697","0.001","90","","2280.37","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O7 -","- C31 H22 O7 -","- C124 H88 O28 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang","Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.","Organic letters","2017","19","8","2142","2145","10.1021/acs.orglett.7b00786","","","1.54184","CuKα","","0.0456","0.0437","","","0.1186","0.1205","","","","","","1.008","","","","has coordinates","196067","2020-10-21","18:00:00",""
"1545934","7.5261","0.0003","12.0151","0.0004","23.1016","0.0008","89.001","0.003","85.625","0.003","82.143","0.003","2063.31","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 B F2 N2 O4 -","- C21 H25 B F2 N2 O4 -","- C84 H100 B4 F8 N8 O16 -","4","2","","Patalag, Lukas J.; Ulrichs, Jan A.; Jones, Peter G.; Werz, Daniel B.","Decorated BODIPY Fluorophores and Thiol-Reactive Fluorescence Probes by an Aldol Addition.","Organic letters","2017","19","8","2090","2093","10.1021/acs.orglett.7b00693","","","1.54184","CuKα","","0.046","0.0419","","","0.1087","0.1115","","","","","","1.047","","","","has coordinates,has disorder","196068","2020-10-21","18:00:00",""
"1545935","26.0091","0.0005","6.2157","0.0001","15.4618","0.0002","90","","123.549","0.001","90","","2083.22","0.06","175","2","175","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54178","CuKα","","0.0297","0.0289","","","0.0811","0.0819","","","","","","1.066","","","","has coordinates","196069","2020-10-21","18:00:00",""
"1545936","10.4021","0.001","11.1735","0.0009","21.729","0.003","90","","98","0.011","90","","2500.9","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C88 H168 N24 -","8","2","","Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis and Reactivity of 1-Allenyltriazenes.","Organic letters","2017","19","8","2070","2073","10.1021/acs.orglett.7b00671","","x-ray","1.54184","CuKα","","0.1303","0.0949","","","0.2668","0.3074","","","","","","1.027","","","","has coordinates,has disorder","196070","2020-10-21","18:00:00",""
"1545937","10.4082","0.0005","7.7785","0.0003","19.6994","0.0009","90","","90","","90","","1594.87","0.12","150","0.1","150","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis and Reactivity of 1-Allenyltriazenes.","Organic letters","2017","19","8","2070","2073","10.1021/acs.orglett.7b00671","","x-ray","1.54184","CuKα","","0.0335","0.0291","","","0.0716","0.0743","","","","","","1.073","","","","has coordinates","196071","2020-10-21","18:00:00",""
"1545938","27.621","0.006","7.7207","0.0016","12.441","0.002","90","","91.434","0.007","90","","2652.3","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 O2 Si -","- C26 H48 O2 Si -","- C104 H192 O8 Si4 -","4","1","","Werner, Bettina; Kalesse, Markus","Pinacol Coupling Strategy for the Construction of the Bicyclo[6.4.1]tridecane Framework of Schiglautone A.","Organic letters","2017","19","7","1524","1526","10.1021/acs.orglett.7b00288","","","0.71073","MoKα","","0.1032","0.0555","","","0.1299","0.1483","","","","","","1.028","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545939","8.69815","0.00008","8.99657","0.00008","11.2368","0.00011","90","","99.4584","0.0009","90","","867.365","0.014","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Ding, Qiang; Wang, Qiuyan; He, Huan; Cai, Qian","Asymmetric Synthesis of (-)-Pterocarine and (-)-Galeon via Chiral Phase Transfer-Catalyzed Atropselective Formation of Diarylether Cyclophane Skeleton.","Organic letters","2017","19","7","1804","1807","10.1021/acs.orglett.7b00570","","x-ray","1.54184","CuKα","","0.0364","0.0341","","","0.0886","0.0915","","","","","","1.072","","","","has coordinates","196073","2020-10-21","18:00:00",""
"1545940","18.154","0.009","19.79","0.01","13.725","0.008","90","","112.371","0.007","90","","4560","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C208 H208 N16 O24 S8 -","8","1","","Bai, Lu; Wang, Yan; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Diastereoselective Synthesis of Dibenzo[b,d]azepines by Pd(II)-Catalyzed [5 + 2] Annulation of o-Arylanilines with Dienes.","Organic letters","2017","19","7","1734","1737","10.1021/acs.orglett.7b00503","","","0.71073","MoKα","","0.1219","0.0554","","","0.1262","0.1697","","","","","","0.964","","","","has coordinates","196074","2020-10-21","18:00:00",""
"1545941","39.96","0.03","11.468","0.009","28.37","0.02","90","","134.78","","90","","9228","12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cl O -","- C12 H13 Cl O -","- C384 H416 Cl32 O32 -","32","4","","Shen, Yangyong; Huang, Bo; Zheng, Jing; Lin, Chen; Liu, Yu; Cui, Sunliang","Csp-Csp(3) Bond Formation via Iron(III)-Promoted Hydroalkynylation of Unactivated Alkenes.","Organic letters","2017","19","7","1744","1747","10.1021/acs.orglett.7b00499","","","0.71073","MoKα","","0.1729","0.0589","","","0.1239","0.162","","","","","","0.851","","","","has coordinates","196075","2020-10-21","18:00:00",""
"1545942","8.082","0.0016","23.635","0.005","5.257","0.0011","90","","100.75","0.03","90","","986.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian","A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid.","Organic letters","2017","19","7","1748","1751","10.1021/acs.orglett.7b00507","","","0.71073","MoKα","","0.0967","0.0591","","","0.1562","0.1837","","","","","","1.005","","","","has coordinates","196076","2020-10-21","18:00:00",""
"1545943","9.793","0.003","12.819","0.004","11.666","0.003","90","","109.278","0.006","90","","1382.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C68 H48 Cl4 N4 O4 -","4","1","","Wang, Shun; Guo, Yong-Qiang; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","K2CO3-Mediated Cyclization and Rearrangement of γ,δ-Alkynyl Oximes To Form Pyridols.","Organic letters","2017","19","7","1574","1577","10.1021/acs.orglett.7b00389","","","0.71073","MoKα","","0.1212","0.0553","","","0.1092","0.1484","","","","","","0.995","","","","has coordinates","196077","2020-10-21","18:00:00",""
"1545944","10.013","0.003","5.4697","0.0017","11.876","0.004","90","","96.71","0.03","90","","646","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 S -","- C14 H14 N4 S -","- C28 H28 N8 S2 -","2","1","","Haidasz, Evan A.; Pratt, Derek A.","Diazaphenoxazines and Diazaphenothiazines: Synthesis of the ""Correct"" Isomers Reveals They Are Highly Reactive Radical-Trapping Antioxidants.","Organic letters","2017","19","7","1854","1857","10.1021/acs.orglett.7b00615","","","0.71073","MoKα","","0.0717","0.0432","","","0.0968","0.1086","","","","","","1.044","","","","has coordinates","196078","2020-10-21","18:00:00",""
"1545945","16.5759","0.0006","13.1086","0.0005","12.2124","0.0005","90","","108.101","0.002","90","","2522.27","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 N4 O4 -","- C60 H56 N4 O4 -","- C120 H112 N8 O8 -","2","0.5","","Tominaga, Masahide; Takahashi, Eri; Ukai, Hiroyuki; Ohara, Kazuaki; Itoh, Tsutomu; Yamaguchi, Kentaro","Solvent-Dependent Self-Assembly and Crystal Structures of a Salen-Based Macrocycle.","Organic letters","2017","19","7","1508","1511","10.1021/acs.orglett.7b00264","","","1.54178","CuKα","","0.0496","0.0425","","","0.1126","0.12","","","","","","0.847","","","","has coordinates","196079","2020-10-21","18:00:00",""
"1545946","6.4551","0.0002","13.9906","0.0003","19.732","0.0006","90","","90","","90","","1782.01","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N2 O4 -","- C19 H16 Cl2 N2 O4 -","- C76 H64 Cl8 N8 O16 -","4","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","1.54184","CuKα","","0.0495","0.0472","","0.1279","0.1257","0.1279","","","","","","0.9348","","","","has coordinates","196080","2020-10-21","18:00:00",""
"1545947","8.2596","0.0002","7.268","0.0002","13.7048","0.0005","90","","102.076","0.0015","90","","804.5","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","0.71073","MoKα","","0.041","0.0361","","0.0915","0.0883","0.0915","","","","","","0.9932","","","","has coordinates","196080","2020-10-21","18:00:00",""
"1545948","14.5321","0.0014","4.2646","0.0005","17.6646","0.0019","90","","96.996","0.005","90","","1086.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0681","0.0543","","","0.1589","0.1879","","","","","","1.163","","","","has coordinates","196081","2020-10-21","18:00:00",""
"1545949","36.172","0.006","4.3144","0.0006","21.587","0.003","90","","125.607","0.003","90","","2739","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C120 H160 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0559","0.0383","","","0.0881","0.097","","","","","","1.026","","","","has coordinates","196082","2020-10-21","18:00:00",""
"1545950","12.6329","0.0003","15.5564","0.0004","16.0916","0.0004","96.072","0.001","105.849","0.001","94.847","0.001","3003.75","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","4","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0753","0.0454","","","0.1289","0.1655","","","","","","1.054","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545951","9.5486","0.0005","14.0756","0.0009","5.967","0.0003","90","","105.349","0.002","90","","773.37","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O2 S -","- C7 H7 N O2 S -","- C28 H28 N4 O8 S4 -","4","1","","Reddy, Mallu Kesava; Mallik, Sumitava; Ramakrishna, Isai; Baidya, Mahiuddin","Nitrosocarbonyl-Henry and Denitration Cascade: Synthesis of α-Ketoamides and α-Keto Oximes.","Organic letters","2017","19","7","1694","1697","10.1021/acs.orglett.7b00482","","","0.71073","MoKα","","0.0586","0.0441","","","0.1198","0.1301","","","","","","1.05","","","","has coordinates","196084","2020-10-21","18:00:00",""
"1545952","26.0702","0.0018","10.9823","0.0007","21.191","0.0012","90","","108.083","0.006","90","","5767.5","0.7","290.9","0.1","290.9","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N4 O4 Si -","- C26 H38 N4 O4 Si -","- C208 H304 N32 O32 Si8 -","8","1","","Wang, Taimin; Duan, Xiaoguang; Zhao, Hua; Zhai, Shengxian; Tao, Cheng; Wang, Huifei; Li, Yun; Cheng, Bin; Zhai, Hongbin","Asymmetric Total Synthesis of (-)-Aspidophylline A.","Organic letters","2017","19","7","1650","1653","10.1021/acs.orglett.7b00448","","","0.7107","MoKα","","0.1316","0.0697","","","0.1601","0.2063","","","","","","1.018","","","","has coordinates,has disorder","196085","2020-10-21","18:00:00",""
"1545953","7.9238","0.0005","11.0281","0.0008","25.0507","0.0018","90","","90","","90","","2189","0.3","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Wang, Dan; Hou, Min; Ji, Yue; Gao, Shuanhu","Total Synthesis of Scholarisine K and Alstolactine A.","Organic letters","2017","19","7","1922","1925","10.1021/acs.orglett.7b00722","","","1.54178","CuKα","","0.1022","0.0924","","","0.2385","0.2474","","","","","","1.006","","","","has coordinates","196086","2020-10-21","18:00:00",""
"1545954","5.3333","0.0004","19.6192","0.0016","23.4352","0.0018","90","","90","","90","","2452.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O3 S -","- C27 H24 F3 N O3 S -","- C108 H96 F12 N4 O12 S4 -","4","1","","Wang, Huamin; Zhou, Wei; Tao, Mengna; Hu, Anjing; Zhang, Junliang","Functionalized Tetrahydropyridines by Enantioselective Phosphine-Catalyzed Aza-[4 + 2] Cycloaddition of N-Sulfonyl-1-aza-1,3-dienes with Vinyl Ketones.","Organic letters","2017","19","7","1710","1713","10.1021/acs.orglett.7b00489","","","0.71073","MoKα","","0.0597","0.0378","","","0.0778","0.087","","","","","","1.014","","","","has coordinates,has disorder","196087","2020-10-21","18:00:00",""
"1545955","5.521","0.003","17.785","0.008","9.852","0.005","90","","91.837","0.009","90","","966.9","0.8","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C44 H44 O12 -","2","1","","Zhou, Weiping; Ni, Chunjie; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng","Enantioselective Synthesis of 4H-Pyran via Amine-Catalyzed Formal (3 + 3) Annulation of δ-Acetoxy Allenoate.","Organic letters","2017","19","7","1890","1893","10.1021/acs.orglett.7b00658","","","0.71073","MoKα","","0.1601","0.0592","","","0.1217","0.1545","","","","","","0.927","","","","has coordinates","196088","2020-10-21","18:00:00",""
"1545956","18.8061","0.0009","5.9523","0.0002","13.3383","0.0006","90","","90.605","0.002","90","","1493","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 Se -","- C17 H13 N O3 Se -","- C68 H52 N4 O12 Se4 -","4","1","","Dana, Suman; Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Ru(II)-Catalyzed C-H Functionalization on Maleimides with Electrophiles: A Demonstration of Umpolung Strategy.","Organic letters","2017","19","7","1902","1905","10.1021/acs.orglett.7b00674","","","0.71073","MoKα","","0.055","0.0351","","","0.0658","0.0725","","","","","","1.027","","","","has coordinates","196089","2020-10-21","18:00:00",""
"1545957","7.6027","0.0003","16.7807","0.0006","21.1178","0.0005","90","","90","","90","","2694.18","0.16","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C128 H96 Br4 N12 O12 -","4","1","","Liu, Jin-Yu; Zhao, Jing; Zhang, Jia-Lu; Xu, Peng-Fei","Quaternary Carbon Center Forming Formal [3 + 3] Cycloaddition Reaction via Bifunctional Catalysis: Asymmetric Synthesis of Spirocyclohexene Pyrazolones.","Organic letters","2017","19","7","1846","1849","10.1021/acs.orglett.7b00610","","","0.7107","MoKα","","0.0635","0.0457","","","0.0775","0.0857","","","","","","1.014","","","","has coordinates","196090","2020-10-21","18:00:00",""
"1545958","7.6208","0.0003","21.2775","0.0007","11.1815","0.0004","90","","105.554","0.002","90","","1746.7","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F3 N2 O -","- C23 H13 F3 N2 O -","- C92 H52 F12 N8 O4 -","4","1","","Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu","Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids.","Organic letters","2017","19","7","1764","1767","10.1021/acs.orglett.7b00442","","","1.54178","CuKα","","0.0533","0.0471","","","0.1264","0.1325","","","","","","1.02","","","","has coordinates","196091","2020-10-21","18:00:00",""
"1545959","9.8361","0.001","9.9871","0.001","12.5171","0.0014","98.404","0.009","92.358","0.009","94.506","0.008","1210.9","0.2","291.89","0.1","291.89","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C54 H68 O6 -","2","1","","Zhang, Xiang-Zhi; Deng, Yu-Hua; Gan, Kang-Ji; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Fan, Chun-An","Tandem Spirocyclopropanation/Rearrangement Reaction of Vinyl p-Quinone Methides with Sulfonium Salts: Synthesis of Spirocyclopentenyl p-Dienones.","Organic letters","2017","19","7","1752","1755","10.1021/acs.orglett.7b00516","","","0.71073","MoKα","","0.1509","0.0714","","","0.1608","0.2233","","","","","","1.036","","","","has coordinates","196092","2020-10-21","18:00:00",""
"1545960","27.36","0.006","6.8093","0.0014","25.381","0.005","90","","112.41","0.03","90","","4371.4","1.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H24 N12 O7 -","- C39 H24 N12 O7 -","- C156 H96 N48 O28 -","4","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.1325","0.1059","","","0.3007","0.3263","","","","","","1.142","","","","has coordinates,has disorder","196093","2020-10-21","18:00:00",""
"1545961","11.034","0.004","13.836","0.005","19.748","0.007","105.366","0.005","101.194","0.005","101.131","0.003","2754.9","1.7","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cl6 N6 O6 -","- C60 H48 Cl6 N6 O6 -","- C120 H96 Cl12 N12 O12 -","2","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.1233","0.0876","","","0.1873","0.2046","","","","","","1.138","","","","has coordinates,has disorder","196094","2020-10-21","18:00:00",""
"1545962","5.1414","0.0005","15.2261","0.0018","18.358","0.002","90","","97.59","0.003","90","","1424.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Br S -","- C20 H11 Br S -","- C80 H44 Br4 S4 -","4","1","","Ozaki, Kyohei; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-Extension (APEX) of Heteroarenes with Dibenzosiloles and Dibenzogermoles by Palladium/o-Chloranil Catalysis.","Organic letters","2017","19","7","1930","1933","10.1021/acs.orglett.7b00684","","","0.71075","MoKα","","0.0271","0.0212","","","0.0544","0.0569","","","","","","1.037","","","","has coordinates","196095","2020-10-21","18:00:00",""
"1545963","9.5441","0.0002","7.5459","0.0002","27.2946","0.0019","90","","96.595","0.007","90","","1952.72","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br N2 O -","- C23 H21 Br N2 O -","- C92 H84 Br4 N8 O4 -","4","1","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J.","Base-Controlled Diastereoselective Synthesis of Either anti- or syn-β-Aminonitriles.","Organic letters","2017","19","7","1918","1921","10.1021/acs.orglett.7b00679","","x-ray","1.54187","CuKα","","0.1007","0.0862","","","0.2244","0.2442","","","","","","1.17","","","","has coordinates","196096","2020-10-21","18:00:00",""
"1545964","9.4676","0.0005","15.2732","0.0007","12.2821","0.0006","90","","96.493","0.002","90","","1764.61","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C64 H68 O20 -","2","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.0549","0.0433","","","0.1153","0.1218","","","","","","1.007","","","","has coordinates","196097","2020-10-21","18:00:00",""
"1545965","11.0916","0.0006","8.5446","0.0004","23.4141","0.0013","90","","95.772","0.006","90","","2207.8","0.2","107.3","","107.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","","Wang, Chunyu; Wang, Zhonglei; Xie, Xiaoni; Yao, Xiaotong; Li, Guang; Zu, Liansuo","Total Synthesis of (±)-Grandilodine B.","Organic letters","2017","19","7","1828","1830","10.1021/acs.orglett.7b00591","","","0.7107","MoKα","","0.069","0.0508","","","0.1097","0.1202","","","","","","1.034","","","","has coordinates","196098","2020-10-21","18:00:00",""
"1545966","10.666","0.009","6.294","0.005","11.33","0.009","90","","109.47","0.011","90","","717.1","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0508","0.0432","","","0.1304","0.1399","","","","","","1.076","","","","has coordinates","196099","2020-10-21","18:00:00",""
"1545967","9.0447","0.0008","10.6072","0.0009","11.4907","0.0009","70.444","0.003","89.544","0.004","67.304","0.003","949.01","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F3 N O2 S -","- C21 H20 F3 N O2 S -","- C42 H40 F6 N2 O4 S2 -","2","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.0627","0.0419","","","0.0982","0.1156","","","","","","0.721","","","","has coordinates","196100","2020-10-21","18:00:00",""
"1545968","7.1072","0.0005","23.128","0.002","10.8794","0.0011","90","","90","","90","","1788.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","cc185bc","","","- C18 H19 Br F3 N O2 S -","- C18 H19 Br F3 N O2 S -","- C72 H76 Br4 F12 N4 O8 S4 -","4","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","x-ray","0.71073","MoKα","","0.0541","0.0335","","","0.0583","0.0638","","","","","","1.021","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1545969","23.234","0.006","33.003","0.008","7.7417","0.0017","90","","95.771","0.007","90","","5906","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N O2 S -","- C21 H20 F3 N O2 S -","- C252 H240 F36 N12 O24 S12 -","12","3","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.1373","0.0648","","","0.1425","0.1761","","","","","","1.025","","","","has coordinates","196100","2020-10-21","18:00:00",""
"1545970","7.4533","0.0008","8.8064","0.001","9.0773","0.0009","74.195","0.004","68.403","0.004","81.369","0.004","532.21","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 F3 N O2 S -","- C10 H8 F3 N O2 S -","- C20 H16 F6 N2 O4 S2 -","2","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","","0.71073","MoKα","","0.0857","0.0759","","","0.2004","0.2105","","","","","","1.022","","","","has coordinates","196100","2020-10-21","18:00:00",""
"1545971","21.1037","0.0008","21.1037","0.0008","10.4985","0.0006","90","","90","","120","","4049.3","0.3","113.15","","113.15","","","","","","","","","4","P 61","P 61","169","","","","- C33 H35 N O -","- C33 H35 N O -","- C198 H210 N6 O6 -","6","1","","Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming","Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence.","Organic letters","2017","19","7","1520","1523","10.1021/acs.orglett.7b00284","","","0.71073","MoKα","","0.0367","0.0326","","","0.0788","0.0813","","","","","","1.051","","","","has coordinates","196101","2020-10-21","18:00:00",""
"1545972","8.812","0.0002","11.495","0.0004","19.111","0.0005","90","","90","","90","","1935.83","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Hydroxy-Directed Enantioselective Hydroxyalkylation in the Carbocyclic Ring of Indoles.","Organic letters","2017","19","7","1546","1549","10.1021/acs.orglett.7b00354","","","0.71073","MoKα","","0.0844","0.043","","","0.0976","0.1153","","","","","","0.908","","","","has coordinates","196102","2020-10-21","18:00:00",""
"1545973","11.188","0.002","25.322","0.005","16.401","0.003","90","","93.32","0.03","90","","4638.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 Cl2 N2 P2 Ru -","- C41 H40 Cl2 N2 P2 Ru -","- C164 H160 Cl8 N8 P8 Ru4 -","4","1","","Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst","Catal. Sci. Technol.","2017","7","8","1654","","10.1039/C7CY00342K","","","0.71073","MoKα","","","0.0736","","","0.1795","0.1921","","","","","","1.034","","","","has coordinates","196197","2020-10-21","18:00:00",""
"1545974","6.2846","0.0003","11.2864","0.0006","14.5243","0.0008","90","","90","","90","","1030.22","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.031","0.0299","","","0.0757","0.0767","","","","","","1.061","","","","has coordinates","197478","2020-10-21","18:00:00",""
"1545975","6.2929","0.001","11.2901","0.0017","14.454","0.002","90","","90","","90","","1026.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.0267","0.0267","","","0.0701","0.0701","","","","","","1.078","","","","has coordinates","197478","2020-10-21","18:00:00",""
"1545976","17.0396","0.0003","27.7804","0.0006","34.0065","0.0006","90","","90.253","0.002","90","","16097.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 I2 N32 O14 -","- C60 H64 I1.9995 N32 O14 -","- C480 H512 I15.996 N256 O112 -","8","2","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.1387","0.101","","","0.2914","0.3243","","","","","","1.015","","","","has coordinates","197482","2020-10-21","18:00:00",""
"1545977","8.7243","0.0004","12.504","0.0005","26.5448","0.001","90","","90","","90","","2895.7","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N2 O6 -","- C33 H36 N2 O6 -","- C132 H144 N8 O24 -","4","1","","Ejima, Hirotaka; Wakita, Fumihiro; Imamura, Ryo; Kato, Takuya; Hosokawa, Seijiro","Stereoselective Synthesis of Tabtoxinine-β-lactam by Using the Vinylogous Mukaiyama Aldol Reaction with Acetate-Type Vinylketene Silyl N,O-Acetal and α-Keto-β-lactam","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00814","","","0.71075","MoKα","","0.0518","0.0462","","","0.122","0.127","","","","","","1.045","","","","has coordinates","196201","2020-10-21","18:00:00",""
"1545978","11.6661","0.0003","22.7624","0.0005","15.2664","0.0004","90","","108.677","0.001","90","","3840.48","0.17","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cu2.7 Li1.3 N4 -","- C36 H72 Cu2.697 Li1.303 N4 -","- C144 H288 Cu10.788 Li5.212 N16 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0741","0.0501","","","0.1085","0.1167","","","","","","1.055","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545979","11.8638","0.0003","12.043","0.0003","12.2033","0.0003","82.499","0.001","66.906","0.001","72.489","0.001","1529.35","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H104 Li6 N6 O6 -","- C54 H104 Li6 N6 O6 -","- C54 H104 Li6 N6 O6 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0632","0.0502","","","0.1308","0.14","","","","","","1.035","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545980","7.9156","0.0003","13.4775","0.0005","13.8111","0.0006","110.986","0.002","94.546","0.002","104.331","0.002","1309.7","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Cu0.21 Li5.79 N6 O4 -","- C46 H88 Cu0.2082 Li5.7918 N6 O4 -","- C46 H88 Cu0.2082 Li5.7918 N6 O4 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0683","0.0515","","","0.1282","0.1388","","","","","","1.026","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545981","11.9447","0.0008","13.7635","0.0009","16.4214","0.0011","80.989","0.003","78.164","0.003","67.824","0.003","2437.5","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H88 Cu Li4 N9 O -","- C37 H88 Cu Li4 N9 O -","- C74 H176 Cu2 Li8 N18 O2 -","2","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0721","0.0572","","","0.173","0.1881","","","","","","1.048","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545982","8.4118","0.0004","11.5807","0.0005","13.5645","0.0006","98.376","0.002","95.058","0.002","94.955","0.002","1295.58","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Cu2 Li4 N6 O4 -","- C46 H88 Cu2 Li4 N6 O4 -","- C46 H88 Cu2 Li4 N6 O4 -","1","0.5","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.0386","0.0351","","","0.0965","0.1026","","","","","","1.082","","","","has coordinates","196206","2020-10-21","18:00:00",""
"1545983","17.7718","0.0004","12.1985","0.0003","17.2945","0.0005","90","","118.237","0.001","90","","3303.09","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br Li3 N6 -","- C24 H60 Br Li3 N6 -","- C96 H240 Br4 Li12 N24 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.071","0.0414","","","0.0794","0.0901","","","","","","1.023","","","","has coordinates","196206","2020-10-21","18:00:00",""
"1545984","17.7591","0.0008","12.2389","0.0006","17.2889","0.0008","90","","118.227","0.002","90","","3310.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br Cu0.09 Li2.91 N6 -","- C24 H60 Br Cu0.094 Li2.906 N6 -","- C96 H240 Br4 Cu0.376 Li11.624 N24 -","4","1","","Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan","Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01423F","","","1.54184","CuKα","","0.1287","0.0825","","","0.1401","0.1524","","","","","","1.117","","","","has coordinates,has disorder","196206","2020-10-21","18:00:00",""
"1545985","16.7641","0.0007","11.6113","0.0004","14.8749","0.0007","90","","112.159","0.005","90","","2681.6","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C96 H112 N16 O24 -","4","1","","Nikolayevskiy, Herman; Tun, Kyaw Moe; Rablen, Paul R.; Ben Mamoun, Choukri; Herzon, Seth","A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A1. Evidence for a structural revision.","Chem. Sci.","2017","","","","","10.1039/C7SC01127J","","","1.54184","CuKα","","0.095","0.0604","","","0.1491","0.1691","","","","","","1.02","","","","has coordinates","196207","2020-10-21","18:00:00",""
"1545986","13.3652","0.0004","18.9012","0.0007","14.5561","0.0005","90","","104.314","0.004","90","","3563","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N4 O6 Pd2 S2 -","- C30 H44 N4 O6 Pd2 S2 -","- C120 H176 N16 O24 Pd8 S8 -","4","1","","St John-Campbell, Sahra; White, Andrew J. P.; Bull, James A.","Single Operation Palladium Catalysed C(sp3)‒H Functionalisation of Tertiary Aldehydes: Investigations into Transient Imine Directing Groups","Chem. Sci.","2017","","","","","10.1039/C7SC01218G","","","0.71073","MoKα","","0.0511","0.0345","","","0.0659","0.0736","","","","","","1.055","","","","has coordinates","196208","2020-10-21","18:00:00",""
"1545987","25.037","0.009","9.586","0.001","24.537","0.006","90","0.01","120.09","0.02","90","0.02","5095","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H39 Br4 N7 Zn -","- C59 H39 Br4 N7 Zn -","- C236 H156 Br16 N28 Zn4 -","4","0.5","","Bertini, Federica; Glatz, Mathias; Gorgas, Nikolaus; Stoeger, Berthold; Peruzzini, Maurizio; Veiros, Luis Filipe F.; Kirchner, Karl; Gonsalvi, Luca","Carbon Dioxide Hydrogenation Catalysed by Well-defined Mn(I) PNP Pincer Hydride Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC00209B","","","0.7107","MoKα","","0.175","0.092","","0.2424","0.1958","","","","0.953","1.151","1.151","","","","","has coordinates","196209","2020-10-21","18:00:00",""
"1545988","9.048","0.0006","15.1904","0.001","19.1737","0.0012","73.9435","0.0008","78.7765","0.0008","88.9763","0.0008","2482.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H50 Au F8 I2 K N4 O12.5 -","- C39 H50 Au F8 I2 K N4 O12.5 -","- C78 H100 Au2 F16 I4 K2 N8 O25 -","2","1","","Christopherson, Jan-Constantin; Potts, Karlie P.; Bushuyev, Oleksandr S.; Topić, Filip; Huskic, Igor; Rissanen, Kari; Barrett, Christopher J.; Friščić, Tomislav","Assembly and dichroism of a four-component halogen-bonded metal-organic cocrystal salt solvate involving dicyanoaurate(I) acceptors","Faraday Discuss.","2017","","","","","10.1039/C7FD00114B","","","0.71073","MoKα","","0.0591","0.042","","","0.1037","0.1151","","","","","","1.017","","","","has coordinates,has disorder","196211","2020-10-21","18:00:00",""
"1545989","12.9848","0.001","19.382","0.0015","22.2953","0.0017","90","","99.8421","0.001","90","","5528.5","0.7","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H76 N2 O12 -","- C61 H76 N2 O12 -","- C244 H304 N8 O48 -","4","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.089","0.0561","","","0.131","0.149","","","","","","1.024","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1545990","17.819","0.003","17.457","0.003","34.337","0.005","90","","90","","90","","10681","3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C61 H71 N3 O10 -","- C61 H71 N3 O10 -","- C488 H568 N24 O80 -","8","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.1513","0.1148","","","0.2232","0.2406","","","","","","1.166","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1545991","15.96905","0.00013","20.99152","0.00016","10.22172","0.00008","90","","96.6779","0.0007","90","","3403.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 N4 O10 S -","- C31 H48 N4 O10 S -","- C124 H192 N16 O40 S4 -","4","1","","Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing","Helical Folding of Meta-Connected Aromatic Oligoureas.","Organic letters","2017","19","10","2666","2669","10.1021/acs.orglett.7b01005","","x-ray","1.54184","CuKα","","0.0373","0.035","","","0.0854","0.0872","","","","","","1.062","","","","has coordinates","197481","2020-10-21","18:00:00",""
"1545992","11.689","0.004","14.24","0.004","17.345","0.005","112.693","0.004","101.236","0.005","97.554","0.005","2543.5","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N6 O17 -","- C46 H70 N6 O17 -","- C92 H140 N12 O34 -","2","1","","Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing","Helical Folding of Meta-Connected Aromatic Oligoureas.","Organic letters","2017","19","10","2666","2669","10.1021/acs.orglett.7b01005","","","0.71073","MoKα","","0.1101","0.0959","","","0.2343","0.2427","","","","","","1.205","","","","has coordinates","197481","2020-10-21","18:00:00",""
"1545993","7.689","0.003","10.82","0.004","11.135","0.005","100.707","0.003","101.208","0.003","106.471","0.003","842.4","0.6","298","2","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C44 H36 O4 -","2","1","","Liang, Man; Zhang, Shuai; Jia, Jiong; Tung, Chen-Ho; Wang, Jianwu; Xu, Zhenghu","Synthesis of Spiroketals by Synergistic Gold and Scandium Catalysis","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00804","","","0.71","MoKα","","0.051","0.0361","","","0.0806","0.0891","","","","","","1.049","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545994","9.1593","0.0007","11.0566","0.0008","12.405","0.0009","64.95","0.001","76.98","0.001","89.327","0.001","1103.85","0.14","90","2","90.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl N2 O7 S -","- C23 H17 Cl N2 O7 S -","- C46 H34 Cl2 N4 O14 S2 -","2","1","","Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.","Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.","Organic letters","2017","19","10","2466","2469","10.1021/acs.orglett.7b00468","","","0.71073","MoKα","","0.0451","0.0373","","","0.0984","0.1034","","","","","","1.021","","","","has coordinates","197485","2020-10-21","18:00:00",""
"1545995","13.7214","0.0014","9.2266","0.0009","34.566","0.004","90","","91.593","0.002","90","","4374.4","0.8","100","2","99.99","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H17 N3 O7 S -","- C24 H17 N3 O7 S -","- C192 H136 N24 O56 S8 -","8","1","","Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.","Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.","Organic letters","2017","19","10","2466","2469","10.1021/acs.orglett.7b00468","","","0.71073","MoKα","","0.0357","0.0326","","","0.088","0.09","","","","","","1.049","","","","has coordinates","197485","2020-10-21","18:00:00",""
"1545996","16.1455","0.0018","19.402","0.002","9.224","0.001","90","","103.732","0.002","90","","2806.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 N7 Ni O3 -","- C25 H27 Cl2 N7 Ni O3 -","- C100 H108 Cl8 N28 Ni4 O12 -","4","1","","Dai, Zengjin; Luo, Qin; Jiang, Huan; Luo, Qi; Li, Hua; Zhang, Jing; Peng, Tianyou","Ni(II)-N′NN′ Pincer Complexes Catalyzed Dehydrogenation of Primary Alcohols to Carboxylic acids and H2 Accompanied by the Alcohol Etherification","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00432J","","","0.71073","MoKα","","0.0736","0.0423","","","0.0917","0.1092","","","","","","1","","","","has coordinates","196542","2020-10-21","18:00:00",""
"1545997","8.76","0.003","13.957","0.005","16.322","0.005","90","","90","","90","","1995.6","1.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.0889","0.0795","","","0.24","0.2659","","","","","","1.087","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1545998","13.869","0.009","9.736","0.008","14.969","0.011","90","","105.103","0.018","90","","1951","3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","liux-1","","- C40 H36 N3 O14 -","- C40 H36 N3 O14 -","- C80 H72 N6 O28 -","2","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.1221","0.0992","","","0.2557","0.3148","","","","","","1.023","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1546001","7.8742","0.001","12.2573","0.0003","13.1272","0.0004","90","","107.166","0.01","90","","1210.55","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang","Toward the Total Synthesis of Eurifoloid A.","Organic letters","2017","19","10","2742","2745","10.1021/acs.orglett.7b01102","","","1.54178","CuKα","","0.0518","0.0478","","","0.1246","0.129","","","","","","1.102","","","","has coordinates","197483","2020-10-21","18:00:00",""
"1546002","10.393","0.0007","11.0108","0.0013","11.0248","0.0012","87.324","0.009","66.406","0.009","79.801","0.008","1137.5","0.2","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","1","","Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01025","","","0.71073","MoKα","","0.0935","0.0552","","","0.114","0.1349","","","","","","1.065","","","","has coordinates","196597","2020-10-21","18:00:00",""
"1546003","10.3505","0.0009","8.6159","0.0008","27.293","0.003","90","","99.307","0.009","90","","2401.9","0.4","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mes","","- C30 H25 N S -","- C30 H25 N S -","- C120 H100 N4 S4 -","4","1","","Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01025","","","0.71073","MoKα","","0.1147","0.0598","","","0.1285","0.1595","","","","","","1.036","","","","has coordinates","196597","2020-10-21","18:00:00",""
"1546004","5.7733","0.0002","9.1531","0.0004","41.7797","0.0019","90","","91.716","0.004","90","","2206.8","0.16","123","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N O6 -","- C21 H33 N O6 -","- C84 H132 N4 O24 -","4","1","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.5418","CuKα","","0.0553","0.0487","","","0.131","0.1395","","","","","","1.029","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1546005","9.4639","0.0003","6.1799","0.0002","13.1692","0.0005","90","","90.131","0.004","90","","770.21","0.05","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.5418","CuKα","","0.0601","0.0582","","","0.1493","0.1522","","","","","","1.09","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1546006","6.02696","0.00012","8.5237","0.00017","15.8573","0.0003","90","","90","","90","","814.62","0.03","123","0.1","123","0.1","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C30 H54 N2 O8 -","2","0.5","","Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver","Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.","Organic letters","2017","19","10","2754","2757","10.1021/acs.orglett.7b01111","","","1.54184","CuKα","","0.0308","0.0289","","","0.0757","0.0767","","","","","","1.031","","","","has coordinates,has disorder","204129","2020-10-21","18:00:00",""
"1546007","28.764","0.004","28.764","0.004","7.479","0.0011","90","","90","","120","","5358.9","1.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C252 H252 N36 O18 -","18","1","","Purkait, Anisha; Roy, Subhra Kanti; Srivastava, Hemant Kumar; Jana, Chandan K.","Metal-Free Sequential C(sp2)‒H/OH and C(sp3)‒H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00832","","","0.71073","MoKα","","0.2253","0.0585","","","0.0717","0.0929","","","","","","1.084","","","","has coordinates","196601","2020-10-21","18:00:00",""
"1546008","20.986","0.004","22.422","0.004","7.9388","0.0015","90","","103.263","0.003","90","","3635.9","1.2","100","","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H50 S2 -","- C45 H50 S2 -","- C180 H200 S8 -","4","0.5","","Mitsudo, Koichi; Tanaka, Seiichi; Isobuchi, Ryota; Inada, Tomohiro; Mandai, Hiroki; Korenaga, Toshinobu; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji","Rh-Catalyzed Dehydrogenative Cyclization Leading to Benzosilolothiophene Derivatives via Si‒H/C‒H Bond Cleavage","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00878","","","0.71075","MoKα","","0.0545","0.0408","","","0.0977","0.1052","","","","","","1.096","","","","has coordinates,has disorder","196602","2020-10-21","18:00:00",""
"1546009","15.183","0.004","6.7949","0.0018","16.513","0.004","90","","92.37","0.003","90","","1702.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Krieger, Jean-Philippe; Lesuisse, Dominique; Ricci, Gino; Perrin, Marc-Antoine; Meyer, Christophe; Cossy, Janine","Rhodium(III)-Catalyzed C-H Activation/Heterocyclization as a Macrocyclization Strategy. Synthesis of Macrocyclic Pyridones.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01051","","","0.71073","MoKα","","0.046","0.043","","","0.1241","0.1273","","","","","","1.078","","","","has coordinates","196618","2020-10-21","18:00:00",""
"1546010","13.452","0.005","9.374","0.003","19.421","0.007","90","","104.972","0.004","90","","2365.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O4 -","- C25 H27 Br N2 O4 -","- C100 H108 Br4 N8 O16 -","4","1","","Zhang, Kaifan; Xu, Xiaoying; Zheng, Jiuan; Yao, Hequan; Huang, Yue; Lin, Aijun","[3 + 3] Cycloaddition of in Situ Formed Azaoxyallyl Cations with 2-Alkenylindoles: An Approach to Tetrahydro-β-carbolinones.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00914","","","0.71073","MoKα","","0.0627","0.0369","","","0.0941","0.1044","","","","","","1.025","","","","has coordinates","196619","2020-10-21","18:00:00",""
"1546011","10.2888","0.0005","16.2882","0.001","13.248","0.0006","90","","91.491","0.005","90","","2219.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","","Meher, Niranjan; Iyer, Parameswar K.","Pendant chain engineering to fine-tune nanomorphology and solid state luminescence in naphthalimide AIEEgens: Application to phenolic nitro-explosive detection in water","Nanoscale","2017","","","","","10.1039/C7NR02174G","","","0.71073","MoKα","","0.1447","0.0799","","","0.2671","0.3323","","","","","","1.062","","","","has coordinates","196620","2020-10-21","18:00:00",""
"1546012","12.232","0.0012","12.7073","0.0015","17.15","0.002","90","","103.5","0.008","90","","2592.1","0.5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl I O4 -","- C12 H10 Cl I O4 -","- C96 H80 Cl8 I8 O32 -","8","2","LC5079","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0359","0.0227","","","0.0483","0.0538","","","","","","1.064","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546013","5.9721","0.0005","12.9442","0.0012","18.387","0.002","90","","96.195","0.012","90","","1413.1","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F6 I P -","- C12 H10 F6 I P -","- C48 H40 F24 I4 P4 -","4","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.035","0.0242","","","0.0581","0.0629","","","","","","1.03","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546014","11.7183","0.001","13.4322","0.0012","14.8978","0.0013","113.429","0.011","107.498","0.01","101.366","0.01","1913","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl2 F18 I2 O3 -","- C33 H22 Cl2 F18 I2 O3 -","- C66 H44 Cl4 F36 I4 O6 -","2","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0526","0.0309","","","0.0561","0.0621","","","","","","1.014","","","","has coordinates,has disorder","196623","2020-10-21","18:00:00",""
"1546015","15.4248","0.0007","15.4248","0.0007","15.4248","0.0007","90","","90","","90","","3669.9","0.3","103","2","103","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C36 H24 B0.5 Br5.5 F8 -","- C36 H24 B0.537 Br5.463 F8.144 -","- C144 H96 B2.148 Br21.852 F32.576 -","4","0.166667","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0434","0.0297","","","0.0516","0.054","","","","","","1.107","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546016","15.2905","0.0008","15.2905","0.0008","15.2905","0.0008","90","","90","","90","","3574.9","0.3","103","2","103","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 B Br3 Cl2 F10 -","- C36 H24 B Br3 Cl2 F10 -","- C144 H96 B4 Br12 Cl8 F40 -","4","0.166667","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0374","0.0246","","","0.0489","0.0517","","","","","","1.011","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546017","8.1574","0.0011","10.0848","0.0014","10.157","0.0016","89.158","0.005","72.819","0.004","66.607","0.005","727.64","0.19","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 B Br F4 O2 -","- C14 H12 B Br F4 O2 -","- C28 H24 B2 Br2 F8 O4 -","2","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0496","0.0338","","","0.0697","0.0745","","","","","","1.02","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546019","9.2535","0.0002","11.5385","0.0003","24.9217","0.0007","90","","90","","90","","2660.93","0.12","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O8 -","- C30 H38 O8 -","- C120 H152 O32 -","4","1","","Sriyatep, Teerayut; Andersen, Raymond J.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Seemakhan, Sawinee; Borwornpinyo, Suparerk; Laphookhieo, Surat","Scalemic Caged Xanthones Isolated from the Stem Bark Extract of Garcinia propinqua.","Journal of natural products","2017","80","5","1658","1667","10.1021/acs.jnatprod.7b00240","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0756","0.0767","","","","","","1.031","","","","has coordinates","197451","2020-10-21","18:00:00",""
"1546020","5.0478","0.0001","14.4096","0.0003","16.6991","0.0004","90","","90","","90","","1214.64","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.","Organic letters","2017","19","11","2925","2928","10.1021/acs.orglett.7b01160","","","1.54178","CuKα","","0.0411","0.0354","","","0.0909","0.0951","","","","","","1.027","","","","has coordinates","197501","2020-10-21","18:00:00",""
"1546021","7.5525","0.0002","19.9782","0.0005","8.7575","0.0002","90","","101.25","0.001","90","","1295.99","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.","Organic letters","2017","19","11","2925","2928","10.1021/acs.orglett.7b01160","","","1.54178","CuKα","","0.0399","0.0397","","","0.1249","0.1252","","","","","","1.037","","","","has coordinates","197501","2020-10-21","18:00:00",""
"1546022","12.578","0.003","22.365","0.005","12.644","0.003","90","","107.727","0.003","90","","3388","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 Br N2 O4 -","- C18 H15 Br N2 O4 -","- C144 H120 Br8 N16 O32 -","8","4","","Yang, Yu; Ren, Hong-Xia; Chen, Feng; Zhang, Zheng-Bing; Zou, Ying; Chen, Chao; Song, Xiang-Jia; Tian, Fang; Peng, Lin; Wang, Li-Xin","Organocatalytic Asymmetric Annulation between Hydroxymaleimides and Nitrosoarenes: Stereoselective Preparation of Chiral Quaternary N-Hydroxyindolines","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00893","","","0.71073","MoKα","","0.0686","0.0574","","","0.1402","0.1452","","","","","","1.028","","","","has coordinates","196661","2020-10-21","18:00:00",""
"1546023","10.3109","0.0003","16.7247","0.0004","7.4603","0.0002","90","","108.019","0.0015","90","","1223.4","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F5 N4 O -","- C11 H7 F5 N4 O -","- C44 H28 F20 N16 O4 -","4","1","","Cheung, Kelvin Pak Shing; Tsui, Gavin Chit","Copper(I)-Catalyzed Interrupted Click Reaction with TMSCF3: Synthesis of 5-Trifluoromethyl 1,2,3-Triazoles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01116","","","0.71073","MoKα","","0.0679","0.0509","","","0.1442","0.1606","","","","","","1.001","","","","has coordinates","196662","2020-10-21","18:00:00",""
"1546024","16.199","0.003","18.065","0.003","23.596","0.004","102.7","0.004","107.741","0.004","106.042","0.004","5961.7","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 F10 O4 P Pd S -","- C63 H74 F10 O4 P Pd S -","- C252 H296 F40 O16 P4 Pd4 S4 -","4","2","","Ingoglia, Bryan T.; Buchwald, Stephen L.","Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands.","Organic letters","2017","19","11","2853","2856","10.1021/acs.orglett.7b01082","","","0.71073","MoKα","","0.1272","0.0777","","","0.2037","0.2399","","","","","","1.044","","","","has coordinates,has disorder","197510","2020-10-21","18:00:00",""
"1546031","10.0738","0.0019","7.7949","0.0015","20.89","0.004","90","","99.429","0.004","90","","1618.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Long, Jinguo; Cao, Xin; Zhu, Longzhi; Qiu, Renhua; Au, Chak-Tong; Yin, Shuang-Feng; Iwasaki, Takanori; Kambe, Nobuaki","Intramolecular, Site-Selective, Iodine-Mediated, Amination of Unactivated (sp(3))C-H Bonds for the Synthesis of Indoline Derivatives.","Organic letters","2017","19","11","2793","2796","10.1021/acs.orglett.7b00846","","","0.71073","MoKα","","0.0994","0.0511","","","0.1309","0.1513","","","","","","1.031","","","","has coordinates","197502","2020-10-21","18:00:00",""
"1546032","12.7471","0.0007","12.3553","0.0006","15.5929","0.0011","90","","101.189","0.006","90","","2409.1","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O4 S2 -","- C26 H26 N2 O4 S2 -","- C104 H104 N8 O16 S8 -","4","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0719","0.0472","","","0.1086","0.1246","","","","","","1.032","","","","has coordinates","197511","2020-10-21","18:00:00",""
"1546033","8.1304","0.0004","12.3569","0.0007","12.7925","0.0007","82.084","0.004","86.551","0.004","72.325","0.004","1212.65","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O4 S2 -","- C27 H28 N2 O4 S2 -","- C54 H56 N4 O8 S4 -","2","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0617","0.0448","","","0.1145","0.1274","","","","","","1.026","","","","has coordinates","197511","2020-10-21","18:00:00",""
"1546038","9.9187","0.001","11.151","0.011","15.866","0.015","73.63","0.05","73.24","0.05","67.98","0.04","1528","2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 P2 S2 -","- C32 H38 P2 S2 -","- C64 H76 P4 S4 -","2","1","","Okugawa, Yuto; Hirano, Koji; Miura, Masahiro","Brønsted Base Mediated Stereoselective Diphosphination of Terminal Alkynes with Diphosphanes","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01209","","","0.71075","MoKα","","0.0511","0.042","","","0.0944","0.1026","","","","","","1.113","","","","has coordinates","196696","2020-10-21","18:00:00",""
"1546039","27.6554","0.0005","26.5185","0.0005","26.1889","0.0005","90","","94.414","0.001","90","","19149.4","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ring","","- C94.67 H110.34 O17.84 -","- C94.672 H110.344 O17.836 -","- C757.376 H882.752 O142.688 -","8","2","","Hayase, Norihiko; Miyauchi, Yuta; Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Synthesis of [8]Cycloparaphenylene-octacarboxylates via Rh-Catalyzed Stepwise Cross-Alkyne Cyclotrimerization","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01231","","","1.54186","CuKα","","0.0841","0.0676","","","0.2138","0.2326","","","","","","1.115","","","","has coordinates,has disorder","196697","2020-10-21","18:00:00",""
"1546040","12.6926","0.0001","21.4026","0.0002","47.9632","0.0003","90","","90","","90","","13029.4","0.18","100.9","0.6","100.9","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 N4 O5 Si2 -","- C37 H68 N4 O5 Si2 -","- C444 H816 N48 O60 Si24 -","12","3","","Fanelli, Roberto; Berthomieu, Dorothée; Didierjean, Claude; Doudouh, Abdelatif; Lebrun, Aurélien; Martinez, Jean; Cavelier, Florine","Hydrophobic α,α-Disubstituted Disilylated TESDpg Induces Incipient 310-Helix in Short Tripeptide Sequence","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01172","","","1.54184","CuKα","","0.0381","0.0357","","","0.0909","0.094","","","","","","1.06","","","","has coordinates,has disorder","196698","2020-10-21","18:00:00",""
"1546041","11.6963","0.0015","7.8375","0.001","18.213","0.002","90","","96.443","0.002","90","","1659","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C72 H72 Cl4 N12 O4 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0693","0.0464","","","0.0871","0.0972","","","","","","1.014","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546042","11.1006","0.0017","6.9951","0.001","30.827","0.005","90","","94.93","0.003","90","","2384.9","0.6","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 B2 Br O4 -","- C22 H31 B2 Br O4 -","- C88 H124 B8 Br4 O16 -","4","2","","Tang, Wenjun; Liu, Jiawang; Nie, Ming; Zhou, Qing-Hai; Gao, Shen; Jiang, Wenhao; Chung, Lung Wa; Ding, Kuiling","Enantioselective Palladium-Catalyzed Diboration of 1,1-Disubstituted Allenes","Chem. Sci.","2017","","","","","10.1039/C7SC01254C","","","0.71073","MoKα","","0.0995","0.0494","","","0.0935","0.1093","","","","","","0.944","","","","has coordinates","196710","2020-10-21","18:00:00",""
"1546043","24.72245","0.00042","5.994222","0.00009","14.31013","0.00041","90","","90","","90","","2120.64","0.08","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","7.83","2.054","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546044","16.78223","0.00033","5.92141","0.00013","13.85224","0.00055","90","","90","","90","","1376.56","0.07","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","3.76","1.354","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546045","17.06176","0.00086","6.03613","0.00038","13.9083","0.0016","90","","90","","90","","1432.4","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","2.19","2.26","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546046","24.27024","0.00027","5.92062","0.000065","14.18934","0.00027","90","","90","","90","","2038.94","0.05","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","4.05","1.387","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546047","4.86771","0.00038","6.88178","0.00058","20.8508","0.0011","90","","90","","90","","698.47","0.09","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","4.31","1.765","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546048","3.97954","0.00016","15.2907","0.0003","5.8583","0.0002","90","","94.237","0.005","90","","355.5","0.02","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.410639","","","","","","","","","","11.96","1.49","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546049","13.5539","0.0008","5.4096","0.0003","15.0157","0.0009","90","","108.421","0.006","90","","1044.56","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chlorophenylalanine","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","1.54184","CuKα","","0.0726","0.0685","","","0.164","0.1687","","","","","","1.076","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546050","13.1","0.003","5.4019","0.0012","14.423","0.004","90","","100.712","0.008","90","","1002.9","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-difluoro-phenylalanine","","- C9 H11 F2 N O3 -","- C9 H11 F2 N O3 -","- C36 H44 F8 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0831","0.0452","","","0.0787","0.0894","","","","","","1.03","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546051","6.3036","0.0004","5.3042","0.0003","15.9161","0.0009","90","","97.947","0.003","90","","527.05","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromophenylalanine","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C18 H24 Br2 N2 O6 -","2","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0206","0.0183","","","0.0388","0.0392","","","","","","1","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546052","13.3028","0.0014","5.4628","0.0006","14.0151","0.0015","90","","104.048","0.005","90","","988.02","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-fluorophenylalanine","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0366","0.0324","","","0.0819","0.0844","","","","","","1.031","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546053","5.3139","0.0003","6.3152","0.0004","32.741","0.002","90","","90","","90","","1098.73","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Iodophenylalanine","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0455","0.0451","","","0.1057","0.1059","","","","","","1.321","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546054","9.2035","0.0005","11.3936","0.0007","18.5083","0.0018","90","","103.339","0.006","90","","1888.4","0.2","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Br2 I6 N4 Ru -","- C20 H36 Br2 I6 N4 Ru -","- C40 H72 Br4 I12 N8 Ru2 -","2","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0698","0.0513","","","0.147","0.1602","","","","","","1.082","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546055","13.906","0.001","13.906","0.001","8.6877","0.0003","90","","90","","90","","1680","0.18","200","2","200","2","","","","","","","synthesis as described","5","P 4 n c","P 4 -2n","104","","","","- C36 H36 Cl2 N4 Ru -","- C36 H36 Cl2 N4 Ru -","- C72 H72 Cl4 N8 Ru2 -","2","0.25","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0699","0.0336","","","0.0695","0.0873","","","","","","0.923","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546056","9.563","0.0006","10.473","0.004","10.744","0.001","67.46","0.005","79.07","0.006","74.903","0.005","954.7","0.4","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Br2 I2 N4 Ru -","- C36 H36 Br2 I2 N4 Ru -","- C36 H36 Br2 I2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0843","0.0511","","","0.1478","0.1635","","","","","","1.06","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546057","9.789","0.0016","11.319","0.0006","17.303","0.0018","89.362","0.007","76.377","0.007","85.007","0.009","1856.1","0.4","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H36 Br4 N4 Ru -","- C36 H36 Br4 N4 Ru -","- C72 H72 Br8 N8 Ru2 -","2","1","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.1021","0.0764","","","0.2382","0.2593","","","","","","1.053","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546058","11.3121","0.0017","11.3121","0.0017","13.6918","0.001","90","","90","","90","","1752.1","0.4","200","2","200","2","","","","","","","synthesis as described","5","P 42/m n m","-P 4n 2n","136","","","","- C20 H36 Br6 N4 Ru -","- C20 H36 Br6 N4 Ru -","- C40 H72 Br12 N8 Ru2 -","2","0.125","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0791","0.0595","","","0.1546","0.1717","","","","","","1.082","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546059","9.616","0.001","10.4083","0.0005","11.1012","0.0008","68.06","0.006","78.128","0.007","72.29","0.005","976.42","0.14","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H36 I4 N4 Ru -","- C36 H36 I4 N4 Ru -","- C36 H36 I4 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0693","0.0387","","","0.0927","0.104","","","","","","1.021","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546060","7.918","0.0009","10.314","0.0006","13.411","0.001","92.609","0.007","100.426","0.009","102.641","0.005","1046.89","0.16","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Cl2.17 I3.83 N4 Ru -","- C36 H36 Cl2.172 I3.828 N4 Ru -","- C36 H36 Cl2.172 I3.828 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.082","0.0458","","","0.1147","0.1258","","","","","","1.051","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546061","9.5548","0.0018","10.4967","0.0006","10.5869","0.0012","67.342","0.009","80.018","0.012","75.957","0.009","946.8","0.2","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Cl2 I2 N4 Ru -","- C36 H36 Cl2 I2 N4 Ru -","- C36 H36 Cl2 I2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0784","0.0522","","","0.1516","0.1693","","","","","","1.021","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546062","9.567","0.001","10.4897","0.0006","10.691","0.001","67.358","0.007","79.414","0.01","75.292","0.007","953.31","0.15","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Br2 Cl2 N4 Ru -","- C36 H36 Br2 Cl2 N4 Ru -","- C36 H36 Br2 Cl2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.1295","0.1005","","","0.333","0.3693","","","","","","1.543","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546063","16.5219","0.0008","13.6105","0.001","17.4958","0.001","90","","116.603","0.004","90","","3517.8","0.4","200","2","200","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Br2 N4 O Ru -","- C36 H38 Br2 N4 O Ru -","- C144 H152 Br8 N16 O4 Ru4 -","4","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0875","0.0594","","","0.1646","0.1803","","","","","","1.046","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546064","10.8205","0.0009","10.0771","0.0005","18.3892","0.0014","90","","104.044","0.008","90","","1945.2","0.2","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 I8 N4 Ru -","- C20 H36 I8 N4 Ru -","- C40 H72 I16 N8 Ru2 -","2","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0851","0.056","","","0.1657","0.1845","","","","","","1.079","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546065","16.6612","0.0017","9.776","0.0008","18.368","0.002","90","","115.466","0.008","90","","2701.1","0.5","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Br2 N4 Ru -","- C20 H36 Br2 N4 Ru -","- C80 H144 Br8 N16 Ru4 -","4","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.061","0.0395","","","0.0845","0.094","","","","","","0.914","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546066","11.15632","0.00015","11.63305","0.00016","22.483","0.0003","90","","102.758","0.0013","90","","2845.85","0.07","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 B Cl2 Cu F4 N6 -","- C25 H24 B Cl2 Cu F4 N6 -","- C100 H96 B4 Cl8 Cu4 F16 N24 -","4","1","","Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi","New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference","Polym. Chem.","2017","","","","","10.1039/C7PY00726D","","x-ray","1.54184","CuKα","","0.0481","0.0437","","","0.1208","0.1254","","","","","","1.043","","","","has coordinates","196751","2020-10-21","18:00:00",""
"1546067","12.3268","0.0003","21.2128","0.0005","19.3122","0.0005","90","","104.764","0.003","90","","4883.1","0.2","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 B Cu F4 N3 O2 P2 -","- C52 H49 B Cu F4 N3 O2 P2 -","- C208 H196 B4 Cu4 F16 N12 O8 P8 -","4","1","","Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi","New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference","Polym. Chem.","2017","","","","","10.1039/C7PY00726D","","x-ray","0.71073","MoKα","","0.0797","0.0574","","","0.1496","0.165","","","","","","1.015","","","","has coordinates,has disorder","196751","2020-10-21","18:00:00",""
"1546068","13.8163","0.0005","18.0472","0.0005","18.3229","0.0006","79.946","0.003","89.601","0.003","82.37","0.003","4458.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H90 B Cl6 O Os P3 -","- C109 H90 B Cl6 O Os P3 -","- C218 H180 B2 Cl12 O2 Os2 P6 -","2","1","","He, Xumin; He, Xiehua; Li, Shenyan; Zhuo, Kaiyue; Qin, Weixiang; Dong, Shuyu; Chen, Jiangxi; Ren, Lei; Liu, Gang; Xia, Haiping","Amphipathic Metal-Containing Macromolecules with Photothermal Properties","Polym. Chem.","2017","","","","","10.1039/C7PY00641A","","","1.54184","CuKα","","0.0397","0.0358","","","0.0887","0.0917","","","","","","1.029","","","","has coordinates,has disorder","196752","2020-10-21","18:00:00",""
"1546069","9.11756","0.0001","21.6446","0.0002","17.9917","0.0002","90","","98.128","0.001","90","","3514.92","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 N11 O13 -","- C24 H43.6 N11 O13 -","- C96 H174.4 N44 O52 -","4","1","","Marafon, Giulia; Menegazzo, Ileana; De Zotti, Marta; Crisma, Marco; Toniolo, Claudio; Moretto, Alessandro","Tuning morphological architectures generated through living supramolecular assembly of a helical foldamer end-capped with two complementary nucleobases.","Soft matter","2017","","","","","10.1039/c7sm00764g","","","1.54178","CuKα","","0.0649","0.0565","","","0.1647","0.1744","","","","","","1.035","","","","has coordinates","196757","2020-10-21","18:00:00",""
"1546070","10.7942","0.0005","18.8139","0.0006","16.8871","0.0008","90","","98.486","0.004","90","","3391.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 N6 O8 -","- C31 H46 N6 O8 -","- C124 H184 N24 O32 -","4","1","","Marafon, Giulia; Menegazzo, Ileana; De Zotti, Marta; Crisma, Marco; Toniolo, Claudio; Moretto, Alessandro","Tuning morphological architectures generated through living supramolecular assembly of a helical foldamer end-capped with two complementary nucleobases.","Soft matter","2017","","","","","10.1039/c7sm00764g","","","1.54178","CuKα","","0.0788","0.0614","","","0.1748","0.1939","","","","","","1.037","","","","has coordinates,has disorder","196757","2020-10-21","18:00:00",""
"1546072","13.939","0.002","11.8628","0.0016","12.342","0.002","90","","105.579","0.018","90","","1965.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O4 S -","- C23 H18 O4 S -","- C92 H72 O16 S4 -","4","1","","Wu, Wanqing; Yi, Songjian; Huang, Wei; Luo, Di; Jiang, Huanfeng","Ag-Catalyzed Oxidative Cyclization Reaction of 1,6-Enynes and Sodium Sulfinate: Access to Sulfonylated Benzofurans.","Organic letters","2017","19","11","2825","2828","10.1021/acs.orglett.7b00980","","","0.71","synchrotron","","0.0693","0.0431","","","0.0935","0.1066","","","","","","1.0608","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546073","9.6711","0.0006","19.4443","0.0014","11.2024","0.0007","90","","95.091","0.006","90","","2098.3","0.2","292.13","0.1","292.13","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.7107","MoKα","","0.204","0.0758","","","0.1386","0.1956","","","","","","1.001","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546074","25.91","0.02","11.234","0.009","17.776","0.014","90","","126.13","0.007","90","","4179","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C192 H200 N8 O32 -","8","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.0953","0.0482","","","0.1129","0.1405","","","","","","1.023","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546075","8.4092","0.0011","18.977","0.002","21.008","0.003","90","","92.133","0.012","90","","3350.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","2","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.2311","0.0995","","","0.2197","0.2904","","","","","","1.027","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546076","7.5258","0.0004","11.7781","0.0005","12.4974","0.0006","80.639","0.004","77.851","0.004","78.666","0.004","1053.3","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","1.54184","CuKα","","0.0576","0.0529","","","0.146","0.1528","","","","","","1.035","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546077","10.1412","0.0016","18.601","0.004","11.3292","0.0016","90","","91.857","0.014","90","","2136","0.6","292.11","0.1","292.11","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br N O5 -","- C24 H22 Br N O5 -","- C96 H88 Br4 N4 O20 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.7107","MoKα","","0.1809","0.0773","","","0.1765","0.2735","","","","","","1.005","","","","has coordinates","197514","2020-10-21","18:00:00",""
"1546078","11.0551","0.0005","16.7135","0.0007","16.0419","0.0007","90","","90.679","0.001","90","","2963.8","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N2 O2 S -","- C38 H30 N2 O2 S -","- C152 H120 N8 O8 S4 -","4","1","","Shin, Jinhwan; Lee, Jiyoun; Ko, Donguk; De, Nirupam; Yoo, Eun Jeong","Synthesis of Fused Polycyclic 1,4-Benzodiazepines via Metal-Free Cascade [5 + 2]/[2 + 2] Cycloadditions.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01137","","","0.71073","MoKα","","0.1301","0.0922","","","0.2514","0.3164","","","","","","1.125","","","","has coordinates","196797","2020-10-21","18:00:00",""
"1546079","7.611","0.002","11.49","0.003","11.506","0.003","105.352","0.009","94.19","0.009","109.278","0.008","901.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin","Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation.","Organic letters","2017","19","11","3017","3020","10.1021/acs.orglett.7b01303","","","0.71073","MoKα","","0.0661","0.0468","","","0.1034","0.1114","","","","","","1.038","","","","has coordinates","197509","2020-10-21","18:00:00",""
"1546080","12.8153","0.0016","12.8153","0.0016","38.817","0.005","90","","90","","120","","5520.9","1.2","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C56 H48 Br6 Fe2 N8 O16 Zn3 -","- C168 H144 Br18 Fe6 N24 O48 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0409","0.0379","","","0.1091","0.1104","","","","","","1.04","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546081","13.2429","0.001","13.2429","0.001","38.38","0.003","90","","90","","120","","5829.1","0.8","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C56 H48 Br6 Cr2 N6 O14 Zn3 -","- C168 H144 Br18 Cr6 N18 O42 Zn9 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0605","0.0512","","","0.1432","0.1521","","","","","","0.971","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546082","12.7708","0.0005","12.7708","0.0005","39.0709","0.0012","90","","90","","120","","5518.5","0.3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C54 H48 Cl6 Co3 Fe2 N6 O12 -","- C162 H144 Cl18 Co9 Fe6 N18 O36 -","3","0.5","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","","0.71075","MoKα","","0.0887","0.0732","","","0.2109","0.2322","","","","","","1.02","","","","has coordinates","196811","2020-10-21","18:00:00",""
"1546083","18.4407","0.0009","22.0037","0.0009","27.1925","0.001","104.146","0.003","109.298","0.004","95.522","0.004","9907.3","0.8","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C158 H194 Cr2 F18 N6 O47 P6 Pd3 S6 -","- C137 H126 Cr2 F6 N6 O18 P6 Pd3 S2 -","- C274 H252 Cr4 F12 N12 O36 P12 Pd6 S4 -","2","1","","Brechin, Euan K.; Sanz, Sergio; O'Connor, Helen; Martí-Centelles, Vicente; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; Lorusso, Giulia; Palacios, Elias; Evangelisti, Marco; Baldansuren, Amgalanbaatar; Chilton, Nicholas F.; Weihe, Høgni; McInnes, Eric J. L.; Lusby, Paul; Piligkos, Stergios","[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands.","Chem. Sci.","2017","","","","","10.1039/C7SC00487G","","x-ray","1.54184","CuKα","","0.105","0.0806","","","0.2197","0.2423","","","","","","1.037","","","","has coordinates,has disorder","196811","2020-10-21","18:00:00",""
"1546084","11.014","0.003","13.291","0.004","13.869","0.005","90","","90","","90","","2030.2","1.1","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","","Zhao, Jinlian; Feng, Jiamin; Tan, Zhen; Liu, Jimei; Zhao, Jianyuan; Chen, Ridao; Xie, Kebo; Zhang, Dewu; Li, Yan; Yu, Liyan; Chen, Xiaoguang; Dai, Jungui","Stachybotrysins A‒G, Phenylspirodrimane Derivatives from the Fungus Stachybotrys chartarum","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00014","","","1.54178","CuKα","","0.0837","0.0733","","","0.1881","0.2019","","","","","","1.082","","","","has coordinates","196825","2020-10-21","18:00:00",""
"1546085","7.0338","0.0001","11.9216","0.0002","24.1813","0.0017","90","","91.725","0.007","90","","2026.78","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Zheng, Nan; Zhang, Lijie; Gong, Jianxian; Yang, Zhen","Formal Total Synthesis of (±)-Lycojaponicumin C","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01154","","","1.54178","CuKα","","0.0694","0.0637","","","0.1706","0.1799","","","","","","1.078","","","","has coordinates","196828","2020-10-21","18:00:00",""
"1546086","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.","Organic letters","2017","19","11","2997","3000","10.1021/acs.orglett.7b01232","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","197503","2020-10-21","18:00:00",""
"1546087","9.73","0.002","10.167","0.002","21.994","0.006","90","","90","","90","","2175.8","0.9","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C88 H96 Br4 N4 O12 S4 -","4","1","","Ueda, Hiroki; Masutomi, Koji; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cyclization of 1,6-Enynes with Aliphatic and Aromatic Alkenes.","Organic letters","2017","19","11","2913","2916","10.1021/acs.orglett.7b01149","","x-ray","0.71073","MoKα","","0.1496","0.0731","","","0.1767","0.2087","","","","","","1.018","","","","has coordinates","197505","2020-10-21","18:00:00",""
"1546088","8.332","0.002","16.762","0.004","18.465","0.005","114.14","0.003","92.762","0.003","92.985","0.003","2343.3","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H43 B Cl3 F2 N3 O8 -","- C53 H43 B Cl3 F2 N3 O8 -","- C106 H86 B2 Cl6 F4 N6 O16 -","2","1","","Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian","Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes.","Organic letters","2017","19","11","2893","2896","10.1021/acs.orglett.7b01133","","","0.71073","MoKα","","0.086","0.0665","","","0.1817","0.1999","","","","","","1.063","","","","has coordinates,has disorder","197512","2020-10-21","18:00:00",""
"1546089","12.926","0.008","11.204","0.007","19.694","0.009","90","","123","0.03","90","","2392","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C52.5 H47 B Cl F2 N3 O8 -","- C52.5 H47 B Cl F2 N3 O8 -","- C105 H94 B2 Cl2 F4 N6 O16 -","2","0.5","","Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian","Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes.","Organic letters","2017","19","11","2893","2896","10.1021/acs.orglett.7b01133","","","0.71073","MoKα","","0.2169","0.0996","","","0.2177","0.273","","","","","","1.021","","","","has coordinates,has disorder","197512","2020-10-21","18:00:00",""
"1546090","25.0308","0.001","15.3288","0.0006","19.941","0.0008","90","","93.983","0.001","90","","7632.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C130 H56 N4 Ni S0 U -","- C130 H56 N4 Ni U0.9994 -","- C520 H224 N16 Ni4 U3.9976 -","4","0.5","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.0977","0.0779","","","0.2194","0.229","","","","","","1.691","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546091","25.102","0.003","14.9208","0.0019","38.636","0.005","90","","94.044","0.002","90","","14435","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H56 N4 Ni U -","- C122 H56 N4 Ni U0.9994 -","- C976 H448 N32 Ni8 U7.9952 -","8","1","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.1705","0.1247","","","0.3214","0.3355","","","","","","1.813","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546092","17.7846","0.0005","17.2807","0.0005","26.6533","0.0007","90","","107.376","0.001","90","","7817.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H53 N4 Ni S2 U -","- C128 H53 N4 Ni S2 U0.9999 -","- C512 H212 N16 Ni4 S8 U3.9996 -","4","1","","Cai, Wenting; Morales-Martínez, Roser; Zhang, Xingxing; Najera, Daniel; Romero, Elkin; Metta Magana, Alejandro Jose; Rodriguez-Fortea, Antonio; Fortier, Skye; Chen, Ning; Poblet, Josep M.; Echegoyen, Luis","Single Crystal Structures and Theoretical Calculations of Uranium Endohedral Metallofullerenes (U@C2n, 2n=74, 82) Show Cage Isomer Dependent Oxidation States for U","Chem. Sci.","2017","","","","","10.1039/C7SC01711A","","","0.71073","MoKα","","0.1324","0.0987","","","0.2627","0.2849","","","","","","1.737","","","","has coordinates,has disorder","196888","2020-10-21","18:00:00",""
"1546093","24.2286","0.0011","5.6429","0.0002","7.6125","0.0003","90","","90","","90","","1040.78","0.07","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","PC","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin","Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on","The Journal of Physical Chemistry C","2017","121","21","11907","","10.1021/acs.jpcc.7b02797","","","0.71073","MoKa","","0.066","0.0518","","","0.1445","0.1547","","","","","","1.173","","","","has coordinates","197472","2020-10-21","18:00:00",""
"1546094","9.8947","0.0003","8.25","0.0003","12.8004","0.0004","90","","110.44","0.001","90","","979.12","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang","Transfer of Chirality in the Rhodium-Catalyzed Chemoselective and Regioselective Allylic Alkylation of Hydroxyarenes with Vinyl Aziridines.","Organic letters","2017","19","11","2897","2900","10.1021/acs.orglett.7b01136","","","0.71073","MoKα","","0.0415","0.0347","","","0.0861","0.0906","","","","","","1.018","","","","has coordinates","197499","2020-10-21","18:00:00",""
"1546095","9.9619","0.0004","24.0179","0.001","15.5925","0.0006","90","","101.3","0.0016","90","","3658.4","0.3","180","","180","","","","101","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H49 N O4 -","- C42 H49 N O4 -","- C168 H196 N4 O16 -","4","2","","Tlustý, Martin; Slavík, Petr; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Inherently Chiral Upper-Rim-Bridged Calix[4]arenes Possessing a Seven Membered Ring.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01170","","","1.54178","CuKα","","0.0384","0.0375","","0.0896","0.0886","0.0896","","","","","","0.8561","","","","has coordinates,has disorder","196908","2020-10-21","18:00:00",""
"1546096","8.3201","0.0002","7.3604","0.0002","14.5839","0.0003","90","","105.938","0.002","90","","858.78","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Kumar, Mukesh; Chauhan, Pankaj; Valkonen, Arto; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Functionalized Tricyclic Chromanes via an Organocatalytic Triple Domino Reaction.","Organic letters","2017","19","11","3025","3028","10.1021/acs.orglett.7b01322","","","1.54184","CuKα","","0.0327","0.031","","","0.075","0.0766","","","","","","1.053","","","","has coordinates","197504","2020-10-21","18:00:00",""
"1546097","15.0424","0.0012","9.1167","0.0007","42.181","0.003","90","","96.995","0.001","90","","5741.5","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F6 N O2 -","- C14 H13 F6 N O2 -","- C224 H208 F96 N16 O32 -","16","4","","Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A.","Trifluoromethylation of Secondary Nitroalkanes.","Organic letters","2017","19","11","2957","2960","10.1021/acs.orglett.7b01196","","","0.71073","MoKα","","0.0884","0.0592","","","0.1374","0.1533","","","","","","1.05","","","","has coordinates","197506","2020-10-21","18:00:00",""
"1546098","18.6492","0.0019","18.6492","0.0019","12.5645","0.0015","90","","90","","120","","3784.4","0.7","298","2","298","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","1","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0312","0.0306","","","0.083","0.0837","","","","","","1.043","","","","has coordinates","197507","2020-10-21","18:00:00",""
"1546099","17.1874","0.0008","17.1874","0.0008","42.085","0.002","90","","90","","120","","10766.6","0.9","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H36 O11 -","- C20 H36 O11 -","- C360 H648 O198 -","18","3","","Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui","Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.","Organic letters","2017","19","11","3029","3032","10.1021/acs.orglett.7b01323","","","1.54178","CuKα","","0.0633","0.0607","","","0.1674","0.1709","","","","","","1.018","","","","has coordinates,has disorder","197507","2020-10-21","18:00:00",""
"1546100","11.3928","0.0003","15.6359","0.0005","16.3018","0.0006","90","","96.451","0.003","90","","2885.56","0.16","102.9","0.3","102.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","Zn(A-ip)(bipy)","","- C21 H16 N2 O5 Zn -","- C21 H16 N2 O5 Zn -","- C84 H64 N8 O20 Zn4 -","4","1","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.0583","0.0545","","","0.1597","0.164","","","","","","1.102","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1546101","16.496","0.0007","15.8918","0.0006","11.4039","0.0004","90","","90","","90","","2989.5","0.2","240","0.14","240","0.14","","","","","","","","5","P b a m","-P 2 2ab","55","2","Zn(P-ip)(bipy)","","- C21 H18 N2 O5 Zn -","- C21.014 H11.008 N2 O5.004 Zn -","- C84.056 H44.032 N8 O20.016 Zn4 -","4","0.5","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.0797","0.0715","","","0.2113","0.2185","","","","","","1.095","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1546102","9.9902","0.0004","11.4259","0.0004","12.1064","0.0005","109.285","0.003","108.208","0.004","97.69","0.003","1194.98","0.1","106.3","0.5","106.3","0.5","","","","","","","","5","P -1","-P 1","2","2_CID","Zn(P-ip)(bipy)_CID","","- C21 H18 N2 O5 Zn -","- C21 H18 N2 O5 Zn -","- C42 H36 N4 O10 Zn2 -","2","1","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.0332","0.0309","","","0.0846","0.0864","","","","","","1.086","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1546103","10.0944","0.0003","10.3898","0.0002","10.493","0.0003","65.925","0.002","75.649","0.002","76.069","0.002","961.2","0.05","111","2","111","2","","","","","","","","5","P -1","-P 1","2","1","Zn(E-ip)(bipy)","","- C20 H16 N2 O5 Zn -","- C20 H16 N2 O5 Zn -","- C40 H32 N4 O10 Zn2 -","2","1","","Schneemann, Andreas; Rudolf, Robin; Henke, Sebastian; Takahashi, Yukiko; Banh, Hung; Hante, Inke; Schneider, Christian; Noro, Shin-ichiro; Fischer, Roland A.","Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks","Dalton Transactions","2017","46","25","8198","8203","10.1039/C7DT01195D","","x-ray","1.54184","CuKα","","0.025","0.0234","","","0.0598","0.0608","","","","","","1.055","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1546104","10.8019","0.0016","11.2323","0.0015","15.296","0.002","73.963","0.006","79.565","0.005","73.194","0.004","1697.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H51.5 La N3 O19.75 -","- C21 H51.498 La N3 O19.749 -","- C42 H102.996 La2 N6 O39.498 -","2","1","","Weekes, David M.; Cawthray, Jacqueline F.; Rieder, Meghanne; Syeda, Jaweria; Ali, Munawar; Wasan, Ellen; Kostelnik, Tom Kostelnik; Patrick, Brian O.; Panahifar, A.; Cooper, David M.L.; Al-Dissi, Ahmad; Wasan, Kishor; Orvig, Chris","La(III) biodistribution profiles from intravenous and oral dosing of two lanthanum complexes, La(dpp)3 and La(XT), and evaluation as treatments for bone resorption disorders","Metallomics","2017","","","","","10.1039/C7MT00133A","","x-ray","0.71073","MoKα","","0.0418","0.0353","","","0.0744","0.08","","","","","","1.155","","","","has coordinates,has disorder","196930","2020-10-21","18:00:00",""
"1546106","21.2016","0.0013","21.2016","0.0013","7.9468","0.0005","90","","90","","90","","3572.1","0.4","210","2","210","2","","","","","","","","4","P -4 21 c","P -4 2n","114","NB-078-023","","","- C17 H27 N O3.5 -","- C17 H27 N O3.5 -","- C136 H216 N8 O28 -","8","1","","Shymanska, Nataliia V.; Pierce, Joshua G.","Stereoselective Synthesis of Quaternary Pyrrolidine-2,3-diones and β-Amino Acids.","Organic letters","2017","19","11","2961","2964","10.1021/acs.orglett.7b01185","","","0.71073","MoKα","","0.0736","0.0582","","","0.1486","0.1583","","","","","","1.085","","","","has coordinates","197500","2020-10-21","18:00:00",""
"1546107","9.3051","0.0001","12.8967","0.0001","23.172","0.0001","90","","90","","90","","2780.76","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 O5 -","- C32 H42 O5 -","- C128 H168 O20 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Yin, Yong; Luo, Jian-Guang; Kong, Ling-Yi","Xylopiana A, a Dimeric Guaiane with a Case-Shaped Core from Xylopia vielana: Structural Elucidation and Biomimetic Conversion.","Organic letters","2017","19","11","3013","3016","10.1021/acs.orglett.7b01276","","","1.54184","CuKα","","0.0334","0.0329","","","0.0952","0.0957","","","","","","1.048","","","","has coordinates","197508","2020-10-21","18:00:00",""
"1546108","10.294","0.002","10.7033","0.0019","12.376","0.002","69.312","0.006","79.586","0.008","66.46","0.006","1168.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.126","0.0641","","","0.1185","0.1408","","","","","","1.054","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546109","13.9065","0.0011","13.9065","0.0011","6.0548","0.0005","90","","90","","120","","1014.07","0.14","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C48 H45 N3 O9 -","3","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.0351","0.0295","","","0.0778","0.102","","","","","","1.205","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546110","16.42","0.002","5.9044","0.0008","25.212","0.003","90","","90.487","0.004","90","","2444.2","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","2","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2885","0.2542","","","0.5938","0.6117","","","","","","2.629","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546111","8.48","0.007","5.698","0.004","15.656","0.013","90","","93.2","0.05","90","","755.3","1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei","Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions","Chem. Sci.","2017","","","","","10.1039/C7SC01770G","","","0.71073","MoKα","","0.2549","0.1803","","","0.4062","0.4474","","","","","","1.213","","","","has coordinates","196954","2020-10-21","18:00:00",""
"1546112","33.1101","0.0012","8.5492","0.0003","16.653","0.0006","90","","99.906","0.003","90","","4643.6","0.3","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H24 N4 O2 -","- C27 H15.5 N4 O2 -","- C216 H124 N32 O16 -","8","2","","Basu Roy, Sohini; Prodhan, Chandraday; Chaudhuri, Keya; Rajak, Kajal Krishna","A benzimidazole-based chemodosimeter for the fluorometric detection of Zn and Cu via 1,5 proton shifts and C‒N bond cleavage","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00059F","","","0.71073","MoKα","","0.1065","0.0895","","","0.2428","0.2664","","","","","","1.065","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546113","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0371","0.0298","","","0.0792","0.0835","","","","","","1.124","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546114","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.102","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546115","10.9323","0.0007","14.5698","0.001","21.091","0.0014","90","","90","","90","","3359.4","0.4","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0326","0.0238","","","0.0839","0.0904","","","","","","1.106","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546116","10.932","0.002","14.57","0.002","21.091","0.003","90","","90","","90","","3359.4","0.9","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.204","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546117","12.5744","0.0005","15.5222","0.0007","19.5052","0.0008","88.259","0.001","81.988","0.001","89.388","0.002","3768.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H53 B10 O2 P3 Ru -","- C32 H53 B10 O2 P3 Ru -","- C128 H212 B40 O8 P12 Ru4 -","4","2","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface","Chem. Sci.","2017","","","","","10.1039/C7SC01846K","","x-ray","0.71073","MoKα","","0.0663","0.0372","","","0.0707","0.0782","","","","","","1.045","","","","has coordinates","196984","2020-10-21","18:00:00",""
"1546118","12.4465","0.0004","23.0308","0.0008","13.2665","0.0004","90","","96.239","0.001","90","","3780.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B10 Cl O2 P3 Ru -","- C32 H52 B10 Cl O2 P3 Ru -","- C128 H208 B40 Cl4 O8 P12 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Rapid Reversible Borane to Boryl Hydride Exchange by Metal Shuttling on the Carborane Cluster Surface","Chem. Sci.","2017","","","","","10.1039/C7SC01846K","","x-ray","0.71073","MoKα","","0.0373","0.0248","","","0.0568","0.0603","","","","","","1.033","","","","has coordinates","196984","2020-10-21","18:00:00",""
"1546119","11.1553","0.0019","19.49","0.004","30.332","0.006","90","","90","","90","","6595","2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67.59 H76.99 N12 -","- C67.582 H76.972 N12 -","- C270.328 H307.888 N48 -","4","1","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.0948","0.0786","","","0.212","0.2297","","","","","","1.085","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546120","17.5575","0.0007","17.5575","0.0007","28.6921","0.0012","90","","90","","120","","7659.8","0.5","100","","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C142.09 H188.18 Cl5.5 N24 O9.92 -","- C140.408 H166.74 Cl5.4997 N24 O9.9239 -","- C280.816 H333.48 Cl10.9994 N48 O19.8478 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1435","0.1285","","","0.3302","0.3421","","","","","","2.372","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546121","24.318","0.002","24.318","0.002","24.318","0.002","90","","90","","90","","14381","2","100","","100","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C130 H160.5 N24 O15.25 -","- C130 H126 N24 O15.2498 -","- C520.001 H504 N96 O60.9992 -","4","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.086","0.0722","","","0.2033","0.2134","","","","","","1.043","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546122","17.5938","0.0007","17.5938","0.0007","32.2344","0.0013","90","","90","","120","","8641.1","0.6","100","","100","","","","","","","","","5","P 63","P 6c","173","","","","- C151 H214 Cl2 N24 O10 -","- C151 H192 Cl2 N24 O9.9996 -","- C302 H384 Cl4 N48 O19.9992 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1121","0.0916","","","0.246","0.2709","","","","","","1.064","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546123","19.296","0.0008","8.0943","0.0004","6.9478","0.0003","90","","90","","90","","1085.16","0.08","104.2","","104.2","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng","Bioactive Glycosides from the Twigs of Litsea cubeba.","Journal of natural products","2017","80","6","1808","1818","10.1021/acs.jnatprod.6b01189","","","1.5418","CuKα","","0.0371","0.0349","","","0.0907","0.0931","","","","","","1.066","","","","has coordinates","198420","2020-10-21","18:00:00",""
"1546124","15.862","0.002","15.219","0.002","18.723","0.003","90","","90","","90","","4519.8","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0756","0.052","","","0.1406","0.1577","","","","","","1.043","","","","has coordinates","198425","2020-10-21","18:00:00",""
"1546125","24.0022","0.0018","8.6136","0.0006","25.556","0.003","90","","116.047","0.003","90","","4747","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl5 Mg N3 O -","- C21 H22 Cl5 Mg N3 O -","- C168 H176 Cl40 Mg8 N24 O8 -","8","1","","Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe","Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC01514C","","","0.71073","MoKα","","0.0516","0.0391","","","0.0912","0.0972","","","","","","1.016","","","","has coordinates","197008","2020-10-21","18:00:00",""
"1546126","27.298","0.0018","14.9001","0.0012","16.8775","0.001","90","","124.63","0.002","90","","5648.6","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 Cl12 Mg2 N6 O2 -","- C47 H54 Cl12 Mg2 N6 O2 -","- C188 H216 Cl48 Mg8 N24 O8 -","4","0.5","","Rosen, Tomer; Goldberg, I.; Navarra, Wanda; Venditto, Vincenzo; Kol, Moshe","Divergent [{ONNN}Mg-Cl] complexes in the highly active and living lactide polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC01514C","","","0.71073","MoKα","","0.0702","0.0567","","","0.1488","0.1604","","","","","","1.004","","","","has coordinates","197008","2020-10-21","18:00:00",""
"1546128","34.9084","0.0006","14.9228","0.0002","29.6669","0.0005","90","","101.028","0.002","90","","15169","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C117.06 H104.25 I12 N25.11 O10.05 Zn6 -","- C468.24 H417 I48 N100.44 O40.2 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","0.71075","MoKα","","0.0943","0.0604","","","0.1693","0.192","","","","","","1.012","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546129","36.0217","0.0006","14.6919","0.0002","30.6728","0.0007","90","","101.672","0.002","90","","15897.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H138.74 I12 N24 O9.74 Zn6 -","- C132.786 H138.772 I12 N24 O9.74 Zn6 -","- C531.144 H555.088 I48 N96 O38.96 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0749","0.0709","","","0.1984","0.205","","","","","","1.027","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546130","33.9973","0.001","14.9225","0.0003","31.1158","0.0008","90","","101.047","0.003","90","","15493.3","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C100.85 H95.62 Cl11.35 I12.03 N24.48 O2.88 S0.48 Zn6 -","- C100.844 H95.629 Cl11.348 I12.0308 N24.479 O2.874 S0.479 Zn5.999 -","- C403.376 H382.516 Cl45.392 I48.1232 N97.916 O11.496 S1.916 Zn23.996 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54184","CuKα","","0.1099","0.0818","","","0.2226","0.256","","","","","","1.037","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546131","34.869","0.0006","14.9135","0.0001","31.5649","0.0005","90","","102.275","0.002","90","","16039.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C122.98 H117.96 I12 N28 Zn6 -","- C122.98 H117.96 I12 N28 Zn6 -","- C491.92 H471.84 I48 N112 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0768","0.0689","","","0.1946","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546132","36.1897","0.0008","14.6874","0.0002","34.7427","0.0008","90","","109.742","0.002","90","","17381.5","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C136.11 H131.89 I12 N27.41 Zn6 -","- C136.11 H131.89 I12 N27.41 Zn6 -","- C544.44 H527.56 I48 N109.64 Zn24 -","4","1","","Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto","Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method","Chem. Sci.","2017","","","","","10.1039/C7SC01524K","","","1.54187","CuKα","","0.0865","0.0742","","","0.2049","0.2219","","","","","","1.047","","","","has coordinates,has disorder","197055","2020-10-21","18:00:00",""
"1546133","12.0727","0.0015","12.564","0.0016","26.304","0.003","90","","90","","90","","3989.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 B10 N2 -","- C18 H22 B10 N2 -","- C144 H176 B80 N16 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0627","0.0513","","","0.1373","0.1484","","","","","","1.041","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546134","41.094","0.003","11.9824","0.0008","19.1819","0.0012","90","","108.189","0.001","90","","8973.3","1.1","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B10 Cl2 F10 Ir N4 P -","- C38 H38 B10 Cl2 F10 Ir N4 P -","- C304 H304 B80 Cl16 F80 Ir8 N32 P8 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0772","0.0575","","","0.1471","0.1622","","","","","","1.077","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546135","30.853","0.015","6.836","0.003","12.622","0.006","90","","106.229","0.009","90","","2556","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 B20 N2 -","- C14 H28 B20 N2 -","- C56 H112 B80 N8 -","4","0.5","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.1757","0.1072","","","0.2855","0.3291","","","","","","1.033","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546136","10.4515","0.0004","13.4143","0.0006","18.7342","0.0008","96.628","0.002","97.799","0.001","105.863","0.001","2470.87","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H34 B10 Cl0 F10 Ir N4 P -","- C40 H34 B10 F10 Ir N4 P -","- C80 H68 B20 F20 Ir2 N8 P2 -","2","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.04","0.0299","","","0.0651","0.0677","","","","","","1.026","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546137","10.3413","0.0005","19.9619","0.0009","23.794","0.0011","90","","94.892","0.001","90","","4894","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 B10 Cl4 F10 Ir N4 P -","- C40.001 H42.002 B10 Cl4.002 F10 Ir N4 P -","- C160.004 H168.008 B40 Cl16.008 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0788","0.0419","","","0.0776","0.0877","","","","","","1.02","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546138","9.6791","0.0014","12.7772","0.0018","28.988","0.004","90","","90","","90","","3585","0.9","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C140 H108 Cl8 F40 Ir4 N16 O2 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.025","0.024","","","0.0662","0.0706","","","","","","1.033","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546139","19.439","0.004","11.727","0.003","19.346","0.004","90","","100.293","0.004","90","","4339.2","1.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 B10 F10 Ir N4 O0 P -","- C34 H29 B10 F10 Ir N4 P -","- C136 H116 B40 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0432","0.0323","","","0.0893","0.0935","","","","","","1.054","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546140","17.3958","0.0014","12.1322","0.001","24.263","0.002","90","","106.755","0.001","90","","4903.3","0.7","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C36 H34 B10 Cl2 F10 Ir N4 P -","- C36 H34 B10 Cl2 F10 Ir N4 P -","- C144 H136 B40 Cl8 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0437","0.0348","","","0.0957","0.0999","","","","","","1.057","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546141","19.3966","0.0013","11.8557","0.0008","19.0311","0.0013","90","","99.693","0.001","90","","4313.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 B10 F10 Ir N4 P -","- C35 H32 B10 F10 Ir N4 P -","- C140 H128 B40 F40 Ir4 N16 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0332","0.0312","","","0.0821","0.084","","","","","","1.091","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546142","9.8604","0.0016","12.364","0.002","15.752","0.003","90","","90","","90","","1920.4","0.6","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N4 O5 -","- C20 H30 N4 O5 -","- C80 H120 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0772","0.0753","","","0.2019","0.2041","","","","","","1.0153","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546143","9.4557","0.0013","12.8247","0.0017","15.429","0.002","90","","90","","90","","1871","0.4","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C80 H96 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0514","0.0511","","","0.1663","0.1667","","","","","","1.5369","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546144","8.794","0.007","10.086","0.008","12.604","0.009","76.44","0.03","78.13","0.03","79.99","0.03","1054.2","1.4","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br2 Mn N3 O5 -","- C20 H20 Br2 Mn N3 O5 -","- C40 H40 Br4 Mn2 N6 O10 -","2","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.067","","","","0.1945","","","","","","1.059","","","","has coordinates","197088","2020-10-21","18:00:00",""
"1546145","8.7051","0.0007","15.844","0.0007","14.3082","0.0014","90","","111.219","0.004","90","","1839.6","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Mn N3 O5 -","- C20 H22 Mn N3 O5 -","- C80 H88 Mn4 N12 O20 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0272","","","","0.0723","","","","","","1.039","","","","has coordinates","197089","2020-10-21","18:00:00",""
"1546146","7.8995","0.0004","19.6273","0.0011","14.075","0.0008","90","","103.223","0.001","90","","2124.4","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 Mn N3 O2 S -","- C21 H20 Cl2 Mn N3 O2 S -","- C84 H80 Cl8 Mn4 N12 O8 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0734","0.041","","","0.0746","0.0842","","","","","","0.988","","","","has coordinates","197090","2020-10-21","18:00:00",""
"1546147","7.3227","0.0013","16.417","0.003","20.421","0.004","90","","107.009","0.0018","90","","2347.6","0.8","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cl Mn N2 O9 -","- C22 H28 Cl Mn N2 O9 -","- C88 H112 Cl4 Mn4 N8 O36 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.044","","","","0.1242","","","","","","1.047","","","","has coordinates","197091","2020-10-21","18:00:00",""
"1546148","14.2637","0.0005","17.4799","0.0006","17.7014","0.0006","90","","90","","90","","4413.5","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O6 Re -","- C22 H26 Mn N2 O6 Re -","- C176 H208 Mn8 N16 O48 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0227","0.0196","","","0.0468","0.0477","","","","","","1.161","","","","has coordinates","197092","2020-10-21","18:00:00",""
"1546149","8.428","0.006","14.1","0.009","19.038","0.013","90","","97.917","0.008","90","","2241","3","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 Mn N3 O2 S -","- C21 H20 Br2 Mn N3 O2 S -","- C84 H80 Br8 Mn4 N12 O8 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0505","","","","0.1075","","","","","","1.099","","","","has coordinates","197093","2020-10-21","18:00:00",""
"1546150","7.3187","0.0004","20.537","0.001","16.1889","0.0008","90","","95.132","0.001","90","","2423.5","0.2","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F6 Mn N2 O5 P -","- C22 H28 F6 Mn N2 O5 P -","- C88 H112 F24 Mn4 N8 O20 P4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0512","0.0354","","","0.0805","0.0865","","","","","","1.029","","","","has coordinates","197094","2020-10-21","18:00:00",""
"1546151","8.1","0.005","11.44","0.007","12.45","0.007","71.154","0.013","73.375","0.014","86.565","0.016","1045.5","1.1","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br2 Mn N5 O2 -","- C20 H20 Br2 Mn N5 O2 -","- C40 H40 Br4 Mn2 N10 O4 -","2","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.026","","","","0.0704","","","","","","1.047","","","","has coordinates","197095","2020-10-21","18:00:00",""
"1546152","9.223","0.004","13.875","0.006","16.951","0.007","90","","101.021","0.006","90","","2129.2","1.6","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Mn N3 O7 -","- C22 H26 Mn N3 O7 -","- C88 H104 Mn4 N12 O28 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0671","","","","0.176","","","","","","1.156","","","","has coordinates","197096","2020-10-21","18:00:00",""
"1546153","7.3962","0.0011","15.437","0.002","19.592","0.003","90","","90","","90","","2236.9","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl Mn N2 O7 -","- C22 H28 Cl Mn N2 O7 -","- C88 H112 Cl4 Mn4 N8 O28 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0601","0.0456","","","0.0919","0.0972","","","","","","1.073","","","","has coordinates","197097","2020-10-21","18:00:00",""
"1546154","15.9799","0.0004","15.253","0.0004","17.7327","0.0005","90","","90","","90","","4322.2","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Mn N3 O2 S -","- C23 H26 Mn N3 O2 S -","- C184 H208 Mn8 N24 O16 S8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0397","0.0296","","","0.074","0.0793","","","","","","1.034","","","","has coordinates","197098","2020-10-21","18:00:00",""
"1546155","8.08","0.005","11.412","0.007","12.082","0.007","71.822","0.014","73.52","0.014","86.773","0.017","1014.4","1.1","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Mn N5 O2 -","- C20 H20 Cl2 Mn N5 O2 -","- C40 H40 Cl4 Mn2 N10 O4 -","2","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0237","","","","0.0643","","","","","","1.063","","","","has coordinates","197099","2020-10-21","18:00:00",""
"1546156","7.416","0.007","17.927","0.016","18.623","0.017","90","","93.457","0.011","90","","2471","4","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F3 Mn N2 O8 S -","- C23 H28 F3 Mn N2 O8 S -","- C92 H112 F12 Mn4 N8 O32 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0744","","","","0.1725","","","","","","1.125","","","","has coordinates","197100","2020-10-21","18:00:00",""
"1546157","14.7377","0.0007","16.7073","0.0008","18.4223","0.0009","90","","90","","90","","4536.1","0.4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O8 Re -","- C22 H26 Mn N2 O8 Re -","- C176 H208 Mn8 N16 O64 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0565","0.0531","","","0.1031","0.1043","","","","","","1.329","","","","has coordinates","197101","2020-10-21","18:00:00",""
"1546158","8.7807","0.0014","14.932","0.0016","17.271","0.003","90","","102.122","0.006","90","","2214","0.6","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Mn N3 O4 S -","- C23 H26 Mn N3 O4 S -","- C92 H104 Mn4 N12 O16 S4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0413","","","","0.119","","","","","","1.075","","","","has coordinates","197102","2020-10-21","18:00:00",""
"1546159","7.324","0.003","15.433","0.007","19.273","0.008","90","","90.0406","0.0014","90","","2178.5","1.6","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl3 Mn N2 O7 -","- C20 H22 Cl3 Mn N2 O7 -","- C80 H88 Cl12 Mn4 N8 O28 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0286","","","","0.0693","","","","","","1.066","","","","has coordinates","197103","2020-10-21","18:00:00",""
"1546160","8.741","0.005","18.116","0.009","13.841","0.007","90","","100.912","0.005","90","","2152","2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 Mn N2 O6 Re -","- C20 H20 Cl2 Mn N2 O6 Re -","- C80 H80 Cl8 Mn4 N8 O24 Re4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.7107","MoKα","","","0.0166","","","","0.0544","","","","","","1.21","","","","has coordinates","197104","2020-10-21","18:00:00",""
"1546161","16.719","0.0006","14.5578","0.0005","17.9507","0.0006","90","","104.338","0.001","90","","4233","0.3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Mn2 N10 O8 -","- C44 H52 Mn2 N10 O8 -","- C176 H208 Mn8 N40 O32 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0465","0.0328","","","0.08","0.0859","","","","","","1.043","","","","has coordinates","197105","2020-10-21","18:00:00",""
"1546162","8.813","0.0004","14.3852","0.0006","16.9362","0.0007","81.336","0.001","75.607","0.001","84.498","0.001","2052.16","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Mn N3 O5 -","- C22 H26 Mn N3 O5 -","- C88 H104 Mn4 N12 O20 -","4","2","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0504","0.0366","","","0.0883","0.0944","","","","","","1.038","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546163","13.849","0.004","18.445","0.007","8.901","0.003","90","","100.56","0.02","90","","2235.2","1.3","153","","153","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br2 Mn N2 O6 Re -","- C20 H20 Br2 Mn N2 O6 Re -","- C80 H80 Br8 Mn4 N8 O24 Re4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71069","MoKα","","","0.0342","","","","0.1052","","","","","","1.047","","","","has coordinates","197107","2020-10-21","18:00:00",""
"1546164","10.927","0.002","5.4369","0.0014","13.378","0.002","90","","100.686","0.004","90","","781","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C34 H48 O6 -","2","1","","Liu, Yun-Ting; Chen, Ji-Qiang; Li, Lin-Ping; Shao, Xin-Yang; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Tetrasubstituted Cyclic Enones to Chiral Cycloalkanols with Three Contiguous Stereocenters.","Organic letters","2017","19","12","3231","3234","10.1021/acs.orglett.7b01343","","","1.54187","CuKα","","0.0325","0.0304","","","0.0861","0.0909","","","","","","1.081","","","","has coordinates","198428","2020-10-21","18:00:00",""
"1546165","10.8731","0.0004","11.2643","0.0004","14.1668","0.0004","92.003","0.002","93.9208","0.0019","101.502","0.002","1694.2","0.1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O7 -","- C16 H24 O7 -","- C64 H96 O28 -","4","2","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0522","0.0405","","","0.0971","0.1038","","","","","","1.038","","","","has coordinates","198433","2020-10-21","18:00:00",""
"1546166","8.999","0.0006","9.833","0.0006","17.8989","0.0011","90","","101.692","0.002","90","","1550.96","0.17","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0375","0.036","","","0.091","0.0923","","","","","","1.035","","","","has coordinates","198433","2020-10-21","18:00:00",""
"1546167","9.945","0.0005","10.1542","0.0005","10.9266","0.0006","73.626","0.002","65.348","0.002","74.857","0.002","949.02","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O7 -","- C19 H28 O7 -","- C38 H56 O14 -","2","1","","Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.","Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.","Organic letters","2017","19","12","3107","3110","10.1021/acs.orglett.7b01225","","","1.54178","CuKα","","0.0419","0.0387","","","0.104","0.1074","","","","","","1.039","","","","has coordinates","198433","2020-10-21","18:00:00",""
"1546168","8.4306","0.0004","11.7839","0.0006","12.6627","0.0006","96.816","0.004","105.872","0.005","103.544","0.005","1153.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 F2 N2 O2 -","- C26 H30 F2 N2 O2 -","- C52 H60 F4 N4 O4 -","2","1","","Maity, Soham; Dolui, Pravas; Kancherla, Rajesh; Maiti, Debabrata","Introducing unactivated acyclic internal aliphatic olefins into a cobalt catalyzed allylic selective dehydrogenative Heck reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01204G","","x-ray","0.71073","MoKα","","0.1155","0.077","","","0.2086","0.2623","","","","","","1.108","","","","has coordinates","197117","2020-10-21","18:00:00",""
"1546169","18.6834","0.0011","9.2143","0.0005","15.3519","0.0008","90","","108.428","0.002","90","","2507.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Al Si3 Ti -","- C20 H40 Al Si3 Ti -","- C80 H160 Al4 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0493","0.0418","","","0.1052","0.1113","","","","","","1.101","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546170","12.149","0.0006","16.6519","0.0009","18.1791","0.0009","105.807","0.003","102.06","0.002","91.054","0.003","3449.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ACB_1_140","","","- C30 H47 Al F4 Si3 Ti2 -","- C30 H47 Al F4 Si3 Ti2 -","- C120 H188 Al4 F16 Si12 Ti8 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.1002","0.0578","","","0.1261","0.1429","","","","","","1.042","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546171","13.804","0.0005","20.5426","0.001","18.7994","0.0009","90","","105.291","0.002","90","","5142.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acb_1_097","","","- C21.5 H41.5 Al Si3 Ti -","- C21.5 H41.5 Al Si3 Ti -","- C172 H332 Al8 Si24 Ti8 -","8","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0505","0.0384","","","0.0896","0.0955","","","","","","1.066","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546172","13.5985","0.0005","13.6009","0.0005","16.6858","0.0007","106.549","0.0016","107.02","0.0015","98.4556","0.0015","2737.85","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H46 Al K O2 Si3 -","- C18 H46 Al K O2 Si3 -","- C72 H184 Al4 K4 O8 Si12 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0887","0.043","","","0.1158","0.1343","","","","","","1.04","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546173","17.5367","0.0005","11.3812","0.0003","18.6758","0.0005","90","","115.366","0.001","90","","3368.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acb_1_088","","","- C30 H58 Al Si3 Ti -","- C30 H58 Al Si3 Ti -","- C120 H232 Al4 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.054","0.0477","","","0.1232","0.1287","","","","","","1.066","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546174","13.9593","0.0011","26.812","0.002","9.5669","0.0006","90","","90.391","0.004","90","","3580.6","0.4","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Al Si3 Ti2 -","- C30 H47 Al Si3 Ti2 -","- C120 H188 Al4 Si12 Ti8 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0745","0.0484","","","0.1128","0.1201","","","","","","0.945","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546175","11.8167","0.0011","16.7464","0.0016","18.0477","0.0018","105.953","0.004","103.15","0.004","90.965","0.004","3331.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H51 Al Si3 Ti2 -","- C30 H51 Al Si3 Ti2 -","- C120 H204 Al4 Si12 Ti8 -","4","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.1062","0.0933","","","0.2365","0.247","","","","","","1.052","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546176","15.9334","0.0005","8.8807","0.0002","41.2358","0.0012","90","","92.756","0.002","90","","5828.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(Cp)2Ti(u-H)(u-OTf)Al(H)C(TMS)3","","","- C21 H39 Al F3 O3 S Si3 Ti -","- C21 H39 Al F3 O3 S Si3 Ti -","- C168 H312 Al8 F24 O24 S8 Si24 Ti8 -","8","2","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.71073","MoKα","","0.0785","0.0532","","","0.1174","0.1285","","","","","","1.038","","","","has coordinates,has disorder","197118","2020-10-21","18:00:00",""
"1546177","12.528","0.007","18.992","0.01","15.352","0.008","90","","90","","90","","3653","3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H56 Al N2 O3 Si3 Ti -","- C30 H56 Al N2 O3 Si3 Ti -","- C120 H224 Al4 N8 O12 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.7749","synchrotron","","0.0325","0.0278","","","0.063","0.065","","","","","","1.037","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546178","11.686","0.008","15.497","0.01","18.639","0.012","90","","107.884","0.005","90","","3212","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H54 Al N2 Si3 Ti -","- C27 H54 Al N2 Si3 Ti -","- C108 H216 Al4 N8 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.7749","synchrotron","","0.0386","0.0306","","","0.0735","0.0768","","","","","","1.041","","","","has coordinates,has disorder","197118","2020-10-21","18:00:00",""
"1546179","7.1689","0.0013","9.283","0.0015","11.8655","0.0016","95.669","0.01","91.769","0.011","107.117","0.013","749.5","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","1,2(bis-4-pyridyl)ethane fluorohydroquinone co-crystal","","- C18 H17 F N2 O2 -","- C18 H17 F N2 O2 -","- C36 H34 F2 N4 O4 -","2","1","","Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee","Hydrogen bonding vs. halogen bonding: the solvent decides","Chem. Sci.","2017","","","","","10.1039/C7SC01801K","","","1.54178","CuKα","","0.1014","0.0701","","","0.1822","0.2093","","","","","","1.019","","","","has coordinates,has disorder","197134","2020-10-21","18:00:00",""
"1546180","6.1939","0.0004","7.4692","0.0005","9.0672","0.0006","86.863","0.005","75.722","0.005","71.755","0.004","385.97","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","1,2-Bis(4-pyridyl)ethane tetrafluorohydroquinone co-crystal","","- C18 H14 F4 N2 O2 -","- C18 H14 F4 N2 O2 -","- C18 H14 F4 N2 O2 -","1","0.5","","Robertson, Craig. C.; Wright, James S.; Carrington, Elliot J.; Perutz, Robin N.; Hunter, Christopher A.; Brammer, Lee","Hydrogen bonding vs. halogen bonding: the solvent decides","Chem. Sci.","2017","","","","","10.1039/C7SC01801K","","","0.71073","MoKα","","0.0573","0.0388","","","0.0851","0.0955","","","","","","1.022","","","","has coordinates","197134","2020-10-21","18:00:00",""
"1546181","13.6329","0.0004","14.5215","0.0004","63.8849","0.0018","90","","91.6616","0.0012","90","","12642","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 B N9 O4.28 S Zn -","- C65 H74 B N9 O4.2765 S Zn -","- C520 H592 B8 N72 O34.212 S8 Zn8 -","8","2","","Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz","Heterospin biradicals provide insight into molecular conductance and rectification","Chem. Sci.","2017","","","","","10.1039/C7SC00073A","","","1.54178","CuKα","","0.1018","0.0901","","","0.2021","0.2082","","","","","","1.131","","","","has coordinates,has disorder","197135","2020-10-21","18:00:00",""
"1546182","22.0024","0.0013","16.5492","0.0012","21.1852","0.0008","90","","112.792","0.002","90","","7111.7","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","TP-DCM","","","- C65 H74 B N9 O4 S Zn -","- C65 H74 B N9 O4 S Zn -","- C260 H296 B4 N36 O16 S4 Zn4 -","4","1","","Kirk, Martin L.; Shultz, David A.; Zhang, Jinyuan; Dangi, Ranjana; Ingersol, Laura; Yang, Jing; Finney, Nathaniel S.; Sommer, Roger D.; Wojtas, Lukasz","Heterospin biradicals provide insight into molecular conductance and rectification","Chem. Sci.","2017","","","","","10.1039/C7SC00073A","","","0.71073","MoKα","","0.0673","0.0528","","","0.1472","0.1604","","","","","","1.059","","","","has coordinates","197135","2020-10-21","18:00:00",""
"1546183","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María","Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure.","Metallomics : integrated biometal science","2017","9","5","564","574","10.1039/c7mt00014f","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","197143","2020-10-21","18:00:00",""
"1546184","21.102","0.008","10.963","0.006","5.929","0.002","90","","92.57","0.05","90","","1370.2","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María","Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure.","Metallomics : integrated biometal science","2017","9","5","564","574","10.1039/c7mt00014f","","","0.71073","MoKα","","0.1293","0.0521","","","0.125","0.1498","","","","","","1.008","","","","has coordinates","197143","2020-10-21","18:00:00",""
"1546185","10.664","0.01","10.664","0.01","10.664","0.01","90","","90","","90","","1213","2","213","2","213","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag Cl6 Cs2 Sb -","- Ag Cl6 Cs2 Sb -","- Ag4 Cl24 Cs8 Sb4 -","4","0.0208333","","Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M.","Designing Indirect-Direct Bandgap Transitions in Double Perovskites","Mater. Horiz.","2017","","","","","10.1039/C7MH00239D","","","0.71073","MoKα","","0.0101","0.0088","","","0.0252","0.0258","","","","","","1.017","","","","has coordinates","197148","2020-10-21","18:00:00",""
"1546186","10.469","0.011","10.469","0.011","10.469","0.011","90","","90","","90","","1147","2","213","2","213","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag Cl6 Cs2 In -","- Ag Cl6 Cs2 In -","- Ag4 Cl24 Cs8 In4 -","4","0.0208333","","Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M.","Designing Indirect-Direct Bandgap Transitions in Double Perovskites","Mater. Horiz.","2017","","","","","10.1039/C7MH00239D","","","0.71073","MoKα","","0.0069","0.0067","","","0.0205","0.0208","","","","","","1.44","","","","has coordinates","197148","2020-10-21","18:00:00",""
"1546187","31.169","0.0013","5.462","0.0002","19.627","0.0008","90","","102.81","","90","","3258.2","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1,7,10,16-Tetraoxa-4,13-diazacyclo-octadecane 1,8-diiodoperfluorooctane","","- C20 H26 F16 I2 N2 O4 -","- C20 H26 F16 I2 N2 O4 -","- C80 H104 F64 I8 N8 O16 -","4","0.5","","Zavala, Jose; Greenan, Rebecca; Krantz, Q. Todd; DeMarini, David M.; Higuchi, Mark; Gilmour, M. Ian; White, Paul A.","Regulating temperature and relative humidity in air‒liquid interface in vitro systems eliminates cytotoxicity resulting from control air exposures","Toxicol. Res.","2017","","","","","10.1039/C7TX00109F","","","0.71069","MoKα","","0.0572","0.0413","","","0.1153","0.1242","","","","","","1.06","","","","has coordinates,has disorder","197149","2020-10-21","18:00:00",""
"1546188","10.4008","0.0008","19.8632","0.0015","8.9591","0.0007","90","","91.71","0.002","90","","1850.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.1376","0.0845","","","0.1632","0.1859","","","","","","1.095","","","","has coordinates","198426","2020-10-21","18:00:00",""
"1546189","9.4297","0.0016","9.7758","0.0016","18.503","0.003","90","","103.717","0.011","90","","1657","0.5","276","2","276","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.152","0.085","","","0.1721","0.1976","","","","","","1.073","","","","has coordinates","198426","2020-10-21","18:00:00",""
"1546190","8.098","0.003","14.164","0.005","11.844","0.005","90","","98.751","0.015","90","","1342.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan","Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles.","Organic letters","2017","19","12","3119","3122","10.1021/acs.orglett.7b01233","","","0.71073","MoKα","","0.1175","0.0601","","","0.1283","0.1494","","","","","","1.025","","","","has coordinates","198427","2020-10-21","18:00:00",""
"1546191","9.593","0.006","16.282","0.009","12.782","0.007","90","","100.516","0.018","90","","1963","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Srihari, Pabbaraja; Mehta, Goverdhan","Spiroannulation of Oxindoles via Aryne and Alkyne Incorporation: Substituent-Diverted, Transition-Metal-Free, One-Pot Access to Spirooxindoles.","Organic letters","2017","19","12","3119","3122","10.1021/acs.orglett.7b01233","","","0.71073","MoKα","","0.1394","0.0606","","","0.0973","0.1175","","","","","","1.049","","","","has coordinates","198427","2020-10-21","18:00:00",""
"1546192","11.1357","0.0016","12.5468","0.0019","22.93","0.003","90","","90","","90","","3203.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 -","- C19 H26 N2 -","- C152 H208 N16 -","8","2","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.1259","0.0769","","","0.1942","0.233","","","","","","1.042","","","","has coordinates","198429","2020-10-21","18:00:00",""
"1546193","8.558","0.004","9.278","0.004","11.548","0.005","89.047","0.008","68.729","0.007","70.014","0.008","796.9","0.6","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 F3 N O6 Ru -","- C13 H12 F3 N O6 Ru -","- C26 H24 F6 N2 O12 Ru2 -","2","1","","Fan, Zhoulong; Li, Jie; Lu, Heng; Wang, Dong-Yu; Wang, Chao; Uchiyama, Masanobu; Zhang, Ao","Monomeric Octahedral Ruthenium(II) Complex Enabled meta-C‒H Nitration of Arenes with Removable Auxiliaries","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01297","","","0.71073","MoKα","","0.0286","0.0274","","","0.0897","0.0916","","","","","","1.017","","","","has coordinates","197175","2020-10-21","18:00:00",""
"1546194","10.7535","0.0005","6.972","0.0003","12.657","0.0006","90","","110.71","0.002","90","","887.62","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide","","- C18 H33 N O3 -","- C18 H33 N O3 -","- C36 H66 N2 O6 -","2","1","","Novaes, Luiz F. T.; Pastre, Julio C.","Formal Total Synthesis of Actinoranone and Asymmetric Synthesis of Labda-7,13-(E)-dien-15-ol.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01287","","","1.54184","CuKα","","0.0349","0.0341","","","0.1014","0.1034","","","","","","0.9079","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546195","8.5342","0.0014","8.687","0.0014","18.025","0.003","88.68","0.003","84.146","0.003","78.769","0.003","1303.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Br2 N5 O4 -","- C28 H23 Br2 N5 O4 -","- C56 H46 Br4 N10 O8 -","2","1","","Wang, Xiao; Wu, Lin; Yang, Peng; Song, Xiang-Jia; Ren, Hong-Xia; Peng, Lin; Wang, Li-Xin","Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and Base Catalyzed Michael Addition with β-Nitrostyrene via C3 Umpolung of Oxindole.","Organic letters","2017","19","12","3051","3054","10.1021/acs.orglett.7b01063","","","0.71073","MoKα","","0.0578","0.0405","","","0.0997","0.1069","","","","","","1.022","","","","has coordinates","198431","2020-10-21","18:00:00",""
"1546196","14.494","0.005","15.866","0.005","18.793","0.009","96.478","0.014","90.043","0.01","90.052","0.018","4294","3","100","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H34 F N O4 S Si -","- C16 H34 F N O4 S Si -","- C128 H272 F8 N8 O32 S8 Si8 -","8","4","","Liu, Lu; Gerstner, Nels C.; Oxtoby, Lucas J.; Guzei, Ilia A.; Schomaker, Jennifer M.","Fluorinated Amine Stereotriads via Allene Amination","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01342","","x-ray","0.71073","MoKα","","0.069","0.0498","","","0.1246","0.1337","","","","","","1.09","","","","has coordinates,has disorder","197178","2020-10-21","18:00:00",""
"1546197","13.5017","0.0003","18.3754","0.0002","16.0677","0.0002","90","","104.555","0.0017","90","","3858.45","0.11","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81.02 H72.05 Cl4.05 F12 N4 O8 Sb2 -","- C81.024 H72.048 Cl4.048 F12 N4 O8 Sb2 -","- C162.048 H144.096 Cl8.096 F24 N8 O16 Sb4 -","2","0.5","","Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro","Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes.","Organic letters","2017","19","12","3115","3118","10.1021/acs.orglett.7b01229","","","1.54187","CuKα","","0.0559","0.0475","","","0.1276","0.1337","","","","","","1.029","","","","has coordinates,has disorder","198437","2020-10-21","18:00:00",""
"1546198","12.556","0.002","18.88","0.003","24.126","0.004","90","","91.189","0.003","90","","5718","1.6","143","","143","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H38 B F20 N2 O4 -","- C67 H38 B F20 N2 O4 -","- C268 H152 B4 F80 N8 O16 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Ito, Akihiro","Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes.","Organic letters","2017","19","12","3115","3118","10.1021/acs.orglett.7b01229","","","0.71075","MoKα","","0.0911","0.0661","","","0.153","0.1681","","","","","","1.115","","","","has coordinates","198437","2020-10-21","18:00:00",""
"1546199","12.237","0.0002","12.4525","0.0002","13.7714","0.0003","90","","90","","90","","2098.5","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form.","Journal of medicinal chemistry","2017","60","10","4503","4509","10.1021/acs.jmedchem.7b00422","","","1.54187","CuKα","","0.033","0.0311","","","0.0995","0.1026","","","","","","0.904","","","","has coordinates","197313","2020-10-21","18:00:00",""
"1546200","14.9136","0.0006","14.9888","0.0006","22.7918","0.0009","97.926","0.002","93.125","0.002","114.454","0.002","4558.1","0.3","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C30.5 H60.33333 O5.83333 -","- C30.6667 H54.3333 O5.66667 -","- C184 H326 O34 -","6","6","","Niu, Biao; Ke, Chang-Qiang; Li, Bo-Han; Li, Yuanyuan; Yi, Yongji; Luo, Yongwei; Shuai, Lin; Yao, Sheng; Lin, Li-Gen; Li, Jia; Ye, Yang","Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity.","Journal of natural products","2017","80","5","1428","1435","10.1021/acs.jnatprod.6b01086","","","1.54178","CuKα","","0.0896","0.0824","","","0.213","0.2199","","","","","","1.066","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1546201","7.45094","0.00006","9.21543","0.00008","26.7264","0.0002","90","","90","","90","","1835.13","0.03","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Luo, Pan; Xia, Wenjuan; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Zhao, Yu; Gu, Qiong; Xu, Jun","Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.","Journal of natural products","2017","80","5","1679","1683","10.1021/acs.jnatprod.6b01195","","x-ray","1.54184","CuKα","","0.0302","0.0298","","","0.0737","0.0738","","","","","","1.05","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546202","6.209","0.0002","7.0974","0.0001","19.3995","0.0006","90","","90.588","0.002","90","","854.85","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0332","0.0326","","","0.0884","0.0886","","","","","","1.072","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546203","5.9878","0.0003","7.3276","0.0002","18.7222","0.0007","90","","97.466","0.003","90","","814.49","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0366","0.0314","","","0.0803","0.0958","","","","","","1.173","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546204","6.2011","0.0004","7.0991","0.0004","19.423","0.0013","90","","90.899","0.005","90","","854.94","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0748","0.0641","","","0.1592","0.1664","","","","","","0.991","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546205","5.9893","0.0001","7.3207","0.0001","18.7356","0.0004","90","","97.532","0.002","90","","814.39","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.024","0.0239","","","0.0656","0.0657","","","","","","1.059","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546206","24.3633","0.0004","9.12727","0.00013","31.0898","0.0006","90","","109.128","0.002","90","","6531.8","0.2","99.9","0.2","100","80","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C276 H336 O84 -","12","6","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0464","0.0417","","","0.1069","0.1107","","","","","","1.031","","","","has coordinates,has disorder","197318","2020-10-21","18:00:00",""
"1546207","11.2706","0.0003","28.0835","0.0008","10.5737","0.0003","90","","116.053","0.001","90","","3006.69","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl3 N2 O2 Si -","- C30 H33 Cl3 N2 O2 Si -","- C120 H132 Cl12 N8 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.","Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.","Organic letters","2017","19","10","2482","2485","10.1021/acs.orglett.7b00618","","","1.54178","CuKα","","0.0444","0.0367","","","0.0903","0.0945","","","","","","1.04","","","","has coordinates","197352","2020-10-21","18:00:00",""
"1546208","28.8798","0.0002","28.8798","0.0002","25.2097","0.0003","90","","90","","120","","18209","0.3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H70 I2 N36 O16 -","- C66 H70 I2 N36 O16 -","- C594 H630 I18 N324 O144 -","9","0.5","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.0474","0.0359","","","0.0876","0.0935","","","","","","1.026","","","","has coordinates","197353","2020-10-21","18:00:00",""
"1546209","5.4544","0.0001","18.7828","0.0004","14.6592","0.0003","90","","92.914","0.002","90","","1499.88","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C64 H80 N16 O8 -","4","1","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.0512","0.0416","","","0.1018","0.108","","","","","","1.029","","","","has coordinates","197354","2020-10-21","18:00:00",""
"1546210","9.198","0.006","9.442","0.004","15.292","0.007","90","","104.995","0.01","90","","1282.8","1.2","298","","298","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang","Toward the Total Synthesis of Eurifoloid A.","Organic letters","2017","19","10","2742","2745","10.1021/acs.orglett.7b01102","","","0.71073","MoKα","","0.0939","0.0733","","","0.1764","0.2425","","","","","","1.241","","","","has coordinates","197355","2020-10-21","18:00:00",""
"1546211","4.4612","0.0002","11.7056","0.0005","13.0331","0.0005","67.332","0.002","89.169","0.002","81.812","0.002","621.02","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Br N -","- C16 H12 Br N -","- C32 H24 Br2 N2 -","2","1","","Kumar, Gangam Srikanth; Kumar, Pravin; Kapur, Manmohan","Traceless Directing-Group Strategy in the Ru-Catalyzed, Formal [3 + 3] Annulation of Anilines with Allyl Alcohols: A One-Pot, Domino Approach for the Synthesis of Quinolines.","Organic letters","2017","19","10","2494","2497","10.1021/acs.orglett.7b00715","","","0.71073","MoKα","","0.0187","0.0176","","","0.0471","0.0476","","","","","","1.02","","","","has coordinates","197356","2020-10-21","18:00:00",""
"1546212","8.0393","0.0002","8.6325","0.0003","13.2604","0.0004","90","","90.9524","0.0018","90","","920.13","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C42 H46 N6 O6 -","2","1","","Tooriyama, Shino; Mimori, Yuji; Wu, Yuqiu; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Pentacyclic Indole Alkaloid Andranginine and Absolute Configuration of Natural Product Isolated from Kopsia arborea.","Organic letters","2017","19","10","2722","2725","10.1021/acs.orglett.7b01076","","","1.54187","CuKα","","0.0671","0.0441","","","0.109","0.1316","","","","","","1.056","","","","has coordinates","197357","2020-10-21","18:00:00",""
"1546213","10.0435","0.0012","10.7709","0.0014","24.399","0.003","90","","90","","90","","2639.4","0.6","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O6 -","- C25 H29 Br N2 O6 -","- C100 H116 Br4 N8 O24 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0896","0.0476","","","0.0825","0.093","","","","","","0.951","","","","has coordinates,has disorder","197358","2020-10-21","18:00:00",""
"1546214","9.6689","0.0005","13.7338","0.0007","17.9303","0.0011","90","","90","","90","","2381","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Br N3 O5 -","- C24 H30 Br N3 O5 -","- C96 H120 Br4 N12 O20 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0229","0.0202","","","0.0457","0.0463","","","","","","1.01","","","","has coordinates","197359","2020-10-21","18:00:00",""
"1546215","25.771","0.003","6.8258","0.0008","7.1894","0.0005","90","","90","","90","","1264.7","0.2","293","2","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","0.5","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.71073","MoKα","","0.066","0.045","","","0.11","0.1235","","","","","","1.038","","","","has coordinates","197360","2020-10-21","18:00:00",""
"1546216","18.3137","0.0012","12.486","0.0007","4.8092","0.0004","90","","90","","90","","1099.7","0.13","175.3","","175.3","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C48 H32 F12 N4 O12 -","4","1","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.7107","MoKα","","0.0586","0.0474","","","0.1092","0.1178","","","","","","1.056","","","","has coordinates","197361","2020-10-21","18:00:00",""
"1546217","6.2656","0.0005","15.4462","0.0011","8.1799","0.0006","90","","94.209","0.003","90","","789.51","0.1","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C42 H30 F2 O4 -","2","1","","Zhang, Zong-Feng; Zhu, Dong-Xing; Chen, Wen-Wen; Xu, Bin; Xu, Ming-Hua","Enantioselective Synthesis of gem-Diaryl Benzofuran-3(2H)-ones via One-Pot Asymmetric Rhodium/Palladium Relay Catalysis.","Organic letters","2017","19","10","2726","2729","10.1021/acs.orglett.7b01070","","","1.54178","CuKα","","0.0311","0.0306","","","0.0828","0.0835","","","","","","1.037","","","","has coordinates","197362","2020-10-21","18:00:00",""
"1546218","21.6276","0.0014","21.6276","0.0014","8.1936","0.0006","90","","90","","90","","3832.6","0.4","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C184 H120 N24 O16 -","8","1","","Barve, Indrajeet J.; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Silver(I)-Catalyzed Regioselective Synthesis of Triazole Fused-1,5-Benzoxazocinones.","Organic letters","2017","19","9","2370","2373","10.1021/acs.orglett.7b00907","","","0.71073","MoKα","","0.1274","0.0981","","","0.2457","0.2641","","","","","","1.053","","","","has coordinates","197363","2020-10-21","18:00:00",""
"1546219","10.77","0.005","15.109","0.007","17.72","0.007","90","","90","","90","","2883","2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N O11 -","- C28 H41 N O11 -","- C112 H164 N4 O44 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0626","0.0547","","","0.1189","0.1225","","","","","","1.133","","","","has coordinates","197364","2020-10-21","18:00:00",""
"1546220","7.784","0.0002","9.7886","0.0003","14.7958","0.0005","90","","90","","90","","1127.36","0.06","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O3 -","- C11 H19 N O3 -","- C44 H76 N4 O12 -","4","1","","Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa","Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction.","Organic letters","2017","19","9","2390","2393","10.1021/acs.orglett.7b00918","","","1.54187","CuKα","","0.0508","0.0477","","","0.1197","0.1262","","","","","","1.085","","","","has coordinates","197365","2020-10-21","18:00:00",""
"1546221","10.5792","0.0007","12.2534","0.0009","20.4903","0.0016","90","","90","","90","","2656.2","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Br N O2 -","- C27 H36 Br N O2 -","- C108 H144 Br4 N4 O8 -","4","1","","Roiser, Lukas; Waser, Mario","Enantioselective Spirocyclopropanation of para-Quinone Methides Using Ammonium Ylides.","Organic letters","2017","19","9","2338","2341","10.1021/acs.orglett.7b00869","","","0.71073","MoKα","","0.0465","0.0363","","","0.0904","0.0953","","","","","","1.049","","","","has coordinates","197366","2020-10-21","18:00:00",""
"1546222","9.4386","0.0011","11.6291","0.0013","14.6798","0.0017","90","","93.296","0.003","90","","1608.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","2","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0885","0.0458","","","0.0861","0.1008","","","","","","0.964","","","","has coordinates,has disorder","197367","2020-10-21","18:00:00",""
"1546223","10.6637","0.0014","10.7733","0.0014","18.111","0.003","90","","90","","90","","2080.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl2 O -","- C26 H20 Cl2 O -","- C104 H80 Cl8 O4 -","4","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0497","0.0417","","","0.0998","0.1047","","","","","","1.036","","","","has coordinates","197368","2020-10-21","18:00:00",""
"1546224","9.717","0.008","11.448","0.008","10.196","0.008","90","","112.48","0.006","90","","1048","1.4","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O2 S -","- C25 H23 N O2 S -","- C50 H46 N2 O4 S2 -","2","1","","Najib, Atifah; Hirano, Koji; Miura, Masahiro","Palladium-Catalyzed Asymmetric Benzylic Substitution of Secondary Benzyl Carbonates with Nitrogen and Oxygen Nucleophiles.","Organic letters","2017","19","9","2438","2441","10.1021/acs.orglett.7b01022","","","0.71075","MoKα","","0.0378","0.0351","","","0.0855","0.0877","","","","","","1.041","","","","has coordinates","197369","2020-10-21","18:00:00",""
"1546225","19.884","0.002","8.5199","0.0008","15.7656","0.0016","90","","99.117","0.007","90","","2637.1","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O2 S -","- C29 H38 N2 O2 S -","- C116 H152 N8 O8 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0823","0.0447","","","0.0954","0.1099","","","","","","1.018","","","","has coordinates","197370","2020-10-21","18:00:00",""
"1546226","13.1459","0.0006","11.374","0.0006","15.2985","0.0007","90","","92.322","0.004","90","","2285.58","0.19","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C108 H104 N8 O8 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0919","0.0498","","","0.1016","0.1164","","","","","","1.014","","","","has coordinates","197371","2020-10-21","18:00:00",""
"1546227","9.2471","0.0009","10.0565","0.0009","12.1074","0.0011","83.941","0.005","76.636","0.005","83.733","0.005","1085.11","0.18","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N O3 S -","- C25 H31 N O3 S -","- C50 H62 N2 O6 S2 -","2","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0471","0.0379","","","0.1016","0.1085","","","","","","1.051","","","","has coordinates","197372","2020-10-21","18:00:00",""
"1546228","20.5163","0.001","16.682","0.0008","7.9278","0.0004","90","","90","","90","","2713.3","0.2","90","0.5","90","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 Cl2 N2 O3 S -","- C29 H30 Cl2 N2 O3 S -","- C116 H120 Cl8 N8 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.039","0.034","","","0.0841","0.0876","","","","","","1.038","","","","has coordinates","197373","2020-10-21","18:00:00",""
"1546229","12.3798","0.0008","23.4215","0.0016","8.3687","0.0006","90","","109.349","0.002","90","","2289.5","0.3","90","0.5","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C108 H108 N4 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.0502","0.0367","","","0.0881","0.0966","","","","","","1.039","","","","has coordinates","197374","2020-10-21","18:00:00",""
"1546230","5.9068","0.0003","13.7441","0.0007","14.5687","0.0008","109.313","0.004","100.073","0.004","97.026","0.004","1078.12","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C50 H54 N2 O4 S2 -","2","1","","Maiti, Saikat; Mal, Prasenjit","Dehydrogenative Aromatic Ring Fusion for Carbazole Synthesis via C-C/C-N Bond Formation and Alkyl Migration.","Organic letters","2017","19","9","2454","2457","10.1021/acs.orglett.7b01117","","","0.71073","MoKα","","0.0558","0.0433","","","0.1106","0.1185","","","","","","1.031","","","","has coordinates","197375","2020-10-21","18:00:00",""
"1546231","9.9922","0.0018","19.11","0.004","21.951","0.004","89.352","0.002","86.158","0.002","85.402","0.002","4168.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O2 -","- C34 H28 N2 O2 -","- C204 H168 N12 O12 -","6","3","","Zheng, Jiuan; Li, Panpan; Gu, Meng; Lin, Aijun; Yao, Hequan","Synthesis of Spiropentadiene Pyrazolones by Rh(III)-Catalyzed Formal sp(3) C-H Activation/Annulation.","Organic letters","2017","19","11","2829","2832","10.1021/acs.orglett.7b00930","","","0.71073","MoKα","","0.0875","0.0571","","","0.2088","0.236","","","","","","1.081","","","","has coordinates","197376","2020-10-21","18:00:00",""
"1546232","10.4652","0.0012","10.8048","0.0011","17.209","0.002","90","","105.635","0.003","90","","1873.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N O -","- C24 H14 F3 N O -","- C96 H56 F12 N4 O4 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.","Organic letters","2017","19","11","2997","3000","10.1021/acs.orglett.7b01232","","","0.71073","MoKα","","0.0944","0.0497","","","0.128","0.1571","","","","","","1.007","","","","has coordinates","197377","2020-10-21","18:00:00",""
"1546233","10.6016","0.0003","6.4032","0.0002","27.3243","0.0009","90","","91.4282","0.0016","90","","1854.31","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F3 N O4 -","- C20 H20 F3 N O4 -","- C80 H80 F12 N4 O16 -","4","1","","Gietter-Burch, Amber A S; Devannah, Vijayarajan; Watson, Donald A.","Trifluoromethylation of Secondary Nitroalkanes.","Organic letters","2017","19","11","2957","2960","10.1021/acs.orglett.7b01196","","","1.54178","CuKα","","0.052","0.0471","","","0.1387","0.1433","","","","","","1.053","","","","has coordinates","197378","2020-10-21","18:00:00",""
"1546234","7.3583","0.0003","8.6653","0.0003","15.7812","0.0005","94.049","0.003","95.948","0.003","105.631","0.003","958.7","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O5 -","- C22 H20 N4 O5 -","- C44 H40 N8 O10 -","2","1","","Xie, Jiaxin; Wang, Jianchun; Dong, Guangbin","Synthetic Study of Phainanoids. Highly Diastereoselective Construction of the 4,5-Spirocycle via Palladium-Catalyzed Intramolecular Alkenylation.","Organic letters","2017","19","11","3017","3020","10.1021/acs.orglett.7b01303","","","1.54184","CuKα","","0.0406","0.0381","","","0.0986","0.1012","","","","","","1.055","","","","has coordinates","197379","2020-10-21","18:00:00",""
"1546235","11.9761","0.001","12.0471","0.0008","17.418","0.0013","90","","98.702","0.007","90","","2484.1","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N3 O6 S2 -","- C26 H25 N3 O6 S2 -","- C104 H100 N12 O24 S8 -","4","1","","Wu, Zhengxing; Wen, Ke; Zhang, Jingang; Zhang, Wanbin","Pd(II)-Catalyzed Aerobic Intermolecular 1,2-Diamination of Conjugated Dienes: A Regio- and Chemoselective [4 + 2] Annulation for the Synthesis of Tetrahydroquinoxalines.","Organic letters","2017","19","11","2813","2816","10.1021/acs.orglett.7b00919","","","0.71073","MoKα","","0.0578","0.0393","","","0.0836","0.0936","","","","","","1.035","","","","has coordinates","197380","2020-10-21","18:00:00",""
"1546236","7.58618","0.00009","16.9757","0.0002","15.6843","0.0002","90","","93.0656","0.0011","90","","2016.94","0.04","294.39","0.1","294.39","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N2 O Rh -","- C22 H24 Cl N2 O Rh -","- C88 H96 Cl4 N8 O4 Rh4 -","4","1","","Long, Zhen; Wang, Zhigang; Zhou, Danni; Wan, Danyang; You, Jingsong","Rh(III)-Catalyzed Regio- and Chemoselective [4 + 1]-Annulation of Azoxy Compounds with Diazoesters for the Synthesis of 2H-Indazoles: Roles of the Azoxy Oxygen Atom.","Organic letters","2017","19","11","2777","2780","10.1021/acs.orglett.7b00631","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1379","0.1441","","","","","","1.036","","","","has coordinates","197381","2020-10-21","18:00:00",""
"1546237","14.8441","0.0002","10.42006","0.00018","14.7439","0.0003","90","","90","","90","","2280.53","0.07","294.4","0.1","294.4","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","1.54184","CuKα","","0.0417","0.0404","","","0.1066","0.1089","","","","","","1.055","","","","has coordinates","197382","2020-10-21","18:00:00",""
"1546238","8.1791","0.0006","8.4632","0.0004","11.3125","0.0009","70.672","0.006","84.194","0.007","80.842","0.005","728.52","0.09","292.5","0.2","292.5","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","0.71073","MoKα","","0.0626","0.0462","","","0.103","0.1147","","","","","","1.067","","","","has coordinates","197383","2020-10-21","18:00:00",""
"1546239","18.6655","0.0011","18.6655","0.0011","8.1126","0.0005","90","","90","","120","","2447.8","0.3","195","2","195","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C126 H120 N12 -","6","1","","Zhu, Zhengbo; Seidel, Daniel","Acetic Acid Promoted Redox Annulations with Dual C-H Functionalization.","Organic letters","2017","19","11","2841","2844","10.1021/acs.orglett.7b01047","","","0.71073","MoKα","","0.0516","0.0449","","","0.0995","0.1035","","","","","","1.043","","","","has coordinates","197384","2020-10-21","18:00:00",""
"1546240","6.4987","0.0003","6.9114","0.0003","41.4349","0.0019","90","","90","","90","","1861.05","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O8 -","- C19 H25 O8 -","- C76 H100 O32 -","4","1","","Nur-E-Alam, Mohammad; Yousaf, Muhammad; Ahmed, Sarfaraz; Al-Sheddi, Ebtesam S; Parveen, Ifat; Fazakerley, David M.; Bari, Ahmed; Ghabbour, Hazem A.; Threadgill, Michael D.; Whatley, Kezia C. L.; Hoffmann, Karl F.; Al-Rehaily, Adnan J","Neoclerodane Diterpenoids from Reehal Fatima, Teucrium yemense.","Journal of natural products","2017","80","6","1900","1908","10.1021/acs.jnatprod.7b00188","","","1.54178","CuKα","","0.0427","0.0408","","","0.1091","0.1102","","","","","","1.046","","","","has coordinates","198419","2020-10-21","18:00:00",""
"1546241","9.5081","0.0013","13.6271","0.0019","14.3689","0.0019","105.485","0.007","106.87","0.007","99.403","0.008","1657.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 F3 N3 O2 -","- C41 H34 F3 N3 O2 -","- C82 H68 F6 N6 O4 -","2","1","","Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming","Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization.","Organic letters","2017","19","12","3103","3106","10.1021/acs.orglett.7b01224","","","0.71073","MoKα","","0.0665","0.0483","","","0.1265","0.1394","","","","","","1.074","","","","has coordinates,has disorder","198438","2020-10-21","18:00:00",""
"1546242","9.4864","0.0011","9.9158","0.0011","15.8741","0.0018","82.816","0.003","79.911","0.002","71.445","0.003","1389.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N3 O4 S -","- C33 H27 N3 O4 S -","- C66 H54 N6 O8 S2 -","2","1","","Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming","Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization.","Organic letters","2017","19","12","3103","3106","10.1021/acs.orglett.7b01224","","","0.71073","MoKα","","0.0494","0.0407","","","0.1038","0.1104","","","","","","1.04","","","","has coordinates","198438","2020-10-21","18:00:00",""
"1546243","16.975","0.008","15.547","0.006","24.68","0.012","90","","101.91","0.03","90","","6373","5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61.5 H59 Al Cl8 N4 Ni -","- C61.5 H59 Al Cl8 N4 Ni -","- C246 H236 Al4 Cl32 N16 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.71073","MoKα","","0.1465","0.0768","","","0.182","0.2091","","","","","","0.924","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546244","14.507","0.003","16.966","0.003","19.647","0.004","112.115","0.009","101.465","0.01","100.432","0.011","4212.5","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H84 Al Cl9 N6 Ni3 -","- C90 H84 Al Cl9 N6 Ni3 -","- C180 H168 Al2 Cl18 N12 Ni6 -","2","1","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.71073","MoKα","","0.1394","0.0621","","","0.155","0.2102","","","","","","0.978","","","","has coordinates,has disorder","197539","2020-10-21","18:00:00",""
"1546245","12.652","0.0001","23.843","0.0001","12.739","0.0002","90","","100.858","0.001","90","","3774.07","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C34.25 H41.5 Al Cl4.75 N2 Ni -","- C137 H166 Al4 Cl19 N8 Ni4 -","4","2","","Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa","Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00875A","","x-ray","0.6771","synchrotron","","0.0899","0.0635","","","0.1657","0.1841","","","","","","1.033","","","","has coordinates,has disorder","197539","2020-10-21","18:00:00",""
"1546246","92.6284","0.0008","24.32104","0.00017","13.71515","0.00011","90","","90","","90","","30897.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C123 H254 K2 N2 O32 Si8 U2 -","- C123 H254 K2 N2 O32 Si8 U2 -","- C984 H2032 K16 N16 O256 Si64 U16 -","8","0.5","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0255","0.0252","","","0.0639","0.0642","","","","","","1.034","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546247","25.92909","0.00016","26.18261","0.00018","26.16679","0.00016","90","","90","","90","","17764.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H144 K N2 O22 Si4 U -","- C66 H144 K N2 O22 Si4 U -","- C528 H1152 K8 N16 O176 Si32 U8 -","8","2","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0312","0.0301","","","0.0677","0.0683","","","","","","1.096","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546248","14.4445","0.0004","14.4565","0.0006","47.0418","0.0018","82.352","0.003","84.245","0.003","78.583","0.003","9515.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C73 H152 K N2 O22 S Si4 U -","- C73 H152 K N2 O22 S Si4 U -","- C292 H608 K4 N8 O88 S4 Si16 U4 -","4","2","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0931","0.0906","","","0.2307","0.232","","","","","","1.093","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546249","19.133","0.002","9.457","0.0007","22.775","0.002","90","","111.465","0.012","90","","3835.1","0.7","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 K2 O12 S6 -","- C26 H48 K2 O12 S6 -","- C104 H192 K8 O48 S24 -","4","1","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.1504","0.0829","","","0.209","0.2432","","","","","","0.907","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546250","13.827","0.0003","24.6484","0.0005","14.3945","0.0004","90","","99.042","0.003","90","","4844.9","0.2","140","2","140","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H152 K N2 O22 S3 Si4 U -","- C74 H152 K N2 O22 S3 Si4 U -","- C148 H304 K2 N4 O44 S6 Si8 U2 -","2","1","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0722","0.0627","","","0.1516","0.1607","","","","","","1.052","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546251","11.49295","0.00019","22.2749","0.0004","14.299","0.0002","90","","91.1028","0.0014","90","","3659.93","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 Cl6 F2 N P Pt -","- C39 H30 Cl6 F2 N P Pt -","- C156 H120 Cl24 F8 N4 P4 Pt4 -","4","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0352","0.0255","","","0.049","0.0519","","","","","","1.049","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546252","12.1213","0.0008","12.1909","0.0007","12.2729","0.0008","68.816","0.006","69.917","0.006","64.636","0.006","1489.24","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 F2 N P Pt -","- C38 H30 F2 N P Pt -","- C76 H60 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.0303","0.0294","","","0.0762","0.0772","","","","","","1.032","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546253","11.3911","0.0003","11.7933","0.0004","12.863","0.0003","100.845","0.002","97.595","0.002","117.163","0.003","1462.19","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29 Cl F2 N P Pt -","- C38 H29 Cl F2 N P Pt -","- C76 H58 Cl2 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.0301","0.0257","","","0.06","0.0619","","","","","","1.019","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546254","23.6952","0.0004","14.2502","0.0003","27.6824","0.0005","90","","103.199","0.0019","90","","9100.3","0.3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 Cl10 F2 N O P Pt -","- C42 H34 Cl10 F2 N O P Pt -","- C336 H272 Cl80 F16 N8 O8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0513","0.0404","","","0.0951","0.1033","","","","","","1.039","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546255","14.61871","0.00018","17.9381","0.0003","28.6293","0.0004","90","","98.6391","0.0012","90","","7422.34","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C323.2 H265.6 Cl33.6 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0646","0.0393","","","0.087","0.0958","","","","","","1.041","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546256","10.06885","0.00009","10.97968","0.00011","17.46056","0.00018","107.638","0.0009","97.2289","0.0009","105.26","0.0008","1729.77","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl4 F2 N P Pt -","- C39 H30 Cl4 F2 N P Pt -","- C78 H60 Cl8 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","1.54184","CuKα","","0.02","0.0198","","","0.0488","0.0489","","","","","","1.041","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546257","8.51403","0.00011","10.31938","0.00018","18.7511","0.0003","83.1662","0.0013","79.6553","0.0012","76.3618","0.0013","1569.92","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 Cl F2 N P Pt -","- C38 H31 Cl F2 N P Pt -","- C76 H62 Cl2 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.025","0.021","","","0.0422","0.0435","","","","","","1.017","","","","has coordinates","197543","2020-10-21","18:00:00",""
"1546258","17.6377","0.0002","25.6594","0.0002","43.3649","0.0005","90","","90.376","0.001","90","","19625.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C199 H154 Ag19 Cl10 F18 P6 Sb3 -","- C199 H154 Ag19 Cl10 F18 P6 Sb3 -","- C796 H616 Ag76 Cl40 F72 P24 Sb12 -","4","1","","Yuan, Shang-Fu; Li, Pei; Tang, Qing; Wan, Xian-Kai; Nan, Zi-Ang; Jiang, De-en; Wang, Quan-Ming","Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel","Nanoscale","2017","","","","","10.1039/C7NR02687K","","","1.54178","CuKα","","0.1029","0.0848","","","0.2178","0.2337","","","","","","1.055","","","","has coordinates","197555","2020-10-21","18:00:00",""
"1546259","26.6041","0.0002","34.2294","0.0002","57.2156","0.0005","90","","92.508","0.001","90","","52053","0.7","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C536 H464 Ag50 Cl4 F36 O40 P12 Sb6 -","- C536 Ag50 Cl4 F36 O40 P12 Sb6 -","- C2144 Ag200 Cl16 F144 O160 P48 Sb24 -","4","1","","Yuan, Shang-Fu; Li, Pei; Tang, Qing; Wan, Xian-Kai; Nan, Zi-Ang; Jiang, De-en; Wang, Quan-Ming","Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel","Nanoscale","2017","","","","","10.1039/C7NR02687K","","","1.54178","CuKα","","0.1526","0.1156","","","0.2645","0.284","","","","","","1.017","","","","has coordinates,has disorder","197555","2020-10-21","18:00:00",""
"1546260","11.576","0.005","7.98","0.003","21.461","0.005","90","","119.29","0.02","90","","1729","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 N2 O4 Pt -","- C12 H20 Cl2 N2 O4 Pt -","- C48 H80 Cl8 N8 O16 Pt4 -","4","1","","de Carvalho, Nélson R.; Rodrigues, Nathane R.; Macedo, Giulianna E.; Bristot, Ivi J.; Boligon, Aline A.; de Campos, Marli M.; Cunha, Francisco A. B.; Coutinho, Henrique D.; Klamt, Fabio; Merritt, Thomas J. S.; Posser, Thaís; Franco, Jeferson L.","Eugenia uniflora leaf essential oil promotes mitochondrial dysfunction in Drosophila melanogaster through the inhibition of oxidative phosphorylation","Toxicol. Res.","2017","","","","","10.1039/C7TX00072C","","","0.71073","MoKα","","0.0325","0.0308","","","0.0826","0.0853","","","","","","1.097","","","","has coordinates,has disorder","197561","2020-10-21","18:00:00",""
"1546261","28.685","0.015","6.783","0.003","13.975","0.007","90","","94.175","0.007","90","","2712","2","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4(N,N-Dimethylamino)pyridinium 3-Nitrobenzoate","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0403","0.0383","","","0.1097","0.1119","","","","","","1.099","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546262","28.86","0.02","6.791","0.005","14.243","0.01","90","","95.4097","0.001","90","","2779","3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4(N,N-Dimethylamino)pyridinium 3-Nitrobenzoate","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0564","0.0498","","","0.1347","0.1414","","","","","","1.081","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546263","8.439","0.006","14.091","0.009","12.167","0.008","90","","95.5","0.011","90","","1440.2","1.7","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Ethylpyridinium 3,5-Dinitrobenzoate","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C56 H52 N12 O24 -","4","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0426","0.04","","","0.1134","0.1248","","","","","","1.143","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546264","8.574","0.009","14.346","0.015","12.19","0.013","90","","94.44","0.013","90","","1495","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Ethylpyridinium 3,5-Dinitrobenzoate","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C56 H52 N12 O24 -","4","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0626","0.0555","","","0.1606","0.1737","","","","","","1.135","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546265","6.631","0.005","7.032","0.006","14.216","0.012","87.967","0.017","88.58","0.03","80.207","0.018","652.7","0.9","110","","110","","","","","","","","","4","P -1","-P 1","2","3-Ethylpyridine 4-Nitrobenzoic acid","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0477","0.0427","","","0.1203","0.1338","","","","","","1.105","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546266","6.7302","0.0016","7.1859","0.0017","14.298","0.003","88.158","0.006","88.34","0.006","78.636","0.005","677.4","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","3-Ethylpyridine 4-Nitrobenzoic acid","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.1077","0.0646","","","0.1644","0.1894","","","","","","1.037","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546267","7.316","0.006","8.942","0.008","11.763","0.009","70.15","0.04","84.67","0.04","76.24","0.04","703","1","110","","110","","","","","","","","","5","P -1","-P 1","2","4-Methylpyridinium Pentachlorophenolate","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0494","0.0402","","","0.1228","0.1513","","","","","","1.299","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546268","7.389","0.008","8.922","0.008","12.014","0.012","69.82","0.03","85.61","0.04","76.26","0.04","722.1","1.3","298","","298","","","","","","","","","5","P -1","-P 1","2","4-Methylpyridinium Pentachlorophenolate","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0726","0.0505","","","0.1613","0.1943","","","","","","1.155","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546269","7.3382","0.0008","8.8986","0.0009","11.8245","0.0011","69.945","0.005","85.055","0.005","76.133","0.005","704.17","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","4-Methylpyridine Pentachlorophenol","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0614","0.0396","","","0.0964","0.1034","","","","","","1.102","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546270","7.3857","0.0008","8.9202","0.001","12.0227","0.0012","69.77","0.003","85.869","0.003","76.324","0.004","722.1","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","4-Methylpyridine Pentachlorophenol","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0936","0.0466","","","0.1136","0.1288","","","","","","1.04","","","","has coordinates","197562","2020-10-21","18:00:00",""
"1546272","14.953","0.002","15.734","0.003","17.704","0.003","78.652","0.003","66.812","0.003","72.621","0.003","3639.1","1.1","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H20 -","- C40 H20 -","- C240 H120 -","6","3","","Nobusue, Shunpei; Fujita, Kazuya; Tobe, Yoshito","Skeletal Rearrangement of Twisted Polycyclic Aromatic Hydrocarbons under Scholl Reaction Conditions.","Organic letters","2017","19","12","3227","3230","10.1021/acs.orglett.7b01341","","","0.71075","MoKα","","0.166","0.0929","","","0.2182","0.2703","","","","","","1.032","","","","has coordinates,has disorder","198430","2020-10-21","18:00:00",""
"1546273","11.3407","0.0015","9.2307","0.0014","12.6634","0.0017","90","","109.296","0.006","90","","1251.2","0.3","223","2","223.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Kim, Jungwon; Hong, Soon Hyeok","Dual Activation of Nucleophiles and Electrophiles by N-Heterocyclic Carbene Organocatalysis: Chemoselective N-Imination of Indoles with Isocyanides.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01377","","","0.71073","MoKα","","0.0978","0.0502","","","0.1103","0.1309","","","","","","1.038","","","","has coordinates","197587","2020-10-21","18:00:00",""
"1546274","11.7785","0.0012","8.8637","0.0005","13.5121","0.001","90","","111.79","0.011","90","","1309.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Chen, Fei; Zhu, Fei-Fei; Zhang, Man; Liu, Rui-Hua; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Oxycyanation and Aminocyanation of Unactivated Alkenes: Synthesis of Cyano-Featured Isoxazolines and Cyclic Nitrones.","Organic letters","2017","19","12","3255","3258","10.1021/acs.orglett.7b00826","","","0.7107","MoKα","","0.1208","0.0634","","","0.1262","0.1648","","","","","","1.033","","","","has coordinates","198436","2020-10-21","18:00:00",""
"1546275","9.0291","0.0001","35.3591","0.0005","14.1581","0.0002","90","","97.671","0.0009","90","","4479.68","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","BDT2PT","","- C44 H51 B Br2 N6 O2 S4 -","- C44 H51 B Br2 N6 O2 S4 -","- C176 H204 B4 Br8 N24 O8 S16 -","4","1","","Yin, Xiaodong; Liu, Kanglei; Ren, Yi; Lalancette, Roger A.; Loo, Yueh-Lin; Jäkle, Frieder","Pyridalthiadiazole acceptor-functionalized triarylboranes with multi-responsive optoelectronic characteristics","Chem. Sci.","2017","","","","","10.1039/C6SC03097A","","","1.54178","CuKα","","0.0567","0.0514","","","0.1351","0.1391","","","","","","1.051","","","","has coordinates,has disorder","197636","2020-10-21","18:00:00",""
"1546278","15.5228","0.0002","7.4794","0.0001","17.7719","0.0003","90","","110.099","0.002","90","","1937.68","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","170401NO","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.12","0.1212","","","","","","1.073","","","","has coordinates","198432","2020-10-21","18:00:00",""
"1546279","7.1051","0.0001","12.3289","0.0002","21.5929","0.0003","90","","90","","90","","1891.5","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3a","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","x-ray","1.54184","CuKα","","0.0393","0.0375","","","0.1016","0.1038","","","","","","0.977","","","","has coordinates","198432","2020-10-21","18:00:00",""
"1546280","9.675","0.004","22.388","0.008","9.675","0.004","90","","118.2","","90","","1846.9","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Wu, Xia; Zhao, Peng; Geng, Xiao; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","Direct Oxidative Cleavage of Multiple Csp(3)-H Bonds and a C-C Bond in 2-(Pyridin-2-yl)acetate Derivatives: Formal [3 + 1 + 1] Synthesis of 3-(Pyridin-2-yl)indolizine Skeletons.","Organic letters","2017","19","12","3319","3322","10.1021/acs.orglett.7b01492","","","0.71073","MoKα","","0.0848","0.0504","","","0.1462","0.1592","","","","","","0.918","","","","has coordinates","198435","2020-10-21","18:00:00",""
"1546281","11.585","0.005","14.556","0.007","11.74","0.005","90","","94.733","0.006","90","","1973","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Wu, Xia; Zhao, Peng; Geng, Xiao; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","Direct Oxidative Cleavage of Multiple Csp(3)-H Bonds and a C-C Bond in 2-(Pyridin-2-yl)acetate Derivatives: Formal [3 + 1 + 1] Synthesis of 3-(Pyridin-2-yl)indolizine Skeletons.","Organic letters","2017","19","12","3319","3322","10.1021/acs.orglett.7b01492","","","0.71073","MoKα","","0.0507","0.0414","","","0.1068","0.116","","","","","","0.995","","","","has coordinates","198435","2020-10-21","18:00:00",""
"1546282","11.1514","0.0003","11.5496","0.0003","14.0875","0.0004","75.291","0.001","76.244","0.001","74.695","0.001","1664.09","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 B F2 N3 O4 -","- C37 H34 B F2 N3 O4 -","- C74 H68 B2 F4 N6 O8 -","2","1","","Cherumukkil, Sandeep; Ghosh, Samrat; Vakayil Karthikeyan, Praveen; Ajayaghosh, Ayyappanpillai","An Unprecedented Amplification of Near-Infrared Emission in a Bodipy Derived π-System by Stress or Gelation","Chem. Sci.","2017","","","","","10.1039/C7SC01696D","","","0.71073","MoKα","","0.0666","0.0443","","","0.126","0.1528","","","","","","1.079","","","","has coordinates","197671","2020-10-21","18:00:00",""
"1546284","14.273","0.003","7.351","0.0015","24.745","0.005","90","","100.76","0.03","90","","2550.6","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O6 -","- C30 H26 O6 -","- C120 H104 O24 -","4","1","","Huang, Zhusheng; Yang, Xiuqin; Yang, Fulai; Lu, Tao; Zhou, Qingfa","Phosphine-Catalyzed Domino β/γ-Additions of Benzofuranones with Allenoates: A Method for Unsymmetrical 3,3-Disubstituted Benzofuranones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01482","","","0.71073","MoKα","","0.1995","0.0906","","","0.1793","0.2215","","","","","","1.039","","","","has coordinates","197722","2020-10-21","18:00:00",""
"1546285","11.222","0.005","17.755","0.008","11.216","0.005","90","","96.775","0.008","90","","2219.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O6 S -","- C25 H29 N O6 S -","- C100 H116 N4 O24 S4 -","4","1","","Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang","Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.","Organic letters","2017","19","13","3516","3519","10.1021/acs.orglett.7b01486","","","0.71073","MoKα","","0.1809","0.0759","","","0.1553","0.2012","","","","","","1","","","","has coordinates","200736","2020-10-21","18:00:00",""
"1546286","26.256","0.005","21.16","0.004","10.086","0.002","90","","90","","90","","5603.5","1.9","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C45 H42 Ag4 F9 I N14 O10 S3 -","- C45 H42 Ag4.001 F9 I N14 O10 S3 -","- C180 H168 Ag16.004 F36 I4 N56 O40 S12 -","4","0.5","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.1011","0.0835","","","0.1377","0.1439","","","","","","1.209","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546287","24.864","0.005","10.112","0.002","24.94","0.005","90","","114.19","0.03","90","","5720","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Ag4 Cl F9 N14 O10 S3 -","- C46 H46 Ag4 Cl F9 N14 O10 S3 -","- C184 H184 Ag16 Cl4 F36 N56 O40 S12 -","4","1","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.1138","0.0962","","","0.1793","0.1894","","","","","","1.225","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546288","10.277","0.002","17.015","0.003","19.143","0.004","91.21","0.03","102.96","0.03","90.15","0.03","3261.3","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H52 Ag5 Br F12 N14 O17 S4 -","- C46 H52 Ag5 Br F12 N14 O17 S4 -","- C92 H104 Ag10 Br2 F24 N28 O34 S8 -","2","1","","Zhang, Qiong-You; He, Xin; Zhao, Liang","Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction","Chem. Sci.","2017","","","","","10.1039/C7SC00575J","","","0.71073","MoKα","","0.0492","0.0442","","","0.1045","0.1083","","","","","","1.068","","","","has coordinates,has disorder","197727","2020-10-21","18:00:00",""
"1546289","8.2828","0.0004","8.9132","0.0004","9.1524","0.0004","88.129","0.002","79.474","0.002","86.662","0.002","663.02","0.05","100","2","100","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H44 -","- C36 H44 -","- C36 H44 -","1","0.5","","Hein, Samuel J.; Lehnherr, Dan; Dichtel, William","Rapid Access to Substituted 2-Naphthyne Intermediates via the Benzannulation of Halogenated Silylacetylenes","Chem. Sci.","2017","","","","","10.1039/C7SC01625E","","","0.71073","MoKα","","0.0495","0.0481","","","0.1353","0.1367","","","","","","1.075","","","","has coordinates","197728","2020-10-21","18:00:00",""
"1546290","7.1961","0.0004","7.4763","0.0004","26.1123","0.0014","90","","95.1754","0.0014","90","","1399.12","0.13","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Br2 Si -","- C13 H14 Br2 Si -","- C52 H56 Br8 Si4 -","4","1","","Hein, Samuel J.; Lehnherr, Dan; Dichtel, William","Rapid Access to Substituted 2-Naphthyne Intermediates via the Benzannulation of Halogenated Silylacetylenes","Chem. Sci.","2017","","","","","10.1039/C7SC01625E","","","0.71073","MoKα","","0.0256","0.0193","","","0.0416","0.0431","","","","","","1.036","","","","has coordinates","197728","2020-10-21","18:00:00",""
"1546293","8.1504","0.0004","14.5588","0.0006","10.2533","0.0005","90","","101.286","0.003","90","","1193.13","0.1","100","2","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl2 N2 Ni O P2 -","- C20 H34 Cl2 N2 Ni O P2 -","- C40 H68 Cl4 N4 Ni2 O2 P4 -","2","1","","Desrosiers, Jean-Nicolas; Wen, Jialin; Tcyrulnikov, Sergei; Biswas, Soumik; Qu, Bo; Hie, Liana; Kurouski, Dmitry; Wu, Ling; Grinberg, Nelu; Haddad, Nizar; Busacca, Carl A.; Yee, Nathan K.; Song, Jinhua J.; Garg, Neil K.; Zhang, Xumu; Kozlowski, Marisa C.; Senanayake, Chris H.","Enantioselective Nickel-Catalyzed Mizoroki‒Heck Cyclizations To Generate Quaternary Stereocenters","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01054","","","1.54184","CuKα","","0.0207","0.0202","","","0.0484","0.0486","","","","","","1.023","","","","has coordinates","197744","2020-10-21","18:00:00",""
"1546294","14.0045","0.0003","12.0323","0.0002","17.8455","0.0004","90","","100.017","0.002","90","","2961.24","0.11","180.1","0.14","180.1","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Br N O5 S -","- C29 H40 Br N O5 S -","- C116 H160 Br4 N4 O20 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0797","0.0806","","","","","","1.06","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546295","8.58394","0.00013","10.36548","0.00013","19.8233","0.0003","96.6637","0.0011","102.379","0.0013","102.18","0.0012","1659.82","0.04","210","0.14","210","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O7 S -","- C32 H42 N2 O7 S -","- C64 H84 N4 O14 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","","1.54184","CuKα","","0.0412","0.0362","","","0.0994","0.1054","","","","","","1.018","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546296","8.3686","0.0004","10.3246","0.0004","12.66","0.0005","70.135","0.003","77.897","0.003","68.067","0.004","950","0.08","180.1","0.9","180.1","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C40 H50 N2 O6 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.051","0.0486","","","0.141","0.1437","","","","","","1.039","","","","has coordinates,has disorder","197752","2020-10-21","18:00:00",""
"1546297","17.4991","0.0002","5.6744","0.00006","20.5923","0.0003","90","","107.156","0.0013","90","","1953.77","0.04","181","2","181","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N O4 S -","- C19 H29 N O4 S -","- C76 H116 N4 O16 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1005","0.105","","","","","","1.051","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546298","9.20537","0.00016","23.7526","0.0005","14.5525","0.0003","90","","92.7036","0.0016","90","","3178.38","0.11","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O7 S -","- C32 H42 N2 O7 S -","- C128 H168 N8 O28 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0507","0.0481","","","0.1176","0.1196","","","","","","1.024","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546299","11.0583","0.0003","12.1489","0.0003","13.6776","0.0003","90","","98.545","0.002","90","","1817.14","0.08","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0431","0.0409","","","0.1118","0.1141","","","","","","1.04","","","","has coordinates","197752","2020-10-21","18:00:00",""
"1546300","10.6084","0.0006","10.72","0.0005","10.8762","0.0007","117.6","0.006","110.658","0.005","94.009","0.004","984.19","0.13","179","2","179","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Guarnieri-Ibáñez, Alejandro; Medina, Florian; Besnard, Céline; Kidd, Sarah L.; Spring, David R.; Lacour, Jerome","Diversity-Oriented Synthesis of Heterocycles and Macrocycles by Controlled Reactions of Oxetanes with α-Iminocarbenes","Chem. Sci.","2017","","","","","10.1039/C7SC00964J","","x-ray","1.54184","CuKα","","0.0485","0.0413","","","0.1124","0.1187","","","","","","1.039","","","","has coordinates,has disorder","197752","2020-10-21","18:00:00",""
"1546301","6.1914","0.0002","19.1212","0.0005","33.9479","0.001","90","","90","","90","","4019","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0381","0.0316","","","0.0682","0.0709","","","","","","1.035","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546302","11.0876","0.0005","13.0214","0.0006","28.1322","0.0014","90","","90","","90","","4061.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0273","0.0264","","","0.0641","0.0646","","","","","","1.109","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546305","7.0397","0.0002","9.0581","0.0003","15.2974","0.0005","90","","90","","90","","975.46","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0311","0.0305","","","0.0823","0.0827","","","","","","1.503","","","","has coordinates","200751","2020-10-21","18:00:00",""
"1546306","13.0555","0.0003","9.4842","0.0002","8.191","0.0002","90","","94.6099","0.0009","90","","1010.94","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0297","0.0275","","","0.0754","0.0773","","","","","","1.034","","","","has coordinates","200751","2020-10-21","18:00:00",""
"1546307","5.332","0.003","19.341","0.009","14.278","0.007","90","","93.816","0.009","90","","1469.2","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Duan, Xiyan; Yang, Kun; Lu, Jun; Kong, Xianglei; Liu, Ning; Ma, Junying","Base-Mediated Cascade Substitution-Cyclization of 2H-Azirines: Access to Highly Substituted Oxazoles.","Organic letters","2017","19","13","3370","3373","10.1021/acs.orglett.7b01305","","","0.71073","MoKα","","0.0691","0.0422","","","0.0986","0.1128","","","","","","1.039","","","","has coordinates","200753","2020-10-21","18:00:00",""
"1546308","7.5151","0.0037","35.334","0.0164","11.4224","0.0055","90","","90.44","","90","","3033","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N2 Ni O2 S4 -","- C35 H28 N2 Ni O2 S4 -","- C140 H112 N8 Ni4 O8 S16 -","4","1","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0852","0.057","","","0.1216","0.1331","","","","","","1.055","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546309","29.325","0.016","20.484","0.011","9.653","0.005","90","","90","","90","","5798","5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H64 Cl0 Cu N2 O2 S6 -","- C59 H64 Cu N2 O2 S6 -","- C236 H256 Cu4 N8 O8 S24 -","4","0.5","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.1139","0.1134","","","0.326","0.3267","","","","","","1.365","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546310","8.868","0.002","19.809","0.005","33.077","0.009","90","","102.154","0.007","90","","5680","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H58 Cl2 N2 Ni O2 S6 -","- C60 H58 Cl2 N2 Ni O2 S6 -","- C240 H232 Cl8 N8 Ni4 O8 S24 -","4","1","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0958","0.0945","","","0.2432","0.2444","","","","","","1.216","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546311","5.7227","0.0018","12.3378","0.0037","33.1425","0.0107","90","","90","","90","","2340","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 S2 -","- C26.86 H25.895 N2 O2 S1.965 -","- C107.44 H103.58 N8 O8 S7.86 -","4","1","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0759","0.0645","","","0.1613","0.1703","","","","","","0.92","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546312","8.936","0.0018","11.6472","0.0025","31.5458","0.0069","90","","93.75","","90","","3276.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H62 Co2 N6 O6 S8 -","- C74 H62 Co2 N6 O6 S8 -","- C148 H124 Co4 N12 O12 S16 -","2","0.5","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0643","0.0628","","","0.1438","0.1448","","","","","","1.226","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546313","22.549","0.002","5.7466","0.0005","11.4612","0.0012","90","","105.767","0.006","90","","1429.3","0.2","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","Fiaud's acid","(2R,5R)-1-hydroxy-2,5-diphenylphospholane 1-oxide","","- C16 H17 O2 P -","- C16 H17 O2 P -","- C64 H68 O8 P4 -","4","1","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.0442","0.0388","","","0.1013","0.1177","","","","","","1.178","","","","has coordinates","200735","2020-10-21","18:00:00",""
"1546314","11.62","0.005","12.325","0.005","15.818","0.005","90","0.005","97.163","0.005","90","0.005","2247.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C116 H96 N8 O8 S4 -","4","1","","Pradhan, Sajan; Shahi, Chandan Kumar; Bhattacharyya, Aditya; Chauhan, Navya; Ghorai, Manas K.","Syntheses of Tetrahydrobenzoazepinoindoles and Dihydrobenzodiazepinoindoles via Ring-Opening Cyclization of Activated Aziridines with 2-(2-Bromophenyl)-1H-indoles.","Organic letters","2017","19","13","3438","3441","10.1021/acs.orglett.7b01397","","","0.71073","MoKα","","0.0644","0.0412","","","0.1045","0.1277","","","","","","1.151","","","","has coordinates","200744","2020-10-21","18:00:00",""
"1546315","15.766","0.002","11.5833","0.0016","17.044","0.002","90","","90","","90","","3112.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0733","0.0476","","","0.1132","0.1274","","","","","","1.027","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546316","7.367","0.005","19.893","0.015","20.426","0.015","90","","90","","90","","2993","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0829","0.0656","","","0.1951","0.214","","","","","","1.078","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546317","29.348","0.0019","29.348","0.0019","5.4131","0.0004","90","","90","","120","","4037.7","0.5","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C26 H34 Cl N O5 S -","- C26 H34 Cl N O5 S -","- C156 H204 Cl6 N6 O30 S6 -","6","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71075","MoKα","K-L~3~","0.2199","0.1018","","","0.207","0.2642","","","","","","1.005","","","","has coordinates,has disorder","200754","2020-10-21","18:00:00",""
"1546318","6.08925","0.00015","10.1967","0.0002","21.7891","0.0007","90","","90","","90","","1352.89","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.0436","0.0377","","","0.0825","0.0855","","","","","","1.023","","","","has coordinates","200754","2020-10-21","18:00:00",""
"1546319","6.4385","0.0007","17.461","0.002","19.3045","0.0016","90","","90","","90","","2170.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl N O4 S -","- C20 H28 Cl N O4 S -","- C80 H112 Cl4 N4 O16 S4 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.1958","0.1323","","","0.3192","0.3642","","","","","","1.066","","","","has coordinates","200754","2020-10-21","18:00:00",""
"1546320","9.8797","0.0006","10.1848","0.0004","10.9733","0.0005","78.19","0.004","86.738","0.004","83.332","0.004","1072.86","0.09","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H19 Bi F3 N O3 S -","- C22 H19 Bi F3 N O3 S -","- C44 H38 Bi2 F6 N2 O6 S2 -","2","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.03","0.0266","","","0.0503","0.0516","","","","","","1.037","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546321","9.634","0.0004","10.1839","0.0006","19.5747","0.001","91.79","0.004","104.227","0.004","93.993","0.004","1854.76","0.17","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Bi N2 O3 -","- C21 H19 Bi N2 O3 -","- C84 H76 Bi4 N8 O12 -","4","2","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.056","0.0459","","","0.0891","0.0933","","","","","","1.075","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546322","9.567","0.003","18.155","0.005","12.596","0.004","90","","110.952","0.005","90","","2043.1","1.1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Bi N2 O3 -","- C22 H21 Bi N2 O3 -","- C88 H84 Bi4 N8 O12 -","4","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.0502","0.0365","","","0.0726","0.0782","","","","","","1.07","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546323","12.068","0.0011","14.0151","0.0013","15.1158","0.0014","90","","91.579","0.002","90","","2555.6","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Bi N O3 S -","- C29 H26 Bi N O3 S -","- C116 H104 Bi4 N4 O12 S4 -","4","1","","Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I.","Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00521K","","","0.71073","MoKα","","0.0466","0.033","","","0.0655","0.0689","","","","","","0.973","","","","has coordinates","197829","2020-10-21","18:00:00",""
"1546326","6.958","0.004","8.66","0.005","11.304","0.006","106.451","0.009","92.498","0.01","100.27","0.009","639.6","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H10 O3 -","- C19 H10 O3 -","- C38 H20 O6 -","2","1","","Han, Jie; Wang, Tao; Liang, Yong; Li, Ying; Li, Chenchen; Wang, Rui; Feng, Siqi; Zhang, Zunting","Transition-Metal-Free Photoinduced Intramolecular Annulation of 2,3-Di(hetero)arylchromen-4-one","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01531","","","0.71073","MoKα","","0.1562","0.1112","","","0.2996","0.3479","","","","","","1.034","","","","has coordinates","197863","2020-10-21","18:00:00",""
"1546327","9.4731","0.0013","12.733","0.0018","18.302","0.003","73.8","0.002","79.595","0.002","73.498","0.002","2020.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","2","","Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.","Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.","Organic letters","2017","19","13","3346","3349","10.1021/acs.orglett.7b01161","","","0.71073","MoKα","","0.0992","0.0548","","","0.1231","0.1414","","","","","","1.039","","","","has coordinates,has disorder","200738","2020-10-21","18:00:00",""
"1546328","8.9205","0.0007","9.2312","0.0006","24.273","0.002","90","","90","","90","","1998.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun","Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.","Organic letters","2017","19","13","3660","3663","10.1021/acs.orglett.7b01668","","","0.71073","MoKα","","0.0544","0.0393","","","0.0821","0.0921","","","","","","1.076","","","","has coordinates","200752","2020-10-21","18:00:00",""
"1546329","6.3642","0.0005","16.7315","0.0016","18.611","0.0019","90","","96.317","0.007","90","","1969.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun","Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.","Organic letters","2017","19","13","3660","3663","10.1021/acs.orglett.7b01668","","","0.71073","MoKα","","0.0932","0.0596","","","0.1442","0.1745","","","","","","1.011","","","","has coordinates,has disorder","200752","2020-10-21","18:00:00",""
"1546330","23.536","0.012","42.75","0.02","5.126","0.003","90","","90","","90","","5158","5","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H10 N2 O3 -","- C16 H10 N2 O3 -","- C256 H160 N32 O48 -","16","1","","Tripathi, Chandra Bhushan; Ohtani, Tsuyoshi; Corbett, Michael T.; Ooi, Takashi","Photoredox ketone catalysis for the direct C‒H imidation and acyloxylation of arenes","Chem. Sci.","2017","","","","","10.1039/C7SC01700F","","","0.71075","MoKα","","0.0438","0.0372","","","0.0805","0.0816","","","","","","0.889","","","","has coordinates","197868","2020-10-21","18:00:00",""
"1546332","11.8865","0.0019","8.4071","0.0019","22.8768","0.0018","90","0.014","100.158","0.01","90","0.016","2250.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O -","- C27 H28 N2 O -","- C108 H112 N8 O4 -","4","1","","Hu, Xinwei; Chen, Xun; Zhu, Yong; Deng, Yuanfu; Zeng, Huaqiang; Jiang, Huanfeng; Zeng, Wei","Rh(III)-Catalyzed Carboamination of Propargyl Cycloalkanols with Arylamines via Csp2‒H/Csp3‒Csp3 Activation","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01372","","","1.54178","CuKα","","0.095","0.082","","","0.2222","0.2349","","","","","","1.075","","","","has coordinates","197892","2020-10-21","18:00:00",""
"1546333","12.609","0.003","12.998","0.003","18.154","0.004","81.932","0.007","84.577","0.007","82.253","0.007","2910.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N4 O6 Pd2 -","- C26 H36 N4 O6 Pd2 -","- C104 H144 N16 O24 Pd8 -","4","2","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0887","0.051","","","0.0998","0.1112","","","","","","1.026","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546334","28.337","0.005","13.971","0.003","14.982","0.003","90","","102.276","0.005","90","","5796","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 F12 I12 N4 Pd2 -","- C38 H34 F12 I12 N4 Pd2 -","- C152 H136 F48 I48 N16 Pd8 -","4","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0406","0.0279","","","0.0562","0.0603","","","","","","1.069","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546335","7.8606","0.0004","15.71","0.0009","8.3499","0.0004","90","","108.607","0.0013","90","","977.23","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23.6 Cl2.4 N2 Pd2 -","- C18 H23.6 Cl2.4 N2 Pd2 -","- C36 H47.2 Cl4.8 N4 Pd4 -","2","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0529","0.0419","","","0.0876","0.0907","","","","","","1.29","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546336","10.3725","0.001","8.0905","0.0008","14.2505","0.0013","90","","90.468","0.002","90","","1195.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl8 N2 Pd -","- C18 H24 Cl8 N2 Pd -","- C36 H48 Cl16 N4 Pd2 -","2","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0677","0.0435","","","0.1038","0.1154","","","","","","1.096","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546337","9.2657","0.0011","29.63","0.004","19.311","0.003","90","","90","","90","","5301.7","1.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C43 H58 F6 N4 O6 Pd2 -","- C43 H58 F6 N4 O6 Pd2 -","- C172 H232 F24 N16 O24 Pd8 -","4","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0899","0.065","","","0.14","0.149","","","","","","1.05","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546338","19.2283","0.0014","17.6933","0.0014","18.9065","0.0015","90","","93.545","0.003","90","","6419.9","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 F6 N4 O6 Pd2 -","- C28 H34 F6 N4 O6 Pd2 -","- C224 H272 F48 N32 O48 Pd16 -","8","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0265","0.0213","","","0.0498","0.0522","","","","","","1.074","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546339","9.318","0.0004","9.8627","0.0004","40.0507","0.0019","90","","90","","90","","3680.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 N5 O6 Pd2 -","- C32 H41 F6 N5 O6 Pd2 -","- C128 H164 F24 N20 O24 Pd8 -","4","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0728","0.0435","","","0.0576","0.062","","","","","","1.046","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546340","19.2982","0.0005","16.418","0.0005","19.703","0.0006","90","","96.739","0.001","90","","6199.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 Cl N4 O6 Pd2 -","- C26 H35 Cl N4 O6 Pd2 -","- C208 H280 Cl8 N32 O48 Pd16 -","8","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","x-ray","0.41328","synchrotron","","0.0663","0.0402","","","0.0831","0.0921","","","","","","1.022","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1546341","7.6908","0.0005","13.0776","0.0008","7.1107","0.0004","90","","90.8831","0.0014","90","","715.09","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0137","0.0115","","","0.0247","0.0253","","","","","","1.137","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1546342","22.7963","0.0011","14.7612","0.0008","21.9272","0.0012","90","","108.118","0.002","90","","7012.7","0.6","173","2","172.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H46 B18 N8 O70 V12 -","- C8 H46 B18 N8 O70 V12 -","- C32 H184 B72 N32 O280 V48 -","4","0.5","","Liu, Xinxin; Zhang, Dan; Li, Lingyun; Sun, Xuejiao; Zhang, Le; Yuan, Hongming","Proton conduction in a new 3-D open-framework vanadoborate with an abundant hydrogen bond system","Dalton Transactions","2017","46","28","9103","9109","10.1039/C7DT01334E","","","0.71073","MoKα","","0.054","0.0454","","","0.1128","0.1191","","","","","","1.035","","","","has coordinates,has disorder","282777","2023-04-20","11:56:46",""
"1546343","7.5017","0.0003","9.5304","0.0012","9.809","0.0006","65.533","0.005","74.971","0.004","83.42","0.005","616.46","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","Catena-bis(mu3-Barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II)","","- C8 H10 Ba N4 O8 -","- C8 H10 Ba N4 O8 -","- C16 H20 Ba2 N8 O16 -","2","1","","L.A. Solovyov; N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov","Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2017","70","12","1984","1993","10.1080/00958972.2017.1319943","powder diffraction","x-ray","1.5406","","","0.014","","","","","","","0.02224","1.13913","","","","","","","has coordinates","197916","2020-10-21","18:00:00",""
"1546346","11.0842","0.0013","11.0842","0.0013","18.299","0.003","90","","90","","90","","2248.2","0.5","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0625","0.0484","","","0.1315","0.1505","","","","","","1.145","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546347","10.96009","0.00019","10.96009","0.00019","18.3921","0.0006","90","","90","","90","","2209.32","0.09","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0631","0.0479","","","0.1116","0.1243","","","","","","1.1","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546348","11.148","0.002","11.148","0.002","19.893","0.004","90","","90","","90","","2472.3","0.8","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H52 Cl4 Fe4 N8 O8 -","- C40 H52 Cl4 Fe4 N8 O8 -","- C80 H104 Cl8 Fe8 N16 O16 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0357","0.0322","","","0.08","0.0819","","","","","","1.067","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546349","15.4001","0.0002","15.4001","0.0002","15.3253","0.0004","90","","90","","90","","3634.6","0.12","180.01","0.1","180.01","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C176 H32 F80 N16 Ni4 -","4","0.25","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","","0.71073","MoKα","","0.0432","0.0353","","","0.0874","0.0933","","","","","","1.098","","","","has coordinates","197954","2020-10-21","18:00:00",""
"1546350","15.3093","0.0002","15.3093","0.0002","15.8346","0.0004","90","","90","","90","","3711.23","0.12","180","0.2","180","0.2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C43 H3 F20 N4 Ni O2 -","- C43 H3 F20 N4 Ni O2 -","- C172 H12 F80 N16 Ni4 O8 -","4","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0374","0.0366","","","0.1056","0.1064","","","","","","1.048","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546351","20.0377","0.0005","20.0377","0.0005","24.6135","0.0009","90","","90","","120","","8558.5","0.4","179.9","0.4","179.9","0.4","","","","","","","","6","R -3","-R 3","148","","","","- C43 H5 F20 N4 Ni O2 -","- C43 H5 F20 N4 Ni O2 -","- C387 H45 F180 N36 Ni9 O18 -","9","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0756","0.0634","","","0.1342","0.1418","","","","","","1.161","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546353","7.2912","0.0009","8.1947","0.001","9.5912","0.0011","106.422","0.003","100.106","0.004","113.184","0.003","477.83","0.1","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H14 Mn2 N4 O6 -","- C18 H14 Mn2 N4 O6 -","- C18 H14 Mn2 N4 O6 -","1","0.5","","Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste","Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst.","Organic letters","2017","19","13","3656","3659","10.1021/acs.orglett.7b01657","","x-ray","0.71073","MoKα","","0.028","0.0262","","","0.0982","0.1075","","","","","","1.373","","","","has coordinates","200733","2020-10-21","18:00:00",""
"1546354","6.3432","0.0002","12.8646","0.0006","20.0976","0.0008","90","","90","","90","","1640.02","0.11","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 F3 N2 O4 S2 -","- C13 H15 F3 N2 O4 S2 -","- C52 H60 F12 N8 O16 S8 -","4","1","","Luo, Jie; Liu, Yannan; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Construction of Saturated Trifluoromethylthiolated Azaheterocycles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01392","","","0.71073","MoKα","","0.0568","0.0488","","","0.1125","0.1172","","","","","","1.0667","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546355","14.885","0.006","20.472","0.007","18.004","0.007","90","","91.102","0.013","90","","5485","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H82 N8 O13 -","- C47 H82 N8 O13 -","- C188 H328 N32 O52 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.4006","0.114","","","0.2096","0.3162","","","","","","0.919","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546356","9.289","0.004","20.701","0.008","10.602","0.006","90","","115.928","0.01","90","","1833.5","1.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C56 H104 N8 O24 -","4","2","","Reja, Rahi M.; Sunny, Sereena; Gopi, Hosahudya N.","Chemoselective Nitrile Oxide-Alkyne 1,3-Dipolar Cycloaddition Reactions from Nitroalkane-Tethered Peptides.","Organic letters","2017","19","13","3572","3575","10.1021/acs.orglett.7b01498","","","0.71073","MoKα","","0.2068","0.0713","","","0.1463","0.2022","","","","","","0.91","","","","has coordinates","199591","2020-10-21","18:00:00",""
"1546357","37.565","0.003","20.3058","0.0016","22.5109","0.0018","90","","118.616","0.002","90","","15074","2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[K(Kryptofix-2,2,2)][mBDCA-5t-5H]","","- C66 H101 K N10 O12 -","- C66 H101 K N10 O12 -","- C528 H808 K8 N80 O96 -","8","1","","Zhang, Shiyu; Nava, Matthew Jordan; Chow, Gary; Lopez, Nazario; Wu, Gang; Britt, R. David; Nocera, Daniel G.; Cummins, Christopher","On the incompatibility of lithium-O2 battery technology with CO2","Chem. Sci.","2017","","","","","10.1039/C7SC01230F","","","0.71073","MoKα","","0.0924","0.0552","","","0.1441","0.1568","","","","","","1.103","","","","has coordinates","198020","2020-10-21","18:00:00",""
"1546358","12.5747","0.0019","7.0541","0.0012","24.349","0.004","90","","90.098","0.008","90","","2159.8","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Me-TAxEDA","","","- C21 H33 Al2 N O -","- C21 H33 Al2 N O -","- C84 H132 Al8 N4 O4 -","4","1","","Ferrier, Robert; Imbrogno, Jennifer; Rodriguez, Christina; Chwatko, Malgorzata; Meyer, Paul William; Lynd, Nathaniel A.","Four-fold increase in epoxide polymerization rate with change of alkyl-substitution on mono-µ-oxo-dialuminum initiators","Polym. Chem.","2017","","","","","10.1039/C7PY00894E","","","0.71073","MoKα","","0.1208","0.0585","","","0.1084","0.1273","","","","","","0.99","","","","has coordinates","198026","2020-10-21","18:00:00",""
"1546359","21.17","0.004","13.038","0.003","28.359","0.006","90","","110.776","0.004","90","","7319","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","isobutyl-TAxEDA","tri(isobutyl)aluminum adduct of (2-dibenzylamino)ethoxy-di(isobutyl)aluminum","","- C36 H63 Al2 N O -","- C36 H63 Al2 N O -","- C288 H504 Al16 N8 O8 -","8","2","","Ferrier, Robert; Imbrogno, Jennifer; Rodriguez, Christina; Chwatko, Malgorzata; Meyer, Paul William; Lynd, Nathaniel A.","Four-fold increase in epoxide polymerization rate with change of alkyl-substitution on mono-µ-oxo-dialuminum initiators","Polym. Chem.","2017","","","","","10.1039/C7PY00894E","","","0.71073","MoKα","","0.1319","0.0928","","","0.2097","0.2279","","","","","","1.085","","","","has coordinates","198026","2020-10-21","18:00:00",""
"1546361","19.5843","0.001","20.1047","0.001","31.3508","0.0018","84.483","0.003","72.593","0.003","63.99","0.002","10576.8","1","173","","173.01","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H202 Ag24 P2 Pd S18 -","- C192 H179 Ag24 P2 Pd S18 -","- C384 H358 Ag48 P4 Pd2 S36 -","2","1","","Liu, Xu; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Li, Lingling; Bao, Xiaoli; Yang, Jinlong; Wu, Zhikun","Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms","The Journal of Physical Chemistry C","2017","121","25","13848","","10.1021/acs.jpcc.7b01730","","","1.54178","CuKα","","0.168","0.1465","","","0.4139","0.4417","","","","","","1.861","","","","has coordinates","198422","2020-10-21","18:00:00",""
"1546362","11.629","0.008","12.235","0.008","5.656","0.004","90","","90","","90","","804.7","1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0834","0.0724","","","0.1755","0.184","","","","","","1.079","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546363","6.823","0.0019","7.936","0.002","14.34","0.004","90","","97.758","0.007","90","","769.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 -","- C19 H22 N2 -","- C38 H44 N4 -","2","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0767","0.0551","","","0.1155","0.1263","","","","","","1.036","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546364","20.168","0.002","20.168","0.002","11.2557","0.0012","90","","90","","120","","3964.9","0.7","296","2","296.15","","","","","","","","","3","P 32","P 32","145","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C180 H234 N18 -","9","3","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.136","0.0526","","","0.126","0.1656","","","","","","0.96","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546365","7.30355","0.00009","7.30355","0.00009","7.30355","0.00009","90","","90","","90","","389.585","0.008","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.8Sr0.2Cu3Fe4O12 at 300 K","","","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca1.6 Cu6 Fe8 O24 Sr0.4 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198058","2020-10-21","18:00:00",""
"1546366","7.2763","0.00006","7.2763","0.00006","7.2763","0.00006","90","","90","","90","","385.24","0.006","","","20","","","","","","","","","5","P n -3","-P 2ab 2bc 3","201","Ca0.8Sr0.2Cu3Fe4O12 at 20 K","","","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca0.8 Cu3 Fe4 O12 Sr0.2 -","- Ca1.6 Cu6 Fe8 O24 Sr0.4 -","2","","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198059","2020-10-21","18:00:00",""
"1546367","7.31708","0.00017","7.31708","0.00017","7.31708","0.00017","90","","90","","90","","391.754","0.016","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.6Sr0.4Cu3Fe4O12 at 300 K","","","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198060","2020-10-21","18:00:00",""
"1546368","7.2942","0.0007","7.2942","0.0007","7.2942","0.0007","90","","90","","90","","388.09","0.06","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.6Sr0.4Cu3Fe4O12 at 20 K","","","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198061","2020-10-21","18:00:00",""
"1546369","7.33013","0.00014","7.33013","0.00014","7.33013","0.00014","90","","90","","90","","393.854","0.013","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.4Sr0.6Cu3Fe4O12 at 300 K","","","- Ca0.4 Cu3 Fe4 O12 Sr0.6 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198062","2020-10-21","18:00:00",""
"1546370","7.3364","0.00015","7.3364","0.00015","7.3364","0.00015","90","","90","","90","","394.865","0.014","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.4Sr0.6Cu3Fe4O12 at 20 K","","","- Ca0.4 Cu3 Fe4 O12 Sr0.6 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198063","2020-10-21","18:00:00",""
"1546371","7.34542","0.00015","7.34542","0.00015","7.34542","0.00015","90","","90","","90","","396.324","0.014","","","300","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.2Sr0.8Cu3Fe4O12 at 300 K","","","- Ca0.2 Cu3 Fe4 O12 Sr0.8 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198064","2020-10-21","18:00:00",""
"1546372","7.35387","0.00014","7.35387","0.00014","7.35387","0.00014","90","","90","","90","","397.693","0.013","","","20","","","","","","","","","5","I m -3","-I 2 2 3","204","Ca0.2Sr0.8Cu3Fe4O12 at 20 K","","","- Ca0.2 Cu3 Fe4 O12 Sr0.8 -","- Ca0.6 Cu3 Fe4 O12 Sr0.4 -","- Ca1.2 Cu6 Fe8 O24 Sr0.8 -","2","0.0416667","","Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.","Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12","Journal of Asian Ceramic Societies","2017","175","","5","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","198065","2020-10-21","18:00:00",""
"1546373","7.99","0.003","12.475","0.004","14.539","0.005","94.821","0.01","94.404","0.009","108.372","0.009","1362.3","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N4 O3 -","- C34 H31 N4 O3 -","- C68 H62 N8 O6 -","2","1","","Coman, Anca G.; Paraschivescu, Codruta C.; Paun, Anca; Diac, Andreea; Hădade, Niculina D.; Jouffret, Laurent; Gautier, Arnaud; Matache, Mihaela; Ionita, Petre","Synthesis of novel profluorescent nitroxides as dual luminescent-paramagnetic active probes","New Journal of Chemistry","2017","41","15","7472","7480","10.1039/C7NJ01698K","","","0.71073","MoKα","","0.0796","0.0437","","","0.0994","0.1163","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546374","10.1299","0.001","8.6369","0.0008","15.8434","0.0015","90","","93.226","0.002","90","","1384","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 Br2 O3 -","- C31 H28 Br2 O3 -","- C62 H56 Br4 O6 -","2","1","","Kotani, Shunsuke; Kai, Kosuke; Sugiura, Masaharu; Nakajima, Makoto","Sequential Catalysis of Phosphine Oxide for Stereoselective Synthesis of Stereopentads.","Organic letters","2017","19","13","3672","3675","10.1021/acs.orglett.7b01719","","","0.71075","MoKα","","0.1028","0.0593","","","0.1763","0.2072","","","","","","1.119","","","","has coordinates","200734","2020-10-21","18:00:00",""
"1546380","19.0662","0.001","5.923","0.0002","15.8955","0.0007","90","","110.623","0.006","90","","1680.03","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C84 H60 Br4 N8 -","4","1","","Tu, Yongliang; Zhang, Zhenming; Wang, Tao; Ke, Jiamei; Zhao, Junfeng","A Regioselective Approach to Trisubstituted Pyrazoles via Palladium-Catalyzed Oxidative Sonogashira-Carbonylation of Arylhydrazines","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01447","","x-ray","0.71073","MoKα","","0.0724","0.0411","","","0.0954","0.1086","","","","","","1.04","","","","has coordinates","198122","2020-10-21","18:00:00",""
"1546381","10.4274","0.0009","11.0126","0.001","11.684","0.001","93.516","0.001","114.832","0.001","111.078","0.001","1099.88","0.17","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O4 S -","- C24 H28 N2 O4 S -","- C48 H56 N4 O8 S2 -","2","1","","Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing","Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.","Organic letters","2017","19","13","3620","3623","10.1021/acs.orglett.7b01609","","","0.71073","MoKα","","0.0382","0.0343","","","0.0986","0.1028","","","","","","1.069","","","","has coordinates","200749","2020-10-21","18:00:00",""
"1546382","14.0717","0.001","10.0842","0.0006","15.323","0.0011","90","","110.408","0.002","90","","2037.9","0.2","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","[tetrakis(mu~2~-thiobarbiturato-O,O')- bis(thiobarbiturato-O)-hexaaqua-disamarium]","","- C12 H15 N6 O9 S3 Sm -","- C12 H15 N6 O9 S3 Sm -","- C48 H60 N24 O36 S12 Sm4 -","4","1","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; S.N. Vereshchagin; I.I. Golovneva","Crystal structure and properties of polymeric hexaaqua-hexakis- (2-thiobarbiturato)-disamarium(III)","Journal of Structural Chemistry","2017","58","3","539","543","10.1134/S0022476617030155","","","0.71073","MoKα","","0.0328","0.0235","","","0.0504","0.0533","","","","","","1.043","","","","has coordinates","198139","2020-10-21","18:00:00",""
"1546384","12.9371","0.0009","7.5514","0.0005","14.3323","0.001","90","","93.205","0.003","90","","1397.98","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 B F3 K N3 O2 -","- C12 H8 B F3 K N3 O2 -","- C48 H32 B4 F12 K4 N12 O8 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0599","0.05","","","0.1167","0.126","","","","","","1.087","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546385","28.487","0.004","12.3676","0.0016","8.8225","0.0011","90","","94.05","0.005","90","","3100.5","0.7","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H16 B2 F8 K2 N6 O2 -","- C26 H16 B2 F8 K2 N6 O2 -","- C104 H64 B8 F32 K8 N24 O8 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0368","0.0301","","","0.0588","0.0611","","","","","","1.038","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546386","7.231","0.0018","10.113","0.003","10.502","0.003","98.148","0.009","105.678","0.009","106.755","0.008","687.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B2 F2 N8 -","- C24 H34 B2 F2 N8 -","- C24 H34 B2 F2 N8 -","1","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.077","0.0458","","","0.1081","0.126","","","","","","0.984","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546387","41.3012","0.0011","8.4531","0.0002","46.0735","0.0011","90","","113.787","0.001","90","","14718.9","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H52.17 B6 F4 K6 N20 O8.01 -","- C52 H52.178 B6 F4 K6 N20 O8.009 -","- C416 H417.424 B48 F32 K48 N160 O64.072 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0608","0.0457","","","0.125","0.1377","","","","","","1.052","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546388","25.5118","0.0015","25.5118","0.0015","12.1914","0.0008","90","","90","","90","","7934.8","0.8","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C14 H6 B2 F3 K2 N7 O -","- C14 H6 B2 F3 K2 N7 O -","- C224 H96 B32 F48 K32 N112 O16 -","16","","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0933","0.0734","","","0.1464","0.1519","","","","","","1.272","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546389","10.9629","0.0009","8.0873","0.0007","14.1771","0.001","90","","90","","90","","1256.95","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H3 B F4 K N3 O -","- C10 H3 B F4 K N3 O -","- C40 H12 B4 F16 K4 N12 O4 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0483","0.0362","","","0.0934","0.0984","","","","","","1.072","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546390","10.0487","0.0006","18.9832","0.0012","22.2949","0.0013","90","","90","","90","","4252.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 B2 F8 K2 N8 -","- C16 B2 F8 K2 N8 -","- C128 B16 F64 K16 N64 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0642","0.0575","","","0.147","0.1509","","","","","","1.134","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546391","9.0844","0.0006","9.8593","0.0006","12.0751","0.0008","91.429","0.002","109.254","0.002","90.945","0.002","1020.36","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 B2 F2 K2 N6 -","- C18 H8 B2 F2 K2 N6 -","- C36 H16 B4 F4 K4 N12 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0335","0.0272","","","0.0645","0.0677","","","","","","1.037","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546392","11.1415","0.0011","12.3048","0.0012","7.4382","0.0007","90","","99.762","0.003","90","","1004.97","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C36 H12 B4 F8 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0414","0.0317","","","0.078","0.0835","","","","","","1.055","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546393","9.8453","0.0007","10.0627","0.0007","13.4136","0.001","87.223","0.003","87.467","0.003","66.895","0.002","1220.4","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 B2 F8 K2 N8 -","- C20 B2 F8 K2 N8 -","- C40 B4 F16 K4 N16 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0676","0.04","","","0.0721","0.0802","","","","","","1.009","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546394","7.7462","0.0005","16.7938","0.001","10.8073","0.0007","90","","90","","90","","1405.9","0.15","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H13 B F3 N4 -","- C12 H12 B F3 N4 -","- C48 H48 B4 F12 N16 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0325","0.0287","","","0.0659","0.0686","","","","","","1.03","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546395","7.4212","0.0004","21.5366","0.0012","7.4276","0.0004","90","","118.496","0.002","90","","1043.31","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H2 B F3 K N3 -","- C9 H2 B F3 K N3 -","- C36 H8 B4 F12 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0313","0.0272","","","0.0638","0.0657","","","","","","1.087","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546396","11.3175","0.001","12.5441","0.0011","7.3312","0.0006","90","","100.954","0.004","90","","1021.83","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 B F K N3 -","- C9 H4 B F K N3 -","- C36 H16 B4 F4 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.051","0.0369","","","0.082","0.0876","","","","","","1.063","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546397","9.2925","0.0005","13.987","0.0007","19.7322","0.001","103.804","0.002","92.966","0.002","107.242","0.002","2357.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 F4 N8 -","- C28 H40 B2 F4 N8 -","- C84 H120 B6 F12 N24 -","3","1.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.1144","0.0624","","","0.1478","0.1745","","","","","","1.03","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546398","7.2218","0.0004","7.3375","0.0004","11.5902","0.0007","100.165","0.002","95.64","0.002","116.645","0.002","529.22","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C18 H6 B2 F4 K2 N6 -","2","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0415","0.0389","","","0.1042","0.1059","","","","","","1.078","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546399","7.3664","0.0011","21.174","0.003","7.39","0.0011","90","","117.188","0.004","90","","1025.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H3 B F2 K N3 -","- C9 H3 B F2 K N3 -","- C36 H12 B4 F8 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0469","0.0336","","","0.0733","0.0784","","","","","","1.053","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546400","7.1368","0.0004","21.0081","0.0011","6.8083","0.0003","90","","90.83","0.002","90","","1020.67","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H2 B F3 K N3 -","- C9 H2 B F3 K N3 -","- C36 H8 B4 F12 K4 N12 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0353","0.0284","","","0.0616","0.0647","","","","","","1.051","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546401","12.5972","0.0007","32.4417","0.0017","16.9137","0.0009","90","","92.82","0.003","90","","6903.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 B4 F28 K4 N12 O4 -","- C56 H32 B4 F28 K4 N12 O4 -","- C224 H128 B16 F112 K16 N48 O16 -","4","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.1433","0.0552","","","0.0998","0.1311","","","","","","1.009","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1546404","19.532","0.002","22.819","0.003","16.8357","0.0018","90","","113.707","0.002","90","","6870.5","1.4","102","","102.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H38.5 Cl1.5 -","- C45.5 H38.5 Cl1.5 -","- C364 H308 Cl12 -","8","2","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.0734","0.0492","","","0.1147","0.1297","","","","","","1.026","","","","has coordinates","200717","2020-10-21","18:00:00",""
"1546405","8.4658","0.0011","16.207","0.002","23.382","0.003","90","","93.382","0.003","90","","3202.5","0.7","295","","294.93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 -","- C45 H38 -","- C180 H152 -","4","1","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.0793","0.0595","","","0.1528","0.1669","","","","","","1.055","","","","has coordinates","200717","2020-10-21","18:00:00",""
"1546406","8.6787","0.0008","23.1736","0.0019","16.1895","0.0014","90","","90","","90","","3256","0.5","298","","298.41","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C45 H38 -","- C45 H38 -","- C180 H152 -","4","0.5","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.0708","0.0459","","","0.1008","0.1123","","","","","","1.053","","","","has coordinates","200717","2020-10-21","18:00:00",""
"1546407","10.5047","0.0008","14.9725","0.0011","27.75","0.002","90","","90","","90","","4364.6","0.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C192 H96 Br32 N16 -","8","1","","Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan","N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption","Macromolecules","2017","","","","","10.1021/acs.macromol.7b00971","","","0.71073","MoKα","","0.0309","0.0207","","","0.0475","0.0486","","","","","","0.919","","","","has coordinates","198177","2020-10-21","18:00:00",""
"1546408","8.174","0.0012","13.0525","0.0018","19.466","0.003","90","","90","","90","","2076.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O Si -","- C22 H27 N O Si -","- C88 H108 N4 O4 Si4 -","4","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.06","0.0489","","","0.1124","0.1183","","","","","","1.042","","","","has coordinates","200739","2020-10-21","18:00:00",""
"1546409","20.188","0.003","10.6143","0.0018","13.479","0.002","90","","91.456","0.004","90","","2887.4","0.8","130","2","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 B N O3 Si -","- C32 H40 B N O3 Si -","- C128 H160 B4 N4 O12 Si4 -","4","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.168","0.0987","","","0.2578","0.3189","","","","","","1.032","","","","has coordinates","200739","2020-10-21","18:00:00",""
"1546410","7.1912","0.0008","28.323","0.002","9.0175","0.001","90","","110.259","0.009","90","","1723","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Triaquahypodiphosphatocalcium](1,4,7,10,13,16-hexa?oxa?cyclo?octa?decane-?6)","","- C6 H22 Ca O13 P2 -","- C6 H22 Ca O13 P2 -","- C24 H88 Ca4 O52 P8 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","0.71069","MoKα","","0.04","0.0347","","","0.0868","0.0901","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546411","17.8264","0.0008","15.4605","0.0004","19.2829","0.0009","90","","113.954","0.005","90","","4856.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54.3 H66.67 N8 O2.03 -","- C54.303 H66.674 N8 O2.034 -","- C217.212 H266.696 N32 O8.136 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","x-ray","0.71073","MoKα","","0.1275","0.0741","","","0.1937","0.2234","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:46",""
"1546412","10.6829","0.0005","11.9538","0.0005","17.4933","0.0008","88.385","0.003","77.936","0.003","70.385","0.003","2055.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,7-Me-CyMe4-BTPhen Eu(NO3)3 Complex","","- C38 H45 Eu N12 O9 -","- C38 H45 Eu N12 O9 -","- C76 H90 Eu2 N24 O18 -","2","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","1.54178","CuKα","","0.0353","0.032","","","0.0813","0.0834","","","","","","0.984","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546413","16.9253","0.0009","8.6647","0.0005","23.1992","0.0012","90","","98.832","0.004","90","","3361.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7-Me-CyMe4-BTPhen","","- C37 H48 N8 O2 -","- C37 H48 N8 O2 -","- C148 H192 N32 O8 -","4","1","","Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.","Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems","Chemical Communications","2017","53","58","8160","8163","10.1039/C7CC03903D","","","1.54178","CuKα","","0.0702","0.0486","","","0.1312","0.1465","","","","","","1.005","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546414","28.62","0.003","41.352","0.004","29.564","0.003","90","","108.087","0.001","90","","33260","6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C236 H503 Dy52 N53 Ni52 O407 -","- C236 H283 Dy52 N53 Ni52 O407 -","- C472 H566 Dy104 N106 Ni104 O814 -","2","0.5","","Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan","Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect","Dalton Transactions","2017","46","30","9745","9749","10.1039/C7DT01978E","","","0.71073","MoKα","","0.1259","0.0737","","","0.2128","0.2421","","","","","","1.081","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546415","28.737","0.015","41.67","0.02","29.877","0.015","90","","107.598","0.007","90","","34103","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C248 H493 Gd52 N54 Ni52 O401.5 -","- C248 H280 Gd52 N54 Ni52 O401.5 -","- C496 H560 Gd104 N108 Ni104 O803 -","2","0.5","","Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan","Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect","Dalton Transactions","2017","46","30","9745","9749","10.1039/C7DT01978E","","","0.71073","MoKα","","0.1625","0.0857","","","0.2312","0.2682","","","","","","1.068","","","","has coordinates,has disorder","282777","2023-04-20","11:56:46",""
"1546416","10.2766","0.0016","16.387","0.003","21.498","0.003","90","","92.547","0.005","90","","3616.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Br N2 Ni O2 -","- C41 H43 Br N2 Ni O2 -","- C164 H172 Br4 N8 Ni4 O8 -","4","1","","Pollit, Adam A.; Obhi, Nimrat K.; Lough, Alan J.; Seferos, Dwight S.","Evaluation of an external initiating Ni(ii) diimine catalyst for electron-deficient π-conjugated polymers","Polym. Chem.","2017","","","","","10.1039/C7PY00873B","","","0.71073","MoKα","","0.1391","0.0491","","","0.1006","0.1315","","","","","","0.992","","","","has coordinates,has disorder","198198","2020-10-21","18:00:00",""
"1546418","10.1479","0.001","10.1826","0.001","10.2083","0.001","102.993","0.005","96.964","0.005","119.796","0.005","857.44","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Li, Yan; Yue, Qun; Jayanetti, Dinith R.; Swenson, Dale C.; Bartholomeusz, Geoffrey A.; An, Zhiqiang; Gloer, James B.; Bills, Gerald F.","Anti-Cryptococcus Phenalenones and Cyclic Tetrapeptides from Auxarthron pseudauxarthron","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00341","","","0.71073","MoKα","","0.0788","0.0529","","","0.1335","0.1504","","","","","","1.023","","","","has coordinates,has disorder","198206","2020-10-21","18:00:00",""
"1546419","12.428","0.004","5.8759","0.0018","21.526","0.006","90","","99.276","0.008","90","","1551.4","0.8","296","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H34 Br N O5 -","- C34 H34 Br N O5 -","- C68 H68 Br2 N2 O10 -","2","1","","Ni, Chunjie; Chen, Jiangfei; Zhang, Yuwen; Hou, Yading; Wang, Dong; Tong, Xiaofeng; Zhu, Shou-Fei; Zhou, Qi-Lin","Phosphine-Catalyzed Asymmetric (3 + 2) Annulations of δ-Acetoxy Allenoates with β-Carbonyl Amides: Enantioselective Synthesis of Spirocyclic β-Keto γ-Lactams.","Organic letters","2017","19","13","3668","3671","10.1021/acs.orglett.7b01717","","","0.71073","MoKα","","0.192","0.0638","","","0.1619","0.2236","","","","","","0.894","","","","has coordinates","200740","2020-10-21","18:00:00",""
"1546420","11.167","0.003","8.117","0.002","13.629","0.004","90","","105.213","0.004","90","","1192.1","0.6","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi","Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide.","Organic letters","2017","19","13","3422","3425","10.1021/acs.orglett.7b01378","","","0.71075","MoKα","","0.035","0.0327","","","0.0998","0.1013","","","","","","1.089","","","","has coordinates","200741","2020-10-21","18:00:00",""
"1546421","31.325","0.003","4.708","0.0004","15.8478","0.0011","90","","90","","90","","2337.2","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H23 N5 O8 S -","- C23 H23 N5 O8 S -","- C92 H92 N20 O32 S4 -","4","1","","Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L.","Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines.","Organic letters","2017","19","13","3568","3571","10.1021/acs.orglett.7b01543","","","1.54178","CuKα","","0.0614","0.0524","","","0.1341","0.1393","","","","","","1.024","","","","has coordinates,has disorder","200743","2020-10-21","18:00:00",""
"1546422","12.1801","0.0015","14.4847","0.0018","15.6426","0.0019","89.1","0.003","82.956","0.003","66.053","0.002","2501.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Br N O3 S -","- C12 H10 Br N O3 S -","- C96 H80 Br8 N8 O24 S8 -","8","4","","Pan, Dong; Wei, Yin; Shi, Min","Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.","Organic letters","2017","19","13","3584","3587","10.1021/acs.orglett.7b01558","","","0.71073","MoKα","","0.0965","0.0495","","","0.108","0.1284","","","","","","1.007","","","","has coordinates","200745","2020-10-21","18:00:00",""
"1546423","5.4587","0.001","9.1326","0.0016","24.374","0.004","90","","90","","90","","1215.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","","Pan, Dong; Wei, Yin; Shi, Min","Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.","Organic letters","2017","19","13","3584","3587","10.1021/acs.orglett.7b01558","","","0.71073","MoKα","","0.0645","0.0584","","","0.1617","0.1684","","","","","","1.049","","","","has coordinates","200745","2020-10-21","18:00:00",""
"1546424","7.8871","0.0004","9.2527","0.0005","10.7496","0.0006","70.765","0.003","76.025","0.003","77.074","0.003","709.81","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PD-VII-236","","","- C17 H21 N O -","- C17 H21 N O -","- C34 H42 N2 O2 -","2","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0539","0.0416","","","0.113","0.1223","","","","","","1.036","","","","has coordinates","200748","2020-10-21","18:00:00",""
"1546425","10.6907","0.0011","11.1788","0.0011","11.708","0.0012","112.885","0.003","105.439","0.003","102.793","0.002","1156.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AEW-III-124-recryst","","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C58 H50 N6 O2 -","2","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0655","0.0451","","","0.1166","0.1297","","","","","","1.027","","","","has coordinates","200748","2020-10-21","18:00:00",""
"1546426","9.3259","0.0005","19.0277","0.0011","23.1597","0.0009","90","","90","","90","","4109.7","0.4","236","12","236","12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C200 H168 N8 O24 S8 -","8","2","","Xu, Dengyu; Zhao, Yulong; Song, Dengpeng; Zhong, Zhuliang; Feng, Shangbiao; Xie, Xingang; Wang, Xiaolei; She, Xuegong","(3 + 2)-Annulation of p-Quinamine and Aryne: A Strategy To Construct the Multisubstituted Hydrocarbazoles.","Organic letters","2017","19","13","3600","3603","10.1021/acs.orglett.7b01578","","","0.71073","MoKα","","0.1186","0.0669","","","0.0949","0.1245","","","","","","1.059","","","","has coordinates","200750","2020-10-21","18:00:00",""
"1546427","9.1341","0.0006","13.5068","0.0009","16.573","0.0011","90","","90","","90","","2044.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Mn N4 O6 S2 -","- C16 H26 Mn N4 O6 S2 -","- C64 H104 Mn4 N16 O24 S8 -","4","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0355","0.0266","","","0.0598","0.0637","","","","","","1.033","","","","has coordinates","198234","2020-10-21","18:00:00",""
"1546428","11.8868","0.0003","13.8324","0.0003","29.9847","0.0008","90","","90","","90","","4930.2","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Mn N4 O9 S2 -","- C16 H32 Mn N4 O9 S2 -","- C128 H256 Mn8 N32 O72 S16 -","8","1","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0452","0.0302","","","0.0698","0.076","","","","","","1.012","","","","has coordinates","198235","2020-10-21","18:00:00",""
"1546429","9.0094","0.0008","14.0378","0.0011","14.5823","0.0012","109.494","0.003","92.834","0.003","106.941","0.003","1640.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-tetrakis(1,3-diethyl- 2-thiobarbiturato-O)-decaaqua-trimanganese(II)","","- C48 H86 Mn3 N12 O22 S6 -","- C48 H86 Mn3 N12 O22 S6 -","- C48 H86 Mn3 N12 O22 S6 -","1","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0789","0.0464","","","0.1124","0.1265","","","","","","1.034","","","","has coordinates","198236","2020-10-21","18:00:00",""
"1546431","20.1484","0.0007","23.5395","0.0007","16.3621","0.0005","90","","113.8","0.002","90","","7100.3","0.4","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O16 -","- C40 H48 O16 -","- C320 H384 O128 -","8","1","","Zafrani, Yossi; Cohen, Yoram","Calix[4, 5]tetrolarenes: A New Family of Macrocycles.","Organic letters","2017","19","14","3719","3722","10.1021/acs.orglett.7b01511","","","0.71073","MoKα","","0.0698","0.0447","","","0.1061","0.1206","","","","","","1.033","","","","has coordinates","200759","2020-10-21","18:00:00",""
"1546432","6.3646","0.0007","17.4661","0.0018","27.475","0.003","90","","90","","90","","3054.3","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V.","Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01556","","","0.71073","MoKα","","0.0755","0.0503","","","0.1046","0.1152","","","","","","1.015","","","","has coordinates","198267","2020-10-21","18:00:00",""
"1546433","11.018","0.003","8.6442","0.0019","16.608","0.004","90","","100.195","0.005","90","","1556.8","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O7 -","- C17 H13 N O7 -","- C68 H52 N4 O28 -","4","1","","Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V.","Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01556","","","0.71073","MoKα","","0.1419","0.057","","","0.0862","0.1057","","","","","","0.933","","","","has coordinates","198268","2020-10-21","18:00:00",""
"1546434","10.6364","0.001","13.3605","0.0013","13.3662","0.0012","90","","91.547","0.003","90","","1898.7","0.3","123","","123","","","","","","","","Prince Ravat","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br2 O2 -","- C24 H16 Br2 O2 -","- C96 H64 Br8 O8 -","4","1","","Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal","Configurational Stability of [5]Helicenes.","Organic letters","2017","19","14","3707","3710","10.1021/acs.orglett.7b01461","","","1.54178","CuKα","","0.0209","0.0208","","0.0465","0.0465","0.0465","","","","","","0.8945","","","","has coordinates","199592","2020-10-21","18:00:00",""
"1546435","17.0796","0.0014","13.6704","0.0008","18.9052","0.0013","90","","116.272","0.009","90","","3958.1","0.6","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(trans)-Ethyl 1-benzoyl-2-phenylindoline-3-carboxylate","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","2","","Wu, Cheng-Juan; Cao, Wen-Xiao; Lei, Tao; Li, Zhi-Hua; Meng, Qing-Yuan; Yang, Xiu-Long; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu","A sustainable synthesis of 2-aryl-3-carboxylate indolines from N-aryl enamines under visible light irradiation","Chemical Communications","2017","53","59","8320","8323","10.1039/C7CC04358A","","x-ray","0.71073","MoKα","","0.0746","0.0592","","","0.161","0.1741","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546436","15.3867","0.0011","20.3731","0.0014","22.3197","0.0016","90","","90.744","0.004","90","","6996.1","0.9","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 Fe2 N4 -","- C80 H112 Fe2 N4 -","- C320 H448 Fe8 N16 -","4","1","","Horitani, Masaki; Grubel, Katarzyna; McWilliams, Sean F.; Stubbert, Bryan D.; Mercado, Brandon Q.; Yu, Ying; Gurubasavaraj, Prabhuodeyara M.; Lees, Nicholas S.; Holland, Patrick L.; Hoffman, Brian M.","ENDOR characterization of an iron‒alkene complex provides insight into a corresponding organometallic intermediate of nitrogenase","Chem. Sci.","2017","","","","","10.1039/C7SC01602F","","","0.71073","MoKα","","0.1351","0.0655","","","0.152","0.1946","","","","","","1.005","","","","has coordinates,has disorder","198296","2020-10-21","18:00:00",""
"1546437","25.34","0.005","14.77","0.003","20.55","0.004","90","","97.13","0.03","90","","7632","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12",";Dy2S@Cs(6)-C82/Ni(OEP)/2(C7H8);","","","- C132 H59 Dy2 N4 Ni S -","- C132 H59 Dy2.001 N4 Ni S -","- C528 H236 Dy8.004 N16 Ni4 S4 -","4","0.5","","Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.","Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism","Chem. Sci.","2017","","","","","10.1039/C7SC02395B","","","0.89429","synchrotron","","0.1679","0.1181","","","0.3275","0.3635","","","","","","1.449","","","","has coordinates,has disorder","198297","2020-10-21","18:00:00",""
"1546438","25.25","0.005","14.86","0.003","20.46","0.004","90","","97.74","0.03","90","","7607","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12",";Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8);","Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8)","","- C132 H60 Dy2 N4 Ni S -","- C132 H60 Dy2 N4 Ni S0.999 -","- C528 H240 Dy8 N16 Ni4 S3.996 -","4","0.5","","Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.","Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism","Chem. Sci.","2017","","","","","10.1039/C7SC02395B","","","0.89429","synchrotron","","0.234","0.163","","","0.4063","0.4406","","","","","","1.065","","","","has coordinates,has disorder","198297","2020-10-21","18:00:00",""
"1546439","11.1034","0.0008","6.1744","0.0004","14.0512","0.001","90","","96.477","0.003","90","","957.16","0.12","173","2","173","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 -","- C20 H20 N2 O7 -","- C40 H40 N4 O14 -","2","1","","Boissarie, Patrick; Bélanger, Guillaume","Short Approach toward the Nonracemic A,B,E Tricyclic Core of Calyciphylline B-Type Alkaloids.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01566","","x-ray","1.54186","CuKα","","0.063","0.0486","","","0.1235","0.1365","","","","","","0.958","","","","has coordinates","198320","2020-10-21","18:00:00",""
"1546440","14.9611","0.0007","18.8833","0.0009","15.2457","0.0008","90","","102.243","0.0018","90","","4209.2","0.4","304","2","304","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","VNU-18","","- C23.5 H22.5 Cu3 N4.5 O13 -","- C23.5 H22.5 Cu3 N4.5 O13 -","- C94 H90 Cu12 N18 O52 -","4","1","","Truong, Thanh; Tran, Thuan V.; Le, Hanh T. N; Ha, Hiep Q.; Duong, Xuan N. T; Nguyen, Linh H. T; Doan, Tan L. H; Nguyen, Ha Lac","Five coordination Cu(II) cluster-based MOF and its application in synthesis of pharmaceuticals via Sp3C-H/N-H oxidative couplings","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00882A","","","1.54178","CuKα","","0.0722","0.0574","","","0.1755","0.1837","","","","","","1.051","","","","has coordinates","198348","2020-10-21","18:00:00",""
"1546441","11.8092","0.0004","22.5105","0.0007","8.1573","0.0003","90","","90","","90","","2168.46","0.13","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H32 N3 O6 P -","- C20 H32 N3 O6 P -","- C80 H128 N12 O24 P4 -","4","1","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0352","0.0339","","","0.0881","0.0891","","","","","","1.055","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546442","11.632","0.002","10.796","0.002","20.144","0.004","90","","92.25","0.03","90","","2527.7","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O4 P -","- C23 H35 N4 O4 P -","- C92 H140 N16 O16 P4 -","4","2","","Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa","Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC01859B","","","1.54178","CuKα","","0.0457","0.0411","","","0.1068","0.1101","","","","","","1.045","","","","has coordinates","198351","2020-10-21","18:00:00",""
"1546443","8.4435","0.0002","8.577","0.0002","12.2867","0.0003","84.407","0.002","89.589","0.002","82.07","0.002","877.08","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 B N2 S3 -","- C15 H25 B N2 S3 -","- C30 H50 B2 N4 S6 -","2","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0357","0.0296","","","0.0716","0.075","","","","","","1.044","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546444","8.20315","0.0001","16.7145","0.0002","37.3775","0.0007","90","","95.505","0.002","90","","5101.25","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 B N3 S2 -","- C26 H34 B N3 S2 -","- C208 H272 B8 N24 S16 -","8","2","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0467","0.0355","","","0.0856","0.0919","","","","","","1.027","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546445","8.8243","0.0002","10.9964","0.0002","12.7995","0.0003","90","","90","","90","","1242.01","0.05","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C11 H10 B I N4 -","- C11 H10 B I N4 -","- C44 H40 B4 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0215","0.0185","","","0.0444","0.0456","","","","","","1.107","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546446","12.63216","0.0001","13.55052","0.0001","16.37821","0.0001","90","","90","","90","","2803.5","0.03","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 B N2 S3 -","- C27 H39 B N2 S3 -","- C108 H156 B4 N8 S12 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0258","0.0256","","","0.069","0.0693","","","","","","1.05","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546447","10.4737","0.0002","12.0926","0.0002","13.1679","0.0003","90","","104.764","0.002","90","","1612.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B N3 S2 -","- C14 H20 B N3 S2 -","- C56 H80 B4 N12 S8 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.044","0.0364","","","0.0836","0.0868","","","","","","1.064","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546448","11.0134","0.0001","21.1517","0.0002","13.8999","0.0001","90","","90.555","0.001","90","","3237.86","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B N4 Sn -","- C14 H19 B N4 Sn -","- C112 H152 B8 N32 Sn8 -","8","2","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","x-ray","0.71073","MoKα","","0.0342","0.0263","","","0.0497","0.052","","","","","","1.102","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546449","10.8977","0.0004","12.4002","0.0004","11.6286","0.0002","90","","90","","90","","1571.42","0.08","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H14 B Cl2 I N4 -","- C10 H14 B Cl2 I N4 -","- C40 H56 B4 Cl8 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0184","0.0169","","","0.0351","0.0359","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546450","9.5297","0.0002","8.5096","0.0002","16.0181","0.0004","90","","94.741","0.002","90","","1294.53","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 B N3 S Si -","- C8 H14 B N3 S Si -","- C32 H56 B4 N12 S4 Si4 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0296","0.0267","","","0.0686","0.0704","","","","","","1.06","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546451","9.0098","0.0001","22.6206","0.0002","13.0457","0.0001","90","","100.351","0.001","90","","2615.54","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 B2 K2 N8 O12 -","- C46 H68 B2 K2 N8 O12 -","- C92 H136 B4 K4 N16 O24 -","2","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0395","0.0361","","","0.0956","0.0986","","","","","","1.047","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546452","33.0927","0.0005","30.3266","0.0004","25.1212","0.0004","90","","106.881","0.002","90","","24125","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C243 H296 B9 K9 N36 O4 -","- C207 H216 B9 K9 N36 -","- C828 H864 B36 K36 N144 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0474","0.039","","","0.0968","0.1013","","","","","","1.02","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546453","8.5576","0.0003","9.7069","0.0003","16.4514","0.0006","90","","90","","90","","1366.58","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 B N4 S -","- C11 H17 B N4 S -","- C44 H68 B4 N16 S4 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0471","0.038","","","0.0781","0.0823","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546454","16.1393","0.0003","7.9763","0.0002","34.8942","0.0007","90","","90","","90","","4492","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B N4 -","- C24 H27 B N4 -","- C192 H216 B8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0549","0.0514","","","0.1465","0.1501","","","","","","1.057","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546455","31.987","0.002","8.6554","0.0006","16.7007","0.0009","90","","90","","90","","4623.8","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H30 B Cl2 N4 P -","- C20 H30 B Cl2 N4 P -","- C160 H240 B8 Cl16 N32 P8 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.05","0.0393","","","0.0927","0.099","","","","","","1.032","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546456","11.3418","0.0003","18.4372","0.0005","12.9532","0.0003","90","","90","","90","","2708.66","0.12","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12.5 H14 B Cl N4 -","- C12.5 H14 B Cl N4 -","- C100 H112 B8 Cl8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0335","0.0327","","","0.0851","0.0861","","","","","","1.049","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546457","16.575","0.0003","17.3066","0.0002","23.9859","0.0004","90","","90.036","0.002","90","","6880.52","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 B I N4 -","- C23 H24 B I N4 -","- C276 H288 B12 I12 N48 -","12","3","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0358","0.0292","","","0.0606","0.0627","","","","","","1.059","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546459","6.21152","0.00011","5.70278","0.00014","19.944","0.0003","90","","92.5859","0.0016","90","","705.76","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-3-hydroxy-5-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4-nitrocyclohexan-1-one","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Varró, Gábor; Hegedűs, László; Simon, András; Balogh, Attila; Grün, Alajos; Leveles, Ibolya; Vértessy, Beáta G; Kádas, István","The First Enantioselective Total Synthesis of (-)-trans-Dihydronarciclasine.","Journal of natural products","2017","80","6","1909","1917","10.1021/acs.jnatprod.7b00208","","","1.54184","CuKα","","0.0436","0.0381","","","0.1095","0.116","","","","","","0.917","","","","has coordinates","198374","2020-10-21","18:00:00",""
"1546460","27.622","0.0004","19.968","0.0001","5.699","0.0005","90","","90","0.001","90","","3143.3","0.3","298","2","298","2","","","","","","","Hoya kerrii","3","P 21 21 2","P 2 2ab","18","kerriipregnane B 3-O-Î^2^-D-diginopyranoside acetate","","","- C31 H46 O10 -","- C31 H46 O10 -","- C124 H184 O40 -","4","1","","Seeka, Chonticha; Prabpai, Samran; Kongsaeree, Palangpon; Tewtrakul, Supinya; Lhinhatrakool, Thitima; Sutthivaiyakit, Somyote","Anti-inflammatory 12,20-Epoxypregnane and 11,12-seco-Pregnane Glycosides from the Stems of Hoya kerrii.","Journal of natural products","2017","80","6","1714","1724","10.1021/acs.jnatprod.6b00730","","x-ray","0.71073","MoKα","","0.0594","0.052","","","0.1346","0.1424","","","","","","1.043","","","","has coordinates","198375","2020-10-21","18:00:00",""
"1546461","7.4046","0.0011","21.681","0.003","10.616","0.0016","90","","100.034","0.003","90","","1678.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C72 H76 N12 O12 S4 -","4","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0476","0.0392","","","0.1018","0.1086","","","","","","1.024","","","","has coordinates","198401","2020-10-21","18:00:00",""
"1546462","11.366","0.003","12.273","0.003","13.051","0.003","107.953","0.005","93.513","0.005","111.951","0.005","1573.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 N3 O3 S -","- C37 H33 N3 O3 S -","- C74 H66 N6 O6 S2 -","2","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.1111","0.0738","","","0.1861","0.2097","","","","","","1.016","","","","has coordinates","198402","2020-10-21","18:00:00",""
"1546463","9.468","0.003","19.074","0.007","9.275","0.003","90","","103.8","0.02","90","","1626.6","1","276","2","276","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna","Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones.","Organic letters","2017","19","12","3135","3138","10.1021/acs.orglett.7b01260","","","0.71073","MoKα","","0.0916","0.0557","","","0.1289","0.1453","","","","","","1.03","","","","has coordinates","198403","2020-10-21","18:00:00",""
"1546464","11.8766","0.0006","11.7308","0.0006","23.6382","0.0013","90","","90","","90","","3293.3","0.3","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H27 F2 N O Si -","- C13 H27 F2 N O Si -","- C104 H216 F16 N8 O8 Si8 -","8","1","","Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D.","Radical Silyldifluoromethylation of Electron-Deficient Alkenes.","Organic letters","2017","19","12","3215","3218","10.1021/acs.orglett.7b01334","","","0.71073","MoKα","","0.0537","0.0396","","","0.092","0.1025","","","","","","1.072","","","","has coordinates","198404","2020-10-21","18:00:00",""
"1546465","9.2873","0.0004","11.4628","0.0004","9.2961","0.0004","90","","98.91","0.001","90","","977.71","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O6 -","- C20 H20 Br N O6 -","- C40 H40 Br2 N2 O12 -","2","1","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.0331","0.029","","","0.0705","0.0725","","","","","","1.051","","","","has coordinates","198405","2020-10-21","18:00:00",""
"1546466","9.4224","0.0017","16.987","0.003","18.8","0.004","90","","90","","90","","3009.1","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O3 S -","- C40 H29 N O3 S -","- C160 H116 N4 O12 S4 -","4","1","","Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu","Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.","Organic letters","2017","19","12","3311","3314","10.1021/acs.orglett.7b01470","","","0.71075","MoKα","","0.0939","0.0569","","","0.1085","0.1365","","","","","","0.922","","","","has coordinates","198406","2020-10-21","18:00:00",""
"1546467","9.212","0.003","14.231","0.005","13.496","0.004","90","","91.5","0.03","90","","1768.7","1","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O -","- C26 H19 O -","- C104 H76 O4 -","4","1","","Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu","Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.","Organic letters","2017","19","12","3311","3314","10.1021/acs.orglett.7b01470","","","0.71075","MoKα","","0.0874","0.0738","","","0.1817","0.1944","","","","","","1.081","","","","has coordinates","198407","2020-10-21","18:00:00",""
"1546468","7.623","0.0006","10.7719","0.0007","11.87","0.0009","97.78","0.006","97.592","0.006","100.123","0.006","938.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 O4 S -","- C21 H18 O4 S -","- C42 H36 O8 S2 -","2","1","","Lou, Jiang; Wang, Quannan; Wu, Kaikai; Wu, Ping; Yu, Zhengkun","Iron-Catalyzed Oxidative C-H Functionalization of Internal Olefins for the Synthesis of Tetrasubstituted Furans.","Organic letters","2017","19","12","3287","3290","10.1021/acs.orglett.7b01431","","","0.71073","MoKα","","0.0683","0.0451","","","0.1045","0.1207","","","","","","1.028","","","","has coordinates","198408","2020-10-21","18:00:00",""
"1546469","22.032","0.004","6.0534","0.001","22.854","0.004","90","","104.357","0.004","90","","2952.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N O3 -","- C17 H18 B N O3 -","- C136 H144 B8 N8 O24 -","8","2","","Meadows, Margaret K.; Roesner, Emily K.; Lynch, Vincent M.; James, Tony D.; Anslyn, Eric V.","Boronic Acid Mediated Coupling of Catechols and N-Hydroxylamines: A Bioorthogonal Reaction to Label Peptides.","Organic letters","2017","19","12","3179","3182","10.1021/acs.orglett.7b01198","","","0.71073","MoKα","","0.0627","0.0486","","","0.1127","0.1195","","","","","","1.066","","","","has coordinates","198409","2020-10-21","18:00:00",""
"1546470","11.113","0.004","4.9271","0.0018","13.773","0.005","90","","101.305","0.012","90","","739.5","0.5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 O -","- C24 H14 O -","- C48 H28 O2 -","2","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","","1.54187","CuKα","","0.1561","0.1172","","","0.3206","0.4226","","","","","","1.395","","","","has coordinates","198410","2020-10-21","18:00:00",""
"1546471","8.423","0.005","20.457","0.01","28.733","0.015","90","","91.783","0.017","90","","4949","5","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 N3 O -","- C33 H17 N3 O -","- C264 H136 N24 O8 -","8","1","","Wang, Ya-Kun; Wu, Sheng-Fan; Yuan, Yi; Li, Si-Hua; Fung, Man-Keung; Liao, Liang-Sheng; Jiang, Zuo-Quan","Donor-σ-Acceptor Molecules for Green Thermally Activated Delayed Fluorescence by Spatially Approaching Spiro Conformation.","Organic letters","2017","19","12","3155","3158","10.1021/acs.orglett.7b01281","","","0.71073","MoKα","","0.1675","0.0757","","","0.1805","0.2232","","","","","","0.971","","","","has coordinates","198411","2020-10-21","18:00:00",""
"1546472","9.4913","0.0006","16.766","0.0011","10.7446","0.0007","90","","109.854","0.007","90","","1608.17","0.19","294.78","0.1","294.78","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Cl2 N O4 S -","- C32 H37 Cl2 N O4 S -","- C64 H74 Cl4 N2 O8 S2 -","2","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.71073","MoKα","","0.069","0.0531","","","0.1188","0.1352","","","","","","1.052","","","","has coordinates,has disorder","198412","2020-10-21","18:00:00",""
"1546473","10.1261","0.0004","11.271","0.0007","19.4856","0.0011","90","","90","","90","","2223.9","0.2","254","9","254","9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O3 -","- C24 H27 Br O3 -","- C96 H108 Br4 O12 -","4","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.7107","MoKα","","0.1243","0.0661","","","0.1194","0.15","","","","","","1.038","","","","has coordinates","198413","2020-10-21","18:00:00",""
"1546474","6.24343","0.00013","16.3321","0.0003","20.2668","0.0004","90","","90","","90","","2066.57","0.07","293.42","0.1","293.42","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Yang, Yu-Jie; Ji, Yuanyuan; Qi, Liangliang; Wang, Guanjun; Hui, Xin-Ping","Asymmetric Synthesis of Cyclopenta[3,4]pyrroloindolones via N-Heterocyclic Carbene-Catalyzed Michael/Aldol/Lactamization Cascade Reaction.","Organic letters","2017","19","12","3271","3274","10.1021/acs.orglett.7b01411","","x-ray","1.54184","CuKα","","0.0431","0.0378","","","0.0919","0.0961","","","","","","1.056","","","","has coordinates","198414","2020-10-21","18:00:00",""
"1546475","11.5863","0.0005","9.608","0.0002","10.1371","0.0002","90","","118.906","0.002","90","","987.88","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 O11 Sm -","- C3 H6 O11 Sm -","- C12 H24 O44 Sm4 -","4","1","","Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V.","Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study","IUCrJ","2017","4","5","","","10.1107/S2052252517008624","","","0.71073","MoKα","","0.025","0.022","","","0.0538","0.0562","","","","","","1.043","","","","has coordinates","198455","2020-10-21","18:00:00",""
"1546476","8.4368","0.0003","9.7963","0.0003","9.4986","0.0004","90","","90.393","0.003","90","","785.04","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 O9 Sm -","- C3 H6 O9 Sm -","- C12 H24 O36 Sm4 -","4","1","","Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V.","Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study","IUCrJ","2017","4","5","","","10.1107/S2052252517008624","","","0.7093","","","0.0469","0.0299","","","0.059","0.0659","","","","","","1.037","","","","has coordinates","198455","2020-10-21","18:00:00",""
"1546479","25.2002","0.0016","19.5179","0.001","17.5099","0.0009","90","","98.942","0.006","90","","8507.7","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H158 N8 Se Si6 U2 -","- C73 H158 N8 Se Si6 U2 -","- C292 H632 N32 Se4 Si24 U8 -","4","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0356","0.0331","","","0.0819","0.0834","","","","","","1.051","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546480","29.155","0.006","13.416","0.003","22.949","0.005","90","","105.344","0.004","90","","8656","3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H166 N8 O2 S Si6 U2 -","- C74 H166 N8 O2 S Si6 U2 -","- C296 H664 N32 O8 S4 Si24 U8 -","4","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","0.71073","MoKα","","0.1027","0.0659","","","0.1056","0.1146","","","","","","1.107","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546481","13.4366","0.0005","14.7631","0.0005","25.3924","0.0009","90","","90","","90","","5037","0.3","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H93 N7 O P Si3 U -","- C39 H93 N7 O P Si3 U -","- C156 H372 N28 O4 P4 Si12 U4 -","4","1","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","x-ray","0.71073","MoKα","","0.0277","0.0255","","","0.0544","0.0552","","","","","","0.996","","","","has coordinates","198497","2020-10-21","18:00:00",""
"1546482","12.9125","0.001","22.4587","0.0004","23.3257","0.0018","90","","144.194","0.017","90","","3957.5","1.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H150 N8 S2 Si6 U2 -","- C66 H150 N8 S2 Si6 U2 -","- C132 H300 N16 S4 Si12 U4 -","2","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0256","0.0251","","","0.0616","0.0619","","","","","","1.068","","","","has coordinates","198497","2020-10-21","18:00:00",""
"1546483","13.8022","0.0003","16.3751","0.0005","18.0985","0.0006","90","","92.474","0.003","90","","4086.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H150 N8 Si6 Te U2 -","- C66 H150 N8 Si6 Te U2 -","- C132 H300 N16 Si12 Te2 U4 -","2","0.5","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","","1.54184","CuKα","","0.0897","0.0814","","","0.211","0.219","","","","","","1.143","","","","has coordinates,has disorder","198497","2020-10-21","18:00:00",""
"1546484","10.443","0.008","12.603","0.011","17.396","0.016","110.9","0.02","98.5","0.02","90.185","0.019","2112","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Isonicotinamide + 3MeO benzoic acid From MeCN","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C88 H88 N8 O28 -","4","2","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1252","0.0657","","","0.1658","0.207","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546485","5.222","0.004","8.817","0.007","14.578","0.011","101.606","0.018","94.434","0.016","94.826","0.018","652.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","7H Benzamide + 3-Fluorobenzoic Acid","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C28 H24 F2 N2 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.182","0.0716","","","0.1504","0.2046","","","","","","0.974","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546486","11.012","0.002","4.0528","0.0008","32.335","0.006","90","","94.648","0.004","90","","1438.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","44'Bipyridyl + 2-Fluorobenzoic acid cocrystal","4,4'-Bipyridyl 2-Fluorobenzoic Acid","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0835","0.0589","","","0.1823","0.2075","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546487","8.084","0.004","12.756","0.006","9.49","0.004","90","","93.543","0.012","90","","976.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Urea and 2-Nitrobenzoic Acid","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C32 H36 N12 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1156","0.0712","","","0.176","0.2452","","","","","","0.997","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546488","10.878","0.003","12.704","0.004","15.328","0.005","90","","107.034","0.009","90","","2025.3","1.1","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicotinamide + mToluic Acid from EtOH","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1629","0.0672","","","0.1559","0.2008","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546489","27.715","0.003","7.0371","0.0007","21.947","0.002","90","","105.132","0.004","90","","4132","0.7","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Nicotinamide + 2Nitrobenzoic Acid from MeCN","","","- C20 H16 N4 O9 -","- C20 H16 N4 O9 -","- C160 H128 N32 O72 -","8","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0539","0.0401","","","0.0994","0.1092","","","","","","1.019","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546490","10.479","0.002","4.9873","0.0009","12.644","0.003","90","","109.361","0.005","90","","623.4","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nicotinamide + 2Aminobenzoic Acid from EtOH","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0363","0.0305","","","0.07","0.0744","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546491","11.8242","0.0018","10.035","0.0015","15.06","0.002","90","","104.953","0.002","90","","1726.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Urea + 2Nitrobenzoic Acid from MecN","","","- C15 H14 N4 O9 -","- C15 H14 N4 O9 -","- C60 H56 N16 O36 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0464","0.0366","","","0.0933","0.1012","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546492","13.629","0.016","7.151","0.008","13.651","0.015","90","","115.649","0.017","90","","1199","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide 4-Fluorobenzoic Acid Cocrystal","Nicotinamide 4-Fluorobenzoic Acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C52 H44 F4 N8 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0609","0.0392","","","0.1015","0.1135","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546493","7.988","0.003","11.004","0.005","12.725","0.006","73.939","0.01","75.605","0.01","89.042","0.011","1039.5","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","7A Benzamide + 2-Nitrobenzoic Acid","Benzamide 2-nitrobenzoic acid","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C42 H34 N6 O18 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1601","0.0657","","","0.1747","0.2499","","","","","","0.909","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546494","7.1167","0.0005","7.559","0.0005","12.8081","0.0009","85.164","0.002","75.933","0.002","85.895","0.002","665.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Nicotinamide + 2Nitrobenzoic Acid","Nicotinamide 2-Nitrobenzoic Acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0556","0.0397","","","0.1046","0.1159","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546495","8.873","0.002","34.245","0.008","9.175","0.002","90","","105.942","0.008","90","","2680.7","1.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Nitrobenzoic Acid + Isonicotinamide","","","- C26 H22 N6 O10 -","- C26 H22 N6 O10 -","- C104 H88 N24 O40 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0661","0.0469","","","0.1235","0.1394","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546496","12.516","0.005","10.899","0.004","9.306","0.003","90","","95.296","0.012","90","","1264","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isonicotinamide + 2-Aminobenzoic Acid","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1847","0.0853","","","0.1978","0.2536","","","","","","1.015","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546497","21.17","0.0016","22.5739","0.0014","24.0674","0.0016","62.949","0.002","71.882","0.002","67.422","0.002","9327.3","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 N4 O4 -","- C56.9982 H47.9985 N3.99975 O4 -","- C455.986 H383.988 N31.998 O32 -","8","4","","Zhu, Wei; Ding, Zheng-Dong; Wang, Xuan; Li, Tao; Shen, Rui; Li, Yunxing; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","A three-dimensional porphyrin-based porous organic polymer with excellent biomimetic catalytic performance","Polym. Chem.","2017","","","","","10.1039/C7PY00876G","","","0.71073","MoKα","","0.1963","0.0809","","","0.1805","0.2394","","","","","","1.077","","","","has coordinates,has disorder","198505","2020-10-21","18:00:00",""
"1546501","6.6243","0.0003","8.5016","0.0005","10.8522","0.0007","83.908","0.005","86.04","0.005","82.465","0.005","601.52","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C28 H20 Br2 N2 O2 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Elemental Sulfur-Promoted Oxidative Rearranging Coupling between o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under Mild Conditions.","Organic letters","2017","19","14","3887","3890","10.1021/acs.orglett.7b01775","","x-ray","0.71073","MoKα","","0.0309","0.0255","","","0.0567","0.0582","","","","","","1.043","","","","has coordinates,has disorder","200755","2020-10-21","18:00:00",""
"1546502","7.5748","0.0003","13.3134","0.0005","16.6181","0.0009","90","","93.054","0.005","90","","1673.49","0.13","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H13 Cl1.5 D0.5 N O4 S -","- C16.5 H13 Cl1.5 D0.5 N O4 S -","- C66 H52 Cl6 D2 N4 O16 S4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Redox-Neutral Access to Sultams from 2-Nitrochalcones and Sulfur with Complete Atom Economy","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01766","","x-ray","0.71073","MoKα","","0.0703","0.0579","","","0.1524","0.1598","","","","","","1.127","","","","has coordinates","198557","2020-10-21","18:00:00",""
"1546503","19.2187","0.0018","17.1982","0.0018","19.999","0.003","90","","90.738","0.012","90","","6609.7","1.4","150","","150","","","","","","","","SYN","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C248 H272 B4 F96 P8 Rh4 -","4","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.145","0.1072","","0.3333","0.2509","0.3327","","","","","","0.9981","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546504","12.7894","0.0007","12.8961","0.0007","19.8711","0.0008","91.256","0.004","90.745","0.004","96.863","0.004","3252.7","0.3","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C61 H66 B F24 P2 Rh -","- C61 H66 B F24 P2 Rh -","- C122 H132 B2 F48 P4 Rh2 -","2","1","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.1525","0.1277","","0.3806","0.3264","0.3806","","","","","","0.9616","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546505","25.8617","0.0003","25.8617","0.0003","20.302","0.0003","90","","90","","120","","11759.4","0.3","150","","150","","","","","","","","SYN","6","P 63 2 2","P 6c 2c","182","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C372 H408 B6 F144 P12 Rh6 -","6","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.5418","CuKα","","0.0868","0.0666","","0.2106","0.1776","0.2105","","","","","","0.9722","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546506","19.1979","0.001","17.1549","0.0015","19.9732","0.0012","90","","90.31","0.006","90","","6577.8","0.8","150.01","0.1","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C248 H272 B4 F96 P8 Rh4 -","4","0.5","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","","1.54184","CuKα","","0.1106","0.1019","","","0.2487","0.2542","","","","","","1.09","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546507","13.4908","0.0004","14.2693","0.0004","18.1051","0.0004","98.549","0.002","102.097","0.002","94.411","0.002","3348.94","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 B F24 P2 Rh -","- C64 H72 B F24 P2 Rh -","- C128 H144 B2 F48 P4 Rh2 -","2","1","","Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew","Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.","Chem. Sci.","2017","","","","","10.1039/C7SC01491K","","x-ray","1.54184","CuKα","","0.061","0.0552","","","0.1417","0.1475","","","","","","1.043","","","","has coordinates,has disorder","198564","2020-10-21","18:00:00",""
"1546508","10.0992","0.0003","20.5006","0.0007","13.57","0.0005","90","","90.2639","0.0005","90","","2809.5","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N6 Ni O3 -","- C31 H32 N6 Ni O3 -","- C124 H128 N24 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","0.71073","MoKα","","0.0478","0.0364","","","0.0759","0.081","","","","","","1.032","","","","has coordinates","200673","2020-10-21","18:00:00",""
"1546512","8.8067","0.0003","13.5906","0.0005","16.3003","0.0007","83.2903","0.0015","78.3035","0.0015","72.0401","0.0013","1814.26","0.12","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C37 H33 Cl5 N2 O2 P2 Ru -","- C37 H33 Cl5 N2 O2 P2 Ru -","- C74 H66 Cl10 N4 O4 P4 Ru2 -","2","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0378","0.0295","","","0.0802","0.0867","","","","","","0.916","","","","has coordinates,has disorder","198607","2020-10-21","18:00:00",""
"1546513","13.1524","0.0005","14.2669","0.0006","18.7481","0.0008","90","","104.965","0.002","90","","3398.7","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl2 N2 O3 P2 Ru -","- C35 H40 Cl2 N2 O3 P2 Ru -","- C140 H160 Cl8 N8 O12 P8 Ru4 -","4","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0409","0.0301","","","0.0886","0.1028","","","","","","1.127","","","","has coordinates","198607","2020-10-21","18:00:00",""
"1546514","14.1626","0.0013","17.2124","0.0019","15.9415","0.0018","90","","110.623","0.003","90","","3637.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 Cl4 N2 O2 P2 Ru -","- C37 H34 Cl4 N2 O2 P2 Ru -","- C148 H136 Cl16 N8 O8 P8 Ru4 -","4","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0896","0.0504","","","0.0992","0.1122","","","","","","1.074","","","","has coordinates,has disorder","198607","2020-10-21","18:00:00",""
"1546515","16.1179","0.0019","16.1688","0.0019","15.2936","0.0018","90","","107.19","0.004","90","","3807.6","0.8","150","","150","","","","","","","","synthesis as described","7","P 1 c 1","P -2yc","7","","","","- C38.5 H36 Cl N3 O3 P2 Ru -","- C38.5 H36 Cl N3 O3 P2 Ru -","- C154 H144 Cl4 N12 O12 P8 Ru4 -","4","2","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0853","0.0732","","","0.1982","0.2105","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546516","5.0215","0.0005","8.6681","0.0009","12.6928","0.0013","80.344","0.001","83.072","0.001","88.4","0.001","540.66","0.1","90","","90","","","","","","","","","5","P 1","P 1","1","","","","- C11 H12 F3 N O -","- C11 H12 F3 N O -","- C22 H24 F6 N2 O2 -","2","2","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0211","0.021","","","0.0544","0.0545","","","","","","1.087","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546517","13.8754","0.0011","14.2531","0.0012","17.5717","0.0014","90","","90","","90","","3475.1","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DBXS","","","- C17 H19 B F6 S -","- C17 H19 B F6 S -","- C136 H152 B8 F48 S8 -","8","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0306","0.0279","","","0.0694","0.072","","","","","","0.98","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546518","8.8605","0.0008","12.7157","0.0014","13.9809","0.0014","90","","90","","90","","1575.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0722","0.0445","","","0.0826","0.0914","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546519","10.159","0.004","9.48","0.004","29.456","0.01","90","","90","","90","","2836.8","1.9","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O3 -","- C17 H11 F3 O3 -","- C136 H88 F24 O24 -","8","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.1075","0.0635","","","0.1258","0.1409","","","","","","1.081","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546520","5.4622","0.0003","15.8611","0.001","19.1121","0.001","90","","90","","90","","1655.81","0.16","139","2","139","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 F3 O S -","- C21 H13 F3 O S -","- C84 H52 F12 O4 S4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.064","0.0418","","","0.0755","0.0826","","","","","","1.051","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546521","8.8354","0.0004","12.2152","0.0005","14.1439","0.0007","90","","90","","90","","1526.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br F3 N O -","- C17 H11 Br F3 N O -","- C68 H44 Br4 F12 N4 O4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0409","0.0317","","","0.0566","0.059","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546522","9.7785","0.0007","24.6674","0.0017","11.7616","0.0008","90","","112.19","0.002","90","","2626.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br2 N2 O2 -","- C31 H26 Br2 N2 O2 -","- C124 H104 Br8 N8 O8 -","4","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0607","0.0374","","","0.0723","0.08","","","","","","1.043","","","","has coordinates","200758","2020-10-21","18:00:00",""
"1546524","9.1369","0.0002","9.5857","0.0003","11.5538","0.0003","81.1656","0.0012","75.102","0.0011","71.2285","0.0011","923.11","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.","Organic letters","2017","19","14","3843","3846","10.1021/acs.orglett.7b01721","","","0.71073","MoKα","","0.0699","0.0604","","","0.1697","0.1814","","","","","","1.046","","","","has coordinates","200757","2020-10-21","18:00:00",""
"1546525","14.2444","0.0005","19.1938","0.0006","14.3952","0.0006","90","","24.1526","0.0007","90","","1610.37","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 O6 Zn -","- C34 H46 O6 Zn -","- C68 H92 O12 Zn2 -","2","0.5","","Nishimoto, Yoshihiro; Kang, Kyoungmin; Yasuda, Makoto","Regio- and Stereoselective Anti-Carbozincation of Alkynyl Ethers Using ZnBr2 toward (Z)-β-Zincated Enol Ether Synthesis","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01847","","","0.71075","MoKα","","0.0423","0.0395","","","0.1211","0.1247","","","","","","1.092","","","","has coordinates","198687","2020-10-21","18:00:00",""
"1546527","39.283","0.005","7.0114","0.0009","7.3524","0.0009","90","","94.433","0.002","90","","2019","0.4","297","2","297","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O7.5 -","- C20 H32 O7.5 -","- C80 H128 O30 -","4","1","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0639","0.0602","","","0.1627","0.164","","","","","","1.013","","","","has coordinates,has disorder","200756","2020-10-21","18:00:00",""
"1546528","20.6097","0.0011","8.9853","0.0004","21.9169","0.0008","90","","90","","90","","4058.7","0.3","298.84","0.1","298.84","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C168 H184 N8 O40 S8 -","8","1","","Li, Xing-Shuo; Zhao, Liang-Liang; Wang, Xiao-Ke; Cao, Li−Li; Shi, Xiao-Qian; Zhang, Rui; Qi, Jing","Enantioselective [3 + 2] Annulation of Enals with 2-Aminoacrylates Catalyzed by N-Heterocyclic Carbene","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01860","","x-ray","0.71073","MoKα","","0.1231","0.0633","","","0.1358","0.1752","","","","","","1.044","","","","has coordinates","198695","2020-10-21","18:00:00",""
"1546529","9.3234","0.0009","9.9427","0.001","13.0102","0.0013","78.305","0.003","78.596","0.003","73.067","0.003","1117.35","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","N,N-Dibenzyl-1,2-dimethyl-5-tosyl-1H-imidazol-4-amine","","- C26 H27 N3 O2 S -","- C26 H27 N3 O2 S -","- C52 H54 N6 O4 S2 -","2","1","","Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno","Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles.","Organic letters","2017","19","14","3815","3818","10.1021/acs.orglett.7b01678","","","1.54178","CuKα","","0.0375","0.0365","","","0.0939","0.0947","","","","","","1.069","","","","has coordinates","200760","2020-10-21","18:00:00",""
"1546530","9.7034","0.0014","11.4834","0.0018","12.9123","0.0017","91.785","0.003","100.949","0.003","98.523","0.003","1394.4","0.3","93","2","93","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi","Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C‒O Arylation of Dimethoxyanthraquinones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01666","","","0.71075","MoKα","","0.1086","0.0571","","","0.1744","0.2128","","","","","","0.976","","","","has coordinates","198697","2020-10-21","18:00:00",""
"1546531","5.4448","0.0019","15.148","0.005","18.847","0.006","108.948","0.006","100.966","0.007","91.599","0.007","1436.6","0.8","93","2","93","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi","Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C‒O Arylation of Dimethoxyanthraquinones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01666","","","0.71075","MoKα","","0.202","0.0917","","","0.2307","0.3212","","","","","","0.96","","","","has coordinates","198697","2020-10-21","18:00:00",""
"1546532","28.3369","0.0004","28.3369","0.0004","58.9056","0.0013","90","","90","","120","","40963","1.2","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C56 H74 N21 O11 P2 -","- C56 H74 N21 O11 P2 -","- C336 H444 N126 O66 P12 -","6","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1571","0.1378","","","0.3698","0.3929","","","","","","1.355","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1546533","26.9085","0.0008","36.123","0.0011","41.16","0.003","90","","92.306","0.004","90","","39976","3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C498 H722 N171 O97 P16 S -","- C498 H722 N171 O97 P16 S -","- C996 H1444 N342 O194 P32 S2 -","2","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.2948","0.1303","","","0.3123","0.4534","","","","","","0.941","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1546534","22.1903","0.0003","31.9713","0.0004","61.8821","0.0004","76.0283","0.0008","79.8139","0.0008","73.4101","0.0011","40554.3","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C585 H888 N173 O108 P16 -","- C585 H888 N173 O108 P16 -","- C1170 H1776 N346 O216 P32 -","2","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1171","0.08","","","0.2302","0.271","","","","","","1.025","","","","has coordinates,has disorder","198705","2020-10-21","18:00:00",""
"1546535","28.2322","0.0003","28.4659","0.0003","39.1611","0.0005","72.431","0.001","82.444","0.001","60.389","0.001","26079.5","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C224 H354 N66 O38.61 P6 S4 -","- C224 H354 N66 O38.6135 P6 S4 -","- C896 H1416 N264 O154.454 P24 S16 -","4","2","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1375","0.1161","","","0.3604","0.3926","","","","","","1.671","","","","has coordinates,has disorder","198705","2020-10-21","18:00:00",""
"1546536","16.1035","0.0007","16.1035","0.0007","12.2637","0.0006","90","","90","","120","","2754.2","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- Co H48 Mo9 N6 O44 -","- Co H63 Mo9 N6 O44 -","- Co3 H189 Mo27 N18 O132 -","3","0.166667","","Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao","Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation","Nanoscale","2017","","","","","10.1039/C7NR04373B","","","0.71073","MoKα","","0.0392","0.0387","","","0.0861","0.0866","","","","","","1.091","","","","has coordinates","204139","2020-10-21","18:00:00",""
"1546537","11.432","0.002","10.997","0.002","11.725","0.002","90","","99.86","0.03","90","","1452.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H28 Mo6 N O32 -","- Co H32 Mo6 N2 O32 -","- Co2 H64 Mo12 N4 O64 -","2","0.5","","Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao","Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation","Nanoscale","2017","","","","","10.1039/C7NR04373B","","","0.71073","MoKα","","0.0617","0.0588","","","0.1064","0.1184","","","","","","1.026","","","","has coordinates,has disorder","198712","2020-10-21","18:00:00",""
"1546538","28.9533","0.0018","12.1295","0.0005","24.9285","0.0015","90","","113.233","0.007","90","","8044.7","0.9","100.1","0.14","100.1","0.14","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C352 H448 O64 -","16","2","","Ivanov, Maxim V.; Wadumethrige, Shriya H.; Wang, Denan; Rathore, Rajendra","Through-Space or Through-Bond? The Important Role of Cofaciality in Orbital Reordering and Its Implications for Hole (De)stabilization in Polychromophoric Assemblies","The Journal of Physical Chemistry C","2017","121","29","15639","","10.1021/acs.jpcc.7b05804","","","0.7107","MoKα","","0.0638","0.0473","","","0.148","0.1621","","","","","","1.071","","","","has coordinates","200716","2020-10-21","18:00:00",""
"1546539","16.9235","0.0014","9.5861","0.0007","9.9959","0.0007","90","","90","","90","","1621.6","0.2","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","PhCH(CH2CH2SEt)NHCOPh","","- C18 H21 N O S -","- C18 H21 N O S -","- C72 H84 N4 O4 S4 -","4","1","","Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka","Synthesis of Nonnatural Helical Polypeptide via Asymmetric Polymerization and Reductive Cleavage of N‒O Bond","Macromolecules","2017","50","14","5301","","10.1021/acs.macromol.7b01426","","","0.71075","MoKα","","0.1063","0.0579","","","0.0961","0.1097","","","","","","1.021","","","","has coordinates","200720","2020-10-21","18:00:00",""
"1546540","13.548","0.005","18.581","0.009","20.379","0.007","90","","100.01","0.02","90","","5052","4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DH-113","","- C36 H76 Nb O2 P3 Si6 -","- C36 H76 Nb O2 P3 Si6 -","- C144 H304 Nb4 O8 P12 Si24 -","4","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.287","0.0815","","","0.1404","0.1713","","","","","","0.826","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546541","20.237","0.003","15.315","0.002","9.1804","0.0013","90","","90","","90","","2845.3","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H30 Cl Ge Nb O3 -","- C32 H30 Cl Ge Nb O3 -","- C128 H120 Cl4 Ge4 Nb4 O12 -","4","0.5","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0599","0.0384","","","0.0834","0.0907","","","","","","1.066","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546542","8.5148","0.0006","23.2579","0.0016","12.0766","0.0008","90","","108.779","0.002","90","","2264.3","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H60 Nb O2 P3 Si Sn -","- C43 H60 Nb O2 P3 Si Sn -","- C86 H120 Nb2 O4 P6 Si2 Sn2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0782","0.0703","","","0.1707","0.1737","","","","","","1.233","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546543","8.418","0.0003","22.9239","0.0007","11.8653","0.0005","90","","107.548","0.0016","90","","2183.14","0.14","123","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","DH-34-2","","- C40 H60 Ge Nb O3 P3 Si -","- C40 H60 Ge Nb O3 P3 Si -","- C80 H120 Ge2 Nb2 O6 P6 Si2 -","2","1","","Filippou, Alexander C.; Hoffmann, David; Schnakenburg, Gregor","Triple bonds of niobium with silicon, germaniun and tin: the tetrylidyne complexes [(κ3-tmps)(CO)2NbE‒R] (E = Si, Ge, Sn; tmps = MeSi(CH2PMe2)3; R = aryl)","Chem. Sci.","2017","","","","","10.1039/C7SC02708G","","","0.71073","MoKα","","0.0305","0.0283","","","0.0666","0.0675","","","","","","1.027","","","","has coordinates","198734","2020-10-21","18:00:00",""
"1546544","14.5554","0.0003","7.8349","0.0001","15.1967","0.0003","90","","98.883","0.002","90","","1712.25","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0544","0.0443","","","0.1197","0.1293","","","","","","1.048","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546545","9.596","0.003","29.048","0.01","7.218","0.003","90","","108.926","0.013","90","","1903.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","0.71073","MoKα","","0.1053","0.0692","","","0.1972","0.2309","","","","","","1.077","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546546","12.1959","0.0004","6.6152","0.0002","19.9552","0.0007","90","","91.621","0.003","90","","1609.31","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N O2 -","- C19 H12 F3 N O2 -","- C76 H48 F12 N4 O8 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0864","0.0497","","","0.1327","0.1721","","","","","","0.857","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546547","5.5334","0.0001","43.1272","0.001","9.0409","0.0002","90","","97.636","0.002","90","","2138.39","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C96 H60 F24 N4 O16 -","4","1","","Raju, Selvam; Annamalai, Pratheepkumar; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium-Catalyzed C-H Bond Activation by Using Iminoquinone as a Directing Group and an Internal Oxidant or a Co-oxidant: Production of Dihydrophenanthridines, Phenanthridines, and Carbazoles.","Organic letters","2017","19","15","4134","4137","10.1021/acs.orglett.7b01956","","","1.54178","CuKα","","0.0812","0.0599","","","0.1548","0.1738","","","","","","1.039","","","","has coordinates","199595","2020-10-21","18:00:00",""
"1546548","11.1451","0.0016","15.552","0.002","6.9737","0.001","90","","98.57","0.002","90","","1195.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C64 H44 N12 -","4","1","","Yang, Yuan; Yu, Jiang-Xi; Ouyang, Xuan-Hui; Li, Jin-Heng","Complex Annulations through Silver Carbenoid Intermediate: An Alternative Entry to Transformations of 1,2,3-Triazoles.","Organic letters","2017","19","15","3982","3985","10.1021/acs.orglett.7b01682","","","0.71073","MoKα","","0.075","0.0687","","","0.2132","0.2244","","","","","","1.061","","","","has coordinates","200764","2020-10-21","18:00:00",""
"1546549","7.9367","0.0005","11.4018","0.0005","16.9261","0.0008","90","","90","","90","","1531.69","0.14","294.06","0.1","294.06","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Zeng, Jun; Zhang, Dong-Bo; Zhou, Pan-Pan; Zhang, Qi-Li; Zhao, Lei; Chen, Jian-Jun; Gao, Kun","Rauvomines A and B, Two Monoterpenoid Indole Alkaloids from Rauvolfia vomitoria.","Organic letters","2017","19","15","3998","4001","10.1021/acs.orglett.7b01723","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.0894","0.109","","","","","","1.075","","","","has coordinates","200765","2020-10-21","18:00:00",""
"1546550","9.0845","0.001","5.3436","0.0005","15.3509","0.0015","90","","95.567","0.004","90","","741.68","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-bromobutoxy)benzene","","- C14 H20 Br2 O2 -","- C14 H20 Br2 O2 -","- C28 H40 Br4 O4 -","2","0.5","HB4156","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","1,4-Bis(4-bromobutoxy)benzene","IUCrData","2017","2","7","x171004","","10.1107/S2414314617010045","","","0.71073","MoKα","","0.0324","0.0237","","","0.0489","0.0517","","","","","","1.056","","","","has coordinates,has Fobs","198836","2020-10-21","18:00:00",""
"1546551","7.4927","0.0006","15.2501","0.0019","8.5522","0.0009","90","","94.923","0.009","90","","973.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","","- C8 H9 N O2 S2 -","- C8 H9 N O2 S2 -","- C32 H36 N4 O8 S8 -","4","1","SU5381","Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine","Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","IUCrData","2017","2","7","x171018","","10.1107/S2414314617010185","","","0.7107","MoKα","","0.114","0.0583","","","0.1271","0.1545","","","","","","0.996","","","","has coordinates,has Fobs","198837","2020-10-21","18:00:00",""
"1546552","9.1211","0.0006","14.6521","0.0009","14.2448","0.0009","90","","104.037","0.001","90","","1846.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C80 H76 N12 O12 S4 -","4","1","ZQ4023","Ramli, Youssef; Guerrab, Walid; Moussaif, Ahmed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.","3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2017","2","7","x171041","","10.1107/S2414314617010410","","","0.71073","MoKα","","0.0572","0.0456","","","0.1267","0.1355","","","","","","1.071","","","","has coordinates,has Fobs","198838","2020-10-21","18:00:00",""
"1546553","8.8083","0.0011","6.6316","0.0009","15.068","0.002","90","","99.539","0.004","90","","868","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Creatininium phosphite","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium phosphite","","- C4 H10 N3 O4 P -","- C4 H10 N3 O4 P -","- C16 H40 N12 O16 P4 -","4","1","BT4053","Sindhusha, S.; Padma, C. M.; Gunasekaran, B.","Creatininium phosphite","IUCrData","2017","2","7","x171043","","10.1107/S2414314617010434","","","0.71073","MoKα","","0.105","0.0561","","","0.1311","0.1517","","","","","","1.097","","","","has coordinates,has Fobs","198839","2020-10-21","18:00:00",""
"1546554","3.7716","0.0006","10.3959","0.0015","12.328","0.0018","78.017","0.002","83.431","0.002","81.266","0.002","465.63","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C22 H20 N4 O4 -","2","1","WM4051","Lahmidi, Sanae; Abad, Nadeem; Boulhaoua, Mohammed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","IUCrData","2017","2","7","x170991","","10.1107/S2414314617009919","","","0.71073","MoKα","","0.0592","0.0488","","","0.1295","0.136","","","","","","0.997","","","","has coordinates,has Fobs","198840","2020-10-21","18:00:00",""
"1546555","7.4093","0.0004","7.9779","0.0003","8.625","0.0003","67.3","0.004","85.9","0.004","74.068","0.004","451.93","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(Ethoxycarbonothioylthio)propanoic acid","","- C6 H10 O3 S2 -","- C6 H10 O3 S2 -","- C12 H20 O6 S4 -","2","1","HG4023","Eyer, Lukas N.; McAdam, C. John; Simpson, Jim","2-(Ethoxycarbonothioylthio)propanoic acid","IUCrData","2017","2","7","x171035","","10.1107/S2414314617010355","","","1.54184","CuKα","","0.0485","0.0467","","","0.1253","0.128","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","198841","2020-10-21","18:00:00",""
"1546557","12.7971","0.0006","12.8687","0.0004","15.4609","0.0007","99.546","0.003","92.234","0.004","106.915","0.004","2391.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H64 Cl4 N4 O3 Si Zn2 -","- C43 H64 Cl4 N4 O3 Si Zn2 -","- C86 H128 Cl8 N8 O6 Si2 Zn4 -","2","1","","Yao, Shenglai; Xiong, Yun; Driess, Matthias","A New Area in Main-Group Chemistry: Zerovalent Monoatomic Silicon Compounds and Their Analogues","Accounts of Chemical Research","2017","","","","","10.1021/acs.accounts.7b00285","","","1.54184","CuKα","","0.0553","0.0522","","","0.1501","0.1537","","","","","","1.112","","","","has coordinates,has disorder","198859","2020-10-21","18:00:00",""
"1546558","6.5861","0.0014","11.262","0.003","27.326","0.006","90","","90","","90","","2026.8","0.8","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 I2 -","- C20 H26 I2 -","- C80 H104 I8 -","4","1","","Ogasawara, Masamichi; Sasa, Hirotaka; Hu, Hao; Amano, Yuta; Nakajima, Hikaru; Takenaga, Naoko; Nakajima, Kiyohiko; Kita, Yasuyuki; Takahashi, Tamotsu; Dohi, Toshifumi","Atropisomeric Chiral Diiododienes (Z,Z)-2,3-Di(1-iodoalkylidene)tetralins: Synthesis, Enantiomeric Resolution, and Application in Asymmetric Catalysis","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01876","","","0.71075","MoKα","","","0.0266","","","","0.0649","","","","","","1.027","","","","has coordinates","198863","2020-10-21","18:00:00",""
"1546559","20.1291","0.0004","36.079","0.003","5.9649","0.0001","90","","90","","90","","4331.9","0.4","85","2","85","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C192 H288 O32 -","16","1","","Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.","Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.","Organic letters","2017","19","15","3958","3961","10.1021/acs.orglett.7b01622","","","1.54178","CuKα","","0.0277","0.0276","","","0.0685","0.0686","","","","","","1.091","","","","has coordinates","200763","2020-10-21","18:00:00",""
"1546560","11.2281","0.0005","9.6521","0.0005","24.3706","0.0011","90","","101.793","0.002","90","","2585.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H26 O7 -","- C29 H26 O7 -","- C116 H104 O28 -","4","2","","Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin","Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01936","","","1.54178","CuKα","","0.044","0.0404","","","0.0984","0.1008","","","","","","1.038","","","","has coordinates","198865","2020-10-21","18:00:00",""
"1546561","5.4465","0.0003","12.4107","0.0007","14.8394","0.0009","90","","92.621","0.002","90","","1002.02","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 O5 S -","- C24 H20 O5 S -","- C48 H40 O10 S2 -","2","1","","Wang, Zhen; Wang, Tianli; Yao, Weijun; Lu, Yixin","Phosphine-Catalyzed Enantioselective [4 + 2] Annulation of o-Quinone Methides with Allene Ketones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01936","","","0.71073","MoKα","","0.0479","0.0358","","","0.087","0.092","","","","","","1.059","","","","has coordinates","198866","2020-10-21","18:00:00",""
"1546562","7.69085","0.00014","7.90495","0.00014","21.4299","0.0004","90","","90","","90","","1302.85","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Otaka, Junnosuke; Hashizume, Daisuke; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Koshino, Hiroyuki; Futamura, Yushi; Osada, Hiroyuki","Hitoyol A and B, Two Norsesquiterpenoids from the Basidiomycete Coprinopsis cinerea","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01784","","","1.54187","CuKα","","0.0403","0.0364","","","0.085","0.0861","","","","","","1.105","","","","has coordinates","198867","2020-10-21","18:00:00",""
"1546563","8.56023","0.00006","16.3196","0.00016","6.91885","0.00005","90","","94.8033","0.0007","90","","963.166","0.014","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 O4 -","- C8 H6 Br2 O4 -","- C32 H24 Br8 O16 -","4","1","","Simeth, Nadja; Kneuttinger, Andrea; Sterner, Reinhard; Koenig, Burkhard","Photochromic Coenzyme Q Derivatives: Switching Redox Potentials with Light","Chem. Sci.","2017","","","","","10.1039/C7SC00781G","","x-ray","1.54184","CuKα","","0.0276","0.0271","","","0.0685","0.0688","","","","","","1.191","","","","has coordinates","198869","2020-10-21","18:00:00",""
"1546564","21.5686","0.0012","5.8077","0.0003","18.0356","0.001","90","","110.13","0.0016","90","","2121.2","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","CG-P2-L1-EtOAc N-(2-pyridylmethyl)-2,2-biimidazole","","- C12 H11 N5 -","- C12 H11 N5 -","- C96 H88 N40 -","8","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0479","0.0421","","","0.1138","0.1188","","","","","","1.083","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546565","17.386","0.002","19.378","0.003","19.435","0.003","92.996","0.005","106.71","0.005","106.56","0.004","5946.6","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","CG-P2-A3-D7 [N-(4-pyridylmethyl)-2,2-biimidazole]2, 1,2-diiodotetrafluorobenzene","","- C30 H22 F4 I2 N10 -","- C30 H22 F4 I2 N10 -","- C240 H176 F32 I16 N80 -","8","4","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0968","0.0621","","","0.1752","0.1994","","","","","","1.174","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546566","17.295","0.002","4.8014","0.0007","21.977","0.003","90","","90.912","0.011","90","","1824.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N5 O4 -","- C18 H21 N5 O4 -","- C72 H84 N20 O16 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.1074","0.0595","","","0.1513","0.1791","","","","","","1.018","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546567","5.493","0.002","10.339","0.004","10.611","0.004","112.83","0.02","99.24","0.03","94.16","0.03","542.1","0.4","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H11 N5 -","- C12 H11 N5 -","- C24 H22 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.13","0.0892","","","0.2307","0.2587","","","","","","1.101","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546568","6.4269","0.0001","9.9656","0.0002","13.5194","0.0003","96.691","0.001","95.686","0.001","100.603","0.001","838.84","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C38 H34 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","1.54178","CuKα","","0.0421","0.0415","","","0.1034","0.1038","","","","","","1.133","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546569","5.0716","0.0009","11.314","0.002","14.051","0.003","90.818","0.007","99.19","0.006","99.925","0.006","783.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P1-A1-HBD1 N-(2-pyridylmethyl)-2,2-biimidazole, HOOC-(CH2)2-COOH","","- C16 H17 N5 O4 -","- C16 H17 N5 O4 -","- C32 H34 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0501","0.0418","","","0.1147","0.1226","","","","","","1.034","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546570","5.0691","0.0014","8.055","0.002","19.75","0.005","93.952","0.013","93.442","0.012","105.938","0.016","771","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 I N5 -","- C15 H11 F2 I N5 -","- C30 H22 F4 I2 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0276","0.0236","","","0.0617","0.0768","","","","","","1.218","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546571","5.1948","0.0002","10.8967","0.0003","18.2317","0.0006","105.579","0.001","95.607","0.001","100.104","0.001","967.21","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N5 O4 -","- C20 H25 N5 O4 -","- C40 H50 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","1.54178","CuKα","","0.0474","0.0471","","","0.1147","0.115","","","","","","1.094","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546572","16.0707","0.0015","9.0666","0.0008","14.861","0.0014","90","","107.218","0.003","90","","2068.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CG-P2-A2-D10 N-(3-pyridylmethyl)-2,2-biimidazole, 1,3,5-F3-2,4,6-I3-benzene","","- C18 H11 F3 I3 N5 -","- C18 H11 F3 I3 N5 -","- C72 H44 F12 I12 N20 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0263","0.022","","","0.0476","0.0496","","","","","","1.03","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546573","7.028","0.002","9.024","0.003","13.602","0.004","90.229","0.019","91.564","0.017","93.223","0.016","860.9","0.5","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C38 H34 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0438","0.036","","","0.0923","0.098","","","","","","1.048","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546574","7.49","0.003","9.841","0.004","15.253","0.005","90","","99.072","0.017","90","","1110.2","0.7","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N5 -","- C12 H11 N5 -","- C48 H44 N20 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0512","0.0393","","","0.0852","0.0919","","","","","","1.082","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546575","5.2936","0.0003","7.9437","0.0005","22.8847","0.0013","81.583","0.005","85.5","0.006","70.615","0.005","897.53","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N5 O2 -","- C18 H22 N5 O2 -","- C36 H44 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0973","0.0654","","","0.1401","0.1569","","","","","","1.095","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546576","8.0078","0.0017","10.167","0.002","18.969","0.004","79.276","0.006","82.529","0.005","70.64","0.005","1427.7","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A2-HBD2 [N-(3-pyridylmethyl)-2,2-biimidazole]2, HOOC-(CH2)4-COOH","","- C30 H32 N10 O4 -","- C30 H32 N10 O4 -","- C60 H64 N20 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0524","0.0444","","","0.1298","0.1399","","","","","","1.083","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546577","5.4649","0.0017","11.66","0.004","12.493","0.004","84.163","0.017","80.913","0.013","76.728","0.013","763.3","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 I N5 -","- C15 H11 F2 I N5 -","- C30 H22 F4 I2 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0199","0.0189","","","0.0502","0.0508","","","","","","1.138","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546578","5.7402","0.001","9.3514","0.0016","14.973","0.003","97.467","0.005","91.771","0.006","97.861","0.005","788.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A2-HBD2 [N-(3-pyridylmethyl)-2,2-biimidazole]2, HOOC-(CH2)8-COOH","","- C34 H40 N10 O4 -","- C34 H40 N10 O4 -","- C34 H40 N10 O4 -","1","0.5","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0648","0.0484","","","0.1324","0.1436","","","","","","1.115","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546579","13.4945","0.0009","14.8017","0.001","19.3714","0.0013","111.285","0.002","92.518","0.002","112.668","0.002","3249.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","CG-P2-A3-D9 [N-(4-pyridylmethyl)-2,2-biimidazole]2, 1,4-diiodotetrafluorobenzene","","- C31 H26 F4 I2 N10 O -","- C31 H26 F4 I2 N10 O -","- C124 H104 F16 I8 N40 O4 -","4","2","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0357","0.0275","","","0.0615","0.0654","","","","","","1.039","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546580","4.8081","0.0007","11.021","0.0017","14.819","0.002","97.881","0.006","91.543","0.006","90.181","0.006","777.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A3-HBD1 N-(4-pyridylmethyl)-2,2-biimidazole, HOOC-(CH2)2-COOH","","- C16 H17 N5 O4 -","- C16 H17 N5 O4 -","- C32 H34 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0714","0.0519","","","0.1419","0.1585","","","","","","1.066","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546581","10.256","0.008","10.256","0.008","13.16","0.01","90","","90","","90","","1384.2","1.9","113","2","113","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H16 N10 Ni S4 -","- C28 H16 N10 Ni S4 -","- C56 H32 N20 Ni2 S8 -","2","0.25","","Xue, Dan; Luo, Su-Ping; Zhan, Shu-Zhong","A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer","New Journal of Chemistry","2017","41","16","8503","8508","10.1039/C7NJ01705G","","","0.71073","MoKα","","0.0713","0.0678","","","0.1619","0.1654","","","","","","1.031","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546583","11.1958","0.0007","21.7534","0.0014","14.9104","0.0008","90","","95.643","0.002","90","","3613.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H36.5 Cl3 N O8 P Pd S -","- C30 H36.5 Cl3 N O8 P Pd S -","- C120 H146 Cl12 N4 O32 P4 Pd4 S4 -","4","1","","Gaikwad, Shahaji R.; Deshmukh, Satej S.; Koshti, Vijay S.; Poddar, Suparna; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Chikkali, Samir H.","Reactivity of Difunctional Polar Monomers and Ethylene Copolymerization: A Comprehensive Account","Macromolecules","2017","50","15","5748","","10.1021/acs.macromol.7b01356","","","0.71073","MoKα","","0.0939","0.0843","","","0.2271","0.2342","","","","","","1.114","","","","has coordinates","200721","2020-10-21","18:00:00",""
"1546584","19.1131","0.0019","19.1131","0.0019","14.8158","0.0016","90","","90","","90","","5412.4","1","183","2","183.15","","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C29 H26 Au Cl N2 O2 -","- C29 H26 Au Cl N2 O2 -","- C232 H208 Au8 Cl8 N16 O16 -","8","0.5","","McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan","Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02153D","","","0.71073","MoKα","","0.0319","0.0292","","","0.0618","0.0658","","","","","","1.072","","","","has coordinates","198905","2020-10-21","18:00:00",""
"1546585","22.04","0.003","16.674","0.002","14.2441","0.0017","90","","90","","90","","5234.6","1.1","150","2","150.15","","","","","","","","","7","P n a 21","P 2c -2n","33","[Bis(NQMes)Au][AgCl2]","","","- C58 H52 Ag Au Cl2 N4 O4 -","- C58 H52 Ag Au Cl2 N4 O4 -","- C232 H208 Ag4 Au4 Cl8 N16 O16 -","4","1","","McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan","Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02153D","","","0.71073","MoKα","","0.0297","0.0238","","","0.0645","0.0672","","","","","","1.037","","","","has coordinates","198905","2020-10-21","18:00:00",""
"1546586","8.473","0.005","5.922","0.005","15.324","0.005","90","0.005","91.525","0.005","90","0.005","768.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Kuwar, Anil; Torawane, Pritam D.; Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; thangaraj, anand; Sahoo, Suban K.; Borse, Amulrao Uttamrao","A novel terephthalaldehyde based turn-on fluorescent chemosensor for Cu2+ and its application in living cells imaging","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00182G","","","1.54184","CuKα","","0.0861","0.0619","","","0.157","0.2223","","","","","","1.256","","","","has coordinates","198912","2020-10-21","18:00:00",""
"1546587","14.6454","0.0008","12.0415","0.0005","15.1149","0.0009","90","","115.621","0.007","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C96 H104 Cl8 N16 O16 -","8","1","HB4159","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","7","x171052","","10.1107/S2414314617010525","","","1.54184","CuKα","","0.052","0.0447","","","0.1191","0.1283","","","","","","1.034","","","","has coordinates,has Fobs","198921","2020-10-21","18:00:00",""
"1546588","4.5801","0.0009","10.87","0.002","10.971","0.002","101.043","0.003","98.854","0.003","99.868","0.003","518.21","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","SJ4127","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","7","x171057","","10.1107/S2414314617010574","","","0.71073","MoKα","","0.1079","0.0902","","","0.2708","0.2811","","","","","","1.028","","","","has coordinates,has Fobs","198922","2020-10-21","18:00:00",""
"1546589","16.376","0.002","9.9864","0.0014","36.605","0.005","90","","99.419","0.004","90","","5905.6","1.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","","- C72 H76 B2 N4 Ni S2 -","- C72 H76 B2 N4 Ni S2 -","- C288 H304 B8 N16 Ni4 S8 -","4","0.5","BV4008","Meloccaro, Alexandra; Zimmerman, Joshua R.; Eichhorn, David M.","Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate","IUCrData","2017","2","7","x171067","","10.1107/S2414314617010677","","","0.71073","MoKα","","0.0932","0.0542","","","0.0983","0.1091","","","","","","1.046","","","","has coordinates,has Fobs","198923","2020-10-21","18:00:00",""
"1546590","9.308","0.0002","30.611","0.0008","8.38","0.0002","90","","96.194","0.002","90","","2373.75","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bruceollina H","6-hydroxy-3,3-dimethylcyclopenta[b]indole-1,2(3H,4H)-dione","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Scarpi, Dina; Faggi, Cristina; Occhiato, Ernesto G.","Total Synthesis of Bruceolline I.","Journal of natural products","2017","80","8","2384","2388","10.1021/acs.jnatprod.7b00311","","x-ray","1.54178","CuKα","","0.072","0.0512","","","0.1221","0.1406","","","","","","1.056","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546591","17.429","0.011","12.471","0.008","13.016","0.008","90","","90","","90","","2829","3","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.0914","0.0525","","","0.1326","0.1683","","","","","","1.023","","","","has coordinates","200761","2020-10-21","18:00:00",""
"1546592","19.9133","0.0015","19.9133","0.0015","11.122","0.0009","90","","90","","90","","4410.3","0.6","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C192 H216 N24 O32 -","8","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","x-ray","0.71073","MoKα","","0.0424","0.0424","","","0.05","0.05","","","","1.03","1.03","1.03","","","","has coordinates","200761","2020-10-21","18:00:00",""
"1546593","12.906","0.008","7.767","0.004","12.122","0.007","90","","117.06","0.02","90","","1082.1","1.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","1","","Zhao, Yi; Mandadapu, Vijaybabu; Iranmanesh, Hasti; Beves, Jonathon E.; Day, Anthony I.","The Inheritance Angle: A Determinant for the Number of Members in the Substituted Cucurbit[n]uril Family.","Organic letters","2017","","","","","10.1021/acs.orglett.7b01786","","","0.71073","MoKα","","0.0413","0.0375","","","0.0997","0.1025","","","","","","1.055","","","","has coordinates","198929","2020-10-21","18:00:00",""
"1546594","8.6843","0.0001","14.2721","0.0002","17.1469","0.0003","90","","90","","90","","2125.24","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Wang, Ya-Ni; Wang, Bao-Cheng; Zhang, Mao-Mao; Gao, Xiao-Wen; Li, Tian-Ren; Lu, Liang-Qiu; Xiao, Wen-Jing","Hydrogen Bond Direction Enables Palladium-Catalyzed Branch- and Enantioselective Allylic Aminations and Beyond.","Organic letters","2017","19","15","4094","4097","10.1021/acs.orglett.7b01794","","","1.54178","CuKα","","0.0309","0.0308","","","0.0781","0.0782","","","","","","1.084","","","","has coordinates","200762","2020-10-21","18:00:00",""
"1546595","5.8336","0.0004","8.0111","0.0006","25.951","0.0017","90","","90","","90","","1212.78","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Fang, Lizhen; Liu, Saisai; Han, Lili; Li, Huanhuan; Zhao, Fangfei","Ruthenium-Catalyzed Synthesis of <i>cis</i> -2,3-Dihydrobenzofuran-3-ols by Aqueous Transfer Hydrogenation via Dynamic Kinetic Resolution","Organometallics","2017","36","7","1217","1219","10.1021/acs.organomet.7b00022","","x-ray","1.54184","CuKα","","0.0362","0.034","","","0.0884","0.091","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546596","8.516","0.0004","11.6325","0.0005","12.4299","0.0005","86.573","0.002","72.136","0.002","83.904","0.002","1164.86","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 P -","- C32 H25 P -","- C64 H50 P2 -","2","1","","Rawe, Benjamin W.; Brown, Christopher M.; MacKinnon, Marc R.; Patrick, Brian O.; Bodwell, Graham J.; Gates, Derek P.","A C-Pyrenyl Poly(methylenephosphine): Oxidation “Turns On” Blue Photoluminescence in Solution and the Solid State","Organometallics","2017","36","14","2520","","10.1021/acs.organomet.6b00880","","x-ray","0.71073","MoKα","","0.0711","0.0499","","","0.1189","0.1269","","","","","","1.066","","","","has coordinates","201752","2020-10-21","18:00:00",""
"1546597","11.585","0.002","18.121","0.003","14.653","0.003","90","","99.339","0.003","90","","3035.4","1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N7 O10 S -","- C28 H33 N7 O10 S -","- C112 H132 N28 O40 S4 -","4","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0712","0.0678","","","0.1943","0.1972","","","","","","1.093","","","","has coordinates","199596","2020-10-21","18:00:00",""
"1546598","10.9681","0.0006","12.3253","0.0005","12.9362","0.0005","90","","90","","90","","1748.78","0.14","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang","Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00438","","","0.71073","MoKα","","0.0378","0.0306","","","0.07","0.0743","","","","","","1.056","","","","has coordinates","198987","2020-10-21","18:00:00",""
"1546599","14.3337","0.0006","6.8499","0.0004","18.7839","0.0008","90","","95.751","0.004","90","","1835","0.15","174.7","","174.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C84 H88 N8 O8 S4 -","4","1","","Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang","Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00438","","","0.71073","MoKα","","0.0506","0.0388","","","0.0953","0.1036","","","","","","1.048","","","","has coordinates","198988","2020-10-21","18:00:00",""
"1546600","8.4373","0.0003","6.1045","0.0002","22.251","0.0008","90","","92.183","0.002","90","","1145.22","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O4 S2 -","- C23 H27 N3 O4 S2 -","- C46 H54 N6 O8 S4 -","2","1","","Fu, Liangbing; Davies, Huw M. L.","Scope of the Reactions of Indolyl- and Pyrrolyl-Tethered N-Sulfonyl-1,2,3-triazoles: Rhodium(II)-Catalyzed Synthesis of Indole- and Pyrrole-Fused Polycyclic Compounds.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00180","","","1.54178","CuKα","","0.0385","0.0378","","","0.0987","0.0994","","","","","","1.02","","","","has coordinates,has disorder","198990","2020-10-21","18:00:00",""
"1546601","12.864","0.0019","14.501","0.002","16.567","0.003","90","","90","","90","","3090.4","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0477","0.0345","","","0.0786","0.085","","","","","","1.043","","","","has coordinates","199593","2020-10-21","18:00:00",""
"1546602","24.743","0.009","9.58","0.004","7.166","0.003","90","","100.81","0.008","90","","1668.5","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0951","0.0558","","","0.116","0.1529","","","","","","1.103","","","","has coordinates","199593","2020-10-21","18:00:00",""
"1546603","27.0189","0.0006","14.0226","0.0004","7.2637","0.0002","90","","90","","90","","2752.04","0.13","175","0.14","175","0.14","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H22 Br2 O6 P2 -","- C30 H22 Br2 O6 P2 -","- C120 H88 Br8 O24 P8 -","4","0.5","","Essid, I.; Laborde, C.; Legros, F.; Sevrain, N.; Touil, S.; Rolland, M.; Ayad, T.; Volle, J.-N.; Pirat, J.-L.; Virieux, D.","Phosphorus-Containing Bis-allenes: Synthesis and Heterocyclization Reactions Mediated by Iodine or Copper Dibromide.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00648","","x-ray","1.54184","CuKα","","0.074","0.0558","","","0.1473","0.168","","","","","","1.015","","","","has coordinates","198993","2020-10-21","18:00:00",""
"1546604","10.0327","0.0002","8.5099","0.0002","13.3176","0.0003","90","","98.664","0.001","90","","1124.05","0.04","205","","205","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O2 -","- C25 H40 O2 -","- C50 H80 O4 -","2","1","","Shao, Jie; Chen, Qing-Wen; Lv, Hua-Jun; He, Juan; Liu, Zhi-Feng; Lu, Yan-Na; Liu, Hai-Li; Wang, Guo-Dong; Wang, Yong","(+)-Thalianatriene and (-)-Retigeranin B Catalyzed by Sesterterpene Synthases from Arabidopsis thaliana.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00586","","","1.54178","CuKα","","0.031","0.0302","","","0.0809","0.0816","","","","","","1.029","","","","has coordinates","198994","2020-10-21","18:00:00",""
"1546605","8.6658","0.0004","9.3186","0.0006","10.85","0.0006","86.299","0.006","89.117","0.006","72.381","0.005","833.32","0.08","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 F7 N O3 S -","- C18 H8 F7 N O3 S -","- C36 H16 F14 N2 O6 S2 -","2","1","","Asanuma, Yuki; Eguchi, Hiroshi; Nishiyama, Hiroki; Tomita, Ikuyoshi; Inagi, Shinsuke","Synthesis of Ring-Fused Pyridinium Salts by Intramolecular Nucleophilic Aromatic Substitution Reaction and Their Optoelectronic Properties.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00590","","","0.71075","MoKα","","0.0541","0.0414","","","0.0923","0.0979","","","","","","1.064","","","","has coordinates","198995","2020-10-21","18:00:00",""
"1546606","8.275","0.001","8.3407","0.0009","11.0735","0.001","69.659","0.005","83.463","0.006","74.09","0.005","689.03","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 F8 N2 O6 S2 -","- C30 H16 F8 N2 O6 S2 -","- C30 H16 F8 N2 O6 S2 -","1","0.5","","Asanuma, Yuki; Eguchi, Hiroshi; Nishiyama, Hiroki; Tomita, Ikuyoshi; Inagi, Shinsuke","Synthesis of Ring-Fused Pyridinium Salts by Intramolecular Nucleophilic Aromatic Substitution Reaction and Their Optoelectronic Properties.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00590","","","0.71075","MoKα","","0.0556","0.0433","","","0.0981","0.1035","","","","","","1.082","","","","has coordinates","198995","2020-10-21","18:00:00",""
"1546607","7.631","0.0004","8.0161","0.0004","16.2346","0.0009","90","","90","","90","","993.08","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C40 H36 F12 O12 -","4","1","","Smith, David T.; Vitaku, Edon; Njardarson, Jon T.","Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products.","Organic letters","2017","19","13","3508","3511","10.1021/acs.orglett.7b01479","","","0.71073","MoKα","","0.0292","0.0284","","","0.0724","0.0744","","","","","","1.1017","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546608","4.9314","0.0006","9.4371","0.0011","13.4664","0.0015","75.537","0.005","83.093","0.005","78.25","0.005","592.53","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 F6 O3 -","- C12 H8 F6 O3 -","- C24 H16 F12 O6 -","2","1","","Smith, David T.; Vitaku, Edon; Njardarson, Jon T.","Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products.","Organic letters","2017","19","13","3508","3511","10.1021/acs.orglett.7b01479","","","0.71073","MoKα","","0.0374","0.0316","","","0.0817","0.0852","","","","","","1.057","","","","has coordinates","200742","2020-10-21","18:00:00",""
"1546609","18.38","0.007","28.155","0.011","8.802","0.003","90","","90","","90","","4555","3","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H25 B N3 O -","- C28 H25 B N3 O -","- C224 H200 B8 N24 O8 -","8","1","","Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan","Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.","Organic letters","2017","19","8","2026","2029","10.1021/acs.orglett.7b00601","","x-ray","0.71073","MoKα","","0.0942","0.0598","","","0.1653","0.1818","","","","","","1.087","","","","has coordinates","199589","2020-10-21","18:00:00",""
"1546610","8.0355","0.0018","10.362","0.002","15.234","0.003","90","","90","","90","","1268.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O S -","- C12 H19 N O S -","- C48 H76 N4 O4 S4 -","4","1","","Yu, Hui; Gao, Bao; Hu, Bin; Huang, Hanmin","Charge-Transfer Complex Promoted C-N Bond Activation for Ni-Catalyzed Carbonylation.","Organic letters","2017","19","13","3520","3523","10.1021/acs.orglett.7b01488","","","0.71073","MoKα","","0.0415","0.0389","","","0.1034","0.1054","","","","","","1.094","","","","has coordinates","200746","2020-10-21","18:00:00",""
"1546611","20.604","0.002","11.3027","0.0011","16.5652","0.0016","90","","127.042","0.005","90","","3079.2","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 Cl2 N3 O -","- C15 Cl2 N3 O -","- C120 Cl16 N24 O8 -","8","1","","Panda, Subhankar; Maity, Pradip; Manna, Debasis","Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00313","","","0.71073","MoKα","","0.0963","0.0689","","","0.1706","0.1836","","","","","","1.073","","","","has coordinates","199000","2020-10-21","18:00:00",""
"1546612","7.2695","0.0002","11.4642","0.0004","17.2756","0.0007","96.328","0.002","101.12","0.002","94.76","0.002","1396.05","0.08","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C16 N5 -","- C16 N5 -","- C64 N20 -","4","2","","Panda, Subhankar; Maity, Pradip; Manna, Debasis","Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00313","","","0.71073","MoKα","","0.098","0.0804","","","0.1703","0.1778","","","","","","1.013","","","","has coordinates","199000","2020-10-21","18:00:00",""
"1546613","5.7596","0.0003","17.4769","0.0008","16.4078","0.0008","90","","95.079","0.003","90","","1645.12","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cl F N3 -","- C20 H13 Cl F N3 -","- C80 H52 Cl4 F4 N12 -","4","1","","Panda, Subhankar; Maity, Pradip; Manna, Debasis","Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00313","","","0.71073","MoKα","","0.1369","0.112","","","0.2195","0.2301","","","","","","1.011","","","","has coordinates","199000","2020-10-21","18:00:00",""
"1546614","6.572","0.005","9.09","0.005","12.884","0.005","77.172","0.005","75.946","0.005","79.191","0.005","720.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 F2 O2 -","- C18 H14 F2 O2 -","- C36 H28 F4 O4 -","2","1","","Chang, Jian; Xu, Cong; Gao, Jie; Gao, Fengyun; Zhu, Dongsheng; Wang, Mang","Me3SiCF2Br-Self-Assisted Domino Reaction: Catalytic Synthesis of α,α-Difluorocyclopentanones from Methylvinylketones.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00611","","","0.71069","MoKα","","0.0846","0.0592","","","0.1626","0.1839","","","","","","1.046","","","","has coordinates","199001","2020-10-21","18:00:00",""
"1546615","6.6836","0.0014","27.722","0.006","27.939","0.006","90","","96.193","0.003","90","","5146.4","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Br6 N12 O6 -","- C42 H18 Br6 N12 O6 -","- C168 H72 Br24 N48 O24 -","4","1","","Lu, Yao; Fu, Zhan-Da; Guo, Qing-Hui; Wang, Mei-Xiang","O6-Corona[6]arenes with Expanded Cavities for Specific Complexation with C70.","Organic letters","2017","19","7","1590","1593","10.1021/acs.orglett.7b00409","","","0.71073","MoKα","","0.0567","0.0515","","","0.1183","0.1211","","","","","","1.141","","","","has coordinates","199594","2020-10-21","18:00:00",""
"1546616","11.5361","0.0003","7.8544","0.0003","15.7254","0.0005","90","","93.296","0.003","90","","1422.51","0.08","120","0.1","120","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H16 Cl N5 O -","- C13 H16 Cl N5 O -","- C52 H64 Cl4 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","1.54184","CuKα","","0.0493","0.0421","","","0.111","0.1185","","","","","","1.038","","","","has coordinates","199597","2020-10-21","18:00:00",""
"1546617","6.36858","0.0001","17.0054","0.0003","17.2914","0.0003","90","","90","","90","","1872.66","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.0877","0.0896","","","","","","1.054","","","","has coordinates","199590","2020-10-21","18:00:00",""
"1546618","13.2053","0.0005","5.3447","0.0002","15.9599","0.0007","90","","93.674","0.001","90","","1124.11","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Xu, Xue; Wang, Yong; Cui, Xin; Wojtas, Lukasz; Zhang, Peter","Metalloradical Activation of α-Formyldiazoacetates for Catalytic Asymmetric Radical Cyclopropanation of Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC00658F","","","1.54178","CuKα","","0.0267","0.0258","","","0.0595","0.0604","","","","","","1.07","","","","has coordinates","199006","2020-10-21","18:00:00",""
"1546619","9.8953","0.0004","12.1959","0.0005","12.3731","0.0005","110","0.004","107.743","0.003","96.007","0.003","1299.51","0.11","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Cl4 N4 Ni2 -","- C54 H76 Cl4 N4 Ni2 -","- C54 H76 Cl4 N4 Ni2 -","1","0.5","","Kang, Byungjoon; Hong, Soon Hyeok","Photoredox Mediated Nickel Catalyzed C(sp3)‒H Thiocarbonylation of Ethers","Chem. Sci.","2017","","","","","10.1039/C7SC02516E","","x-ray","1.54184","CuKα","","0.0604","0.0535","","","0.1521","0.1583","","","","","","1.06","","","","has coordinates,has disorder","199007","2020-10-21","18:00:00",""
"1546620","9.5654","0.0007","10.5731","0.0008","13.0829","0.0009","103.702","0.002","107.842","0.002","96.75","0.002","1197.54","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","MSU0048","","- C25 H29 N2 O4 S2 -","- C25 H29 N2 O4 S2 -","- C50 H58 N4 O8 S4 -","2","1","","Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin","Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC02576A","","","0.71073","MoKα","","0.0461","0.0346","","","0.0897","0.0936","","","","","","1.068","","","","has coordinates,has disorder","199008","2020-10-21","18:00:00",""
"1546621","43.257","0.003","7.7831","0.0005","14.4728","0.0009","90","","95.035","0.004","90","","4853.8","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","MSU0049","","- C25 H25 Cl N2 O4 S2 -","- C25 H25 Cl N2 O4 S2 -","- C200 H200 Cl8 N16 O32 S16 -","8","1","","Zhou, Hui; Chaminda Lakmal, Hetti Handi; Baine, Jonathan; Valle, Henry; Xu, Xue; Cui, Xin","Catalytic [2+2+2] Cycloaddition with Indium(III)-Activated Formaldimines: A Practical and Selective Access to Hexahydropyrimidines and 1,3-Diamines from Alkenes","Chem. Sci.","2017","","","","","10.1039/C7SC02576A","","","0.71073","MoKα","","0.0439","0.0376","","","0.0957","0.0995","","","","","","1.052","","","","has coordinates","199008","2020-10-21","18:00:00",""
"1546622","7.2451","0.00014","9.38179","0.00017","10.91846","0.00019","90","","90.4932","0.0016","90","","742.12","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N3 O5 -","- C16 H13 N3 O5 -","- C32 H26 N6 O10 -","2","1","","Cheng, Li-Jie; Brown, Alexander P., N.; Cordier, Christopher J.","Enantioselective Propargylic [1,3]-Rearrangements: Copper-Catalyzed O-to-N Migrations Toward C‒N Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC01042G","","","1.54184","CuKα","","0.0341","0.0293","","","0.0686","0.0727","","","","","","1.093","","","","has coordinates","199009","2020-10-21","18:00:00",""
"1546623","21.9182","0.0009","6.1752","0.0003","14.8927","0.0006","90","","100.846","0.004","90","","1979.71","0.15","135","","135","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C76 H112 O12 Si4 -","4","2","","Zhang, Yu; Liao, Yuting; Liu, Xiaohua; Xu, Xi; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Hydroxylative Dearomatization of 2-Naphthols: Synthesis of Lacinilene Derivatives","Chem. Sci.","2017","","","","","10.1039/C7SC02809A","","x-ray","1.54184","CuKα","","0.0671","0.0608","","","0.1649","0.1857","","","","","","1.074","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546624","12.778","0.011","5.158","0.004","14.363","0.012","90","","98.059","0.013","90","","937.3","1.3","93","2","93","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.098","0.0703","","","0.1237","0.1354","","","","","","1.011","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546625","8.001","0.004","11.525","0.006","20.641","0.01","90","","96.436","0.009","90","","1891.3","1.6","93","2","93","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.0709","0.0518","","","0.1171","0.1291","","","","","","1.019","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546626","7.56","0.004","20.153","0.011","23.743","0.012","90","","90","","90","","3617","3","93","2","93","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.0846","0.0775","","","0.1591","0.1627","","","","","","1.3","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546627","7.167","0.002","8.726","0.003","13.947","0.004","90","","96.375","0.004","90","","866.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","","- C16 H18 N4 O2 Se2 -","- C16 H18 N4 O2 Se2 -","- C32 H36 N8 O4 Se4 -","2","0.5","HB4154","Guo, Zhiqiang; Wang, Yakong; Xu, Ying; Wei, Xuehong","2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)","IUCrData","2017","2","6","x170882","","10.1107/S2414314617008823","","","0.71073","MoKα","","0.0358","0.0301","","","0.0742","0.0769","","","","","","1.058","","","","has coordinates,has Fobs","199221","2020-10-21","18:00:00",""
"1546628","8.3161","0.0002","9.9302","0.0005","33.0414","0.0011","90","","90","","90","","2728.58","0.18","295","2","295","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","","- C29 H45 N O5 -","- C29 H45 N O5 -","- C116 H180 N4 O20 -","4","1","FF4016","Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Hernández Linares, María-Guadalupe; Bernès, Sylvain","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","IUCrData","2017","2","4","x170491","","10.1107/S2414314617004916","","","0.56083","AgKα","","0.0767","0.0439","","","0.0949","0.1065","","","","","","0.924","","","","has coordinates,has Fobs","199222","2020-10-21","18:00:00",""
"1546629","7.6932","0.0008","10.1152","0.0008","20.9336","0.0017","90","","90","","90","","1629","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cystosinium tartarate monohydrate","","- C12 H18 N6 O9 -","- C12 H18 N6 O9 -","- C48 H72 N24 O36 -","4","1","BX4005","Jaikumar, P.; Sundar, T. V.; Sharmila, N.; Balakrishnan, T.; Ramamurthi, K.","Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate","IUCrData","2017","2","3","x170448","","10.1107/S2414314617004485","","","0.71073","MoKα","","0.0452","0.036","","","0.0819","0.0867","","","","","","1.11","","","","has coordinates,has Fobs","199223","2020-10-21","18:00:00",""
"1546630","3.8919","0.0001","20.4831","0.0006","11.258","0.0004","90","","92.757","0.001","90","","896.43","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C36 H28 N12 O12 -","4","1","LH4020","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; El Karkour, Meryeme; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone","IUCrData","2017","2","6","x170831","","10.1107/S2414314617008318","","","1.54178","CuKα","","0.0628","0.0496","","","0.1304","0.1403","","","","","","1.031","","","","has coordinates,has Fobs","199224","2020-10-21","18:00:00",""
"1546631","9.9251","0.0004","12.2293","0.0004","15.1738","0.0005","84.318","0.002","78.538","0.002","89.88","0.002","1795.86","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","2","SU4146","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one","IUCrData","2017","2","4","x170534","","10.1107/S241431461700534X","","","0.71073","MoKα","","0.0663","0.0452","","","0.1122","0.1252","","","","","","1.014","","","","has coordinates,has Fobs","199225","2020-10-21","18:00:00",""
"1546632","8.3013","0.0005","13.1934","0.0008","15.3583","0.0009","103.241","0.003","105.47","0.003","93.046","0.003","1566.3","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","","- C15 H16 N3 O3.5 S -","- C15 H16 N3 O3.5 S -","- C60 H64 N12 O14 S4 -","4","2","TK4031","Bouissane, Latifa; Mojahidi, Souad; Rakib, El Mostapha; Chicha, Hakima; Saadi, Mohamed; El Ammari, Lahcen","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate","IUCrData","2017","2","5","x170645","","10.1107/S2414314617006459","","","0.71073","MoKα","","0.0655","0.0428","","","0.1099","0.1258","","","","","","1.009","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1546633","8.2805","0.0003","8.6053","0.0003","12.2396","0.0004","103.519","0.003","99.935","0.003","105.188","0.003","792.56","0.05","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","","- C15 H10 F6 O3 S -","- C15 H10 F6 O3 S -","- C30 H20 F12 O6 S2 -","2","1","BT4055","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170981","","10.1107/S2414314617009816","","","0.71073","MoKα","","0.0361","0.0298","","","0.0781","0.0802","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","199227","2020-10-21","18:00:00",""
"1546634","17.5297","0.0008","12.1853","0.0006","12.0781","0.0004","90","","90","","90","","2579.94","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","HB4132","Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T.","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","IUCrData","2017","2","4","x170581","","10.1107/S2414314617005818","","","0.71073","MoKα","","0.0437","0.034","","","0.0782","0.0843","","","","","","1.039","","","","has coordinates,has Fobs","199228","2020-10-21","18:00:00",""
"1546635","4.3949","0.0004","9.9144","0.0008","13.1376","0.0011","98.481","0.001","90.755","0.001","97.377","0.001","561.19","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C20 H20 Cl2 N6 O6 -","2","1","SJ4104","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol","IUCrData","2017","2","5","x170637","","10.1107/S241431461700637X","","","0.71073","MoKα","","0.0652","0.0467","","","0.144","0.1512","","","","","","1.061","","","","has coordinates,has Fobs","199229","2020-10-21","18:00:00",""
"1546636","9.0503","0.0007","5.9762","0.0005","16.3508","0.0012","90","","102.732","0.001","90","","862.61","0.12","103","","103","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","ZQ4021","Moriwaki, Ryoji; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one","IUCrData","2017","2","7","x170979","","10.1107/S2414314617009798","","","0.71073","MoKα","","0.0321","0.0307","","","0.0726","0.0735","","","","","","1.035","","","","has coordinates,has Fobs","199230","2020-10-21","18:00:00",""
"1546637","8.7453","0.0013","8.6888","0.001","9.2511","0.0011","90","","95.936","0.008","90","","699.19","0.16","92","2","92","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","LH4018","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate","IUCrData","2017","2","4","x170500","","10.1107/S2414314617005004","","","0.71073","MoKα","","0.0503","0.0449","","","0.0948","0.0981","","","","","","1.088","","","","has coordinates,has Fobs","199231","2020-10-21","18:00:00",""
"1546638","9.7437","0.0003","12.2437","0.0003","26.8215","0.001","90","","90","","90","","3199.78","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a]</i>phenanthrene-3,7,12-triyl triacetate","","- C33 H48 O8 -","- C33 H48 O8 -","- C132 H192 O32 -","4","1","","Kavitha, T.; Anandkumar, Devaraj; Rajakumar, Perumal; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7,12-triyl triacetate","IUCrData","2017","2","3","x170436","","10.1107/S2414314617004369","","","0.71073","MoKα","","0.048","0.0349","","","0.0806","0.089","","","","","","0.975","","","","has coordinates,has Fobs","199232","2020-10-21","18:00:00",""
"1546639","7.1335","0.0005","10.6863","0.0005","11.883","0.0006","99.856","0.004","93.53","0.005","101.937","0.005","868.75","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","","- C16 H22 N4 S2 -","- C16 H22 N4 S2 -","- C32 H44 N8 S4 -","2","1","SU4149","Partl, Gabriel; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione)","IUCrData","2017","2","4","x170599","","10.1107/S2414314617005995","","","0.71073","MoKα","","0.0328","0.0287","","","0.0694","0.0718","","","","","","1.054","","","","has coordinates,has Fobs","199233","2020-10-21","18:00:00",""
"1546640","6.8116","0.0002","7.2402","0.0002","13.4826","0.0003","96.943","0.002","90.862","0.002","106.139","0.002","633.21","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","","- C16 H9 F O4 -","- C16 H9 F O4 -","- C32 H18 F2 O8 -","2","1","HB7657","Ziki, Eric; Sosso, Siaka; Cissé, Lamine; Bany, Guy Euloge; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate","IUCrData","2017","2","4","x170550","","10.1107/S2414314617005508","","","1.54184","CuKα","","0.0394","0.0355","","","0.0963","0.0998","","","","","","1.092","","","","has coordinates,has Fobs","199234","2020-10-21","18:00:00",""
"1546641","7.307","0.0011","8.7763","0.0013","11.2927","0.0013","91.059","0.011","107.867","0.012","109.814","0.014","642.36","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C32 H22 N2 O6 -","2","1","VM4026","Filali Baba, Yassir; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","7","x171072","","10.1107/S2414314617010720","","","1.54184","CuKα","","0.0738","0.0487","","","0.1181","0.1417","","","","","","1.019","","","","has coordinates,has Fobs","199235","2020-10-21","18:00:00",""
"1546642","6.2315","0.0003","15.5466","0.0008","18.9162","0.001","90","","98.845","0.001","90","","1810.78","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C20 H17 Cl N2 O3 S -","- C20 H17 Cl N2 O3 S -","- C80 H68 Cl4 N8 O12 S4 -","4","1","WM4044","Ellouz, Mohamed; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170646","","10.1107/S2414314617006460","","","0.71073","MoKα","","0.0504","0.0408","","","0.1175","0.1229","","","","","","1.087","","","","has coordinates,has Fobs","199236","2020-10-21","18:00:00",""
"1546643","13.9601","0.0002","11.1172","0.0002","16.7313","0.0003","90","","96.019","0.001","90","","2582.34","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","RZ4014","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione","IUCrData","2017","2","5","x170639","","10.1107/S2414314617006393","","","0.71073","MoKα","","0.0831","0.0445","","","0.1093","0.1296","","","","","","1.037","","","","has coordinates,has Fobs","199237","2020-10-21","18:00:00",""
"1546644","27.4679","0.0006","9.5818","0.0002","20.2584","0.0005","90","","117.398","0.001","90","","4733.78","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","","- C23 H23 Cl N2 O4 S -","- C23 H23 Cl N2 O4 S -","- C184 H184 Cl8 N16 O32 S8 -","8","1","SU4155","Mague, Joel T.; Al-Taifi, Elham A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.","Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","IUCrData","2017","2","6","x170868","","10.1107/S2414314617008689","","","1.54178","CuKα","","0.0604","0.0575","","","0.1625","0.1656","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","199238","2020-10-21","18:00:00",""
"1546645","13.6968","0.0012","12.1053","0.001","9.6353","0.0007","90","","105.17","0.003","90","","1541.9","0.2","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","HB4140","Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate","IUCrData","2017","2","5","x170649","","10.1107/S2414314617006496","","","0.71073","MoKα","","0.0933","0.0461","","","0.1117","0.1329","","","","","","1.023","","","","has coordinates,has Fobs","199239","2020-10-21","18:00:00",""
"1546646","22.569","0.006","5.1097","0.0013","13.497","0.003","90","","90","","90","","1556.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","","- C15 H20 Br N3 O2 -","- C15 H20 Br N3 O2 -","- C60 H80 Br4 N12 O8 -","4","1","ZQ4022","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","IUCrData","2017","2","7","x170984","","10.1107/S2414314617009841","","","0.71073","MoKα","","0.0917","0.068","","","0.1472","0.156","","","","","","1.064","","","","has coordinates,has Fobs","199240","2020-10-21","18:00:00",""
"1546647","5.3483","0.0001","14.1861","0.0004","19.1408","0.0005","90","","97.451","0.001","90","","1439.98","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","VM4024","Sahbi, Azzeddine; Fichtali, Ismail; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Kandri Rodi, Youssef","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","6","x170944","","10.1107/S2414314617009440","","","1.54178","CuKα","","0.0477","0.0398","","","0.0919","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","199241","2020-10-21","18:00:00",""
"1546648","11.6978","0.0006","7.1331","0.0004","21.1822","0.0012","90","","95.311","0.004","90","","1759.89","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","HB4137","Viswanathan, Vijayan; Yasmin, Sabina; Jayaprakash, Venkatesan; Velmurugan, Devadasan","<i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide","IUCrData","2017","2","5","x170716","","10.1107/S2414314617007167","","","0.71073","MoKα","","0.1993","0.0541","","","0.1379","0.2116","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","199242","2020-10-21","18:00:00",""
"1546649","9.784","0.001","10.291","0.001","21.58","0.02","90","","99.528","0.011","90","","2143","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","BT4049","Archana, K.; Saravanan, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.","3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide","IUCrData","2017","2","5","x170721","","10.1107/S2414314617007210","","","0.71073","MoKα","","0.0789","0.057","","","0.1562","0.1783","","","","","","1.06","","","","has coordinates,has Fobs","199243","2020-10-21","18:00:00",""
"1546650","5.8882","0.0007","16.418","0.003","18.894","0.003","90","","95.016","0.005","90","","1819.5","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","SU4147","Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma","8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one","IUCrData","2017","2","4","x170535","","10.1107/S2414314617005351","","","0.71073","MoKα","","0.1491","0.0613","","","0.1486","0.1974","","","","","","1.01","","","","has coordinates,has Fobs","199244","2020-10-21","18:00:00",""
"1546651","12.035","0.0005","24.5052","0.0009","4.9909","0.0002","90","","90","","90","","1471.92","0.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SJ4112","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","IUCrData","2017","2","5","x170706","","10.1107/S2414314617007064","","","1.54178","CuKα","","0.0484","0.0446","","","0.1108","0.1139","","","","","","1.075","","","","has coordinates,has Fobs","199245","2020-10-21","18:00:00",""
"1546652","20.4402","0.0006","20.4402","0.0006","5.7266","0.0004","90","","90","","90","","2392.58","0.19","173","2","173","2","","","","","","","","4","I -4","I -4","82","","(Benzylthiolato-κ<i>S</i>)phenylmercury(II)","","- C13 H12 Hg S -","- C13 H12 Hg S -","- C104 H96 Hg8 S8 -","8","1","SJ4103","Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","(Benzylthiolato-κS)phenylmercury(II)","IUCrData","2017","2","4","","","10.1107/S241431461700503X","","","0.71073","MoKα","","0.0428","0.0351","","","0.07","0.0749","","","","","","1.042","","","","has coordinates,has Fobs","199246","2020-10-21","18:00:00",""
"1546653","26.407","0.001","14.3718","0.0005","12.9624","0.0005","90","","108.312","0.002","90","","4670.3","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C24 H38 N2 O2 -","- C24 H38 N2 O2 -","- C192 H304 N16 O16 -","8","1","HG4021","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","4","x170520","","10.1107/S241431461700520X","","","1.54178","CuKα","","0.1128","0.072","","","0.1763","0.2028","","","","","","1.023","","","","has coordinates,has Fobs","199247","2020-10-21","18:00:00",""
"1546654","33.5367","0.0015","5.5506","0.0002","14.7248","0.0007","90","","96.873","0.002","90","","2721.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","","- C12 H9 Cl N4 O4 S -","- C12 H9 Cl N4 O4 S -","- C96 H72 Cl8 N32 O32 S8 -","8","1","SU4143","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate","IUCrData","2017","2","3","x170465","","10.1107/S2414314617004655","","","0.71073","MoKα","","0.0568","0.0382","","","0.0976","0.1113","","","","","","1.029","","","","has coordinates,has Fobs","199248","2020-10-21","18:00:00",""
"1546655","14.054","0.0011","11.2639","0.0006","9.6184","0.0005","90","","90","","90","","1522.62","0.16","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","BH4024","González, Gerardo García; Unnamatla, M. V. Basavanag","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","IUCrData","2017","2","3","x170445","","10.1107/S241431461700445X","","","0.71073","MoKα","","0.0607","0.0559","","","0.1484","0.1539","","","","","","1.052","","","","has coordinates,has Fobs","199249","2020-10-21","18:00:00",""
"1546656","6.9243","0.0006","7.7262","0.0008","11.8168","0.0006","84.55","0.006","81.852","0.006","83.023","0.008","619.22","0.09","298","0.2","298","0.2","","","","","","","","3","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","","- C16 H10 O4 -","- C16 H10 O4 -","- C32 H20 O8 -","2","1","HB4144","Kambo, Konan René; Sosso, Siaka; Mansilla-Koblavi, F.; Djandé, Abdoulaye; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-3-yl benzoate","IUCrData","2017","2","5","x170663","","10.1107/S2414314617006630","","","0.71073","MoKα","","0.075","0.0509","","","0.1412","0.1589","","","","","","1.036","","","","has coordinates,has Fobs","199250","2020-10-21","18:00:00",""
"1546657","4.9634","0.0001","14.0708","0.0003","25.7168","0.0006","90","","90.602","0.001","90","","1795.94","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","","- C22 H18 N3 O3.5 -","- C22 H18 N3 O3.5 -","- C88 H72 N12 O14 -","4","1","VM4025","Filali Baba, Yassir; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate","IUCrData","2017","2","7","x171038","","10.1107/S2414314617010380","","","1.54178","CuKα","","0.066","0.0471","","","0.0959","0.1056","","","","","","1.036","","","","has coordinates,has Fobs","199251","2020-10-21","18:00:00",""
"1546658","13.9866","0.0006","7.9972","0.0004","23.122","0.001","90","","90","","90","","2586.3","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone","","- C12 H13 Cl2 N O2 -","- C12 H13 Cl2 N O2 -","- C96 H104 Cl16 N8 O16 -","8","1","SU4151","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G.","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis","IUCrData","2017","2","6","x170813","","10.1107/S2414314617008136","","","0.71073","MoKα","","0.0979","0.0483","","","0.1258","0.1638","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","199252","2020-10-21","18:00:00",""
"1546659","13.357","0.003","9.209","0.002","16.743","0.004","90","","113.277","0.003","90","","1891.8","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","0.5","HB4157","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione","IUCrData","2017","2","7","x171019","","10.1107/S2414314617010197","","","0.71073","MoKα","","0.0929","0.0615","","","0.1704","0.196","","","","","","1.037","","","","has coordinates,has Fobs","199253","2020-10-21","18:00:00",""
"1546660","33.8411","0.0007","4.7106","0.0001","18.0987","0.0004","90","","90.47","0.001","90","","2885.05","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C33 H47 N O S -","- C33 H47 N O S -","- C132 H188 N4 O4 S4 -","4","1","ZQ4019","Sebbar, Nada Kheira; Ellouz, Mohamed; Lahmidi, Sanae; Hlimi, Fouzia; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","5","x170695","","10.1107/S2414314617006952","","","1.54178","CuKα","","0.0544","0.0456","","","0.1134","0.1195","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","199254","2020-10-21","18:00:00",""
"1546661","5.7619","0.0002","22.1304","0.0006","13.6271","0.0004","90","","99.102","0.001","90","","1715.75","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","BT4037","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Albayati, Mustafa R.","2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol","IUCrData","2017","2","1","x170132","","10.1107/S2414314617001328","","","1.54178","CuKα","","0.0485","0.0381","","","0.0848","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","199255","2020-10-21","18:00:00",""
"1546662","8.5878","0.0008","9.0603","0.0008","12.8566","0.0012","85.076","0.007","82.558","0.007","70.917","0.008","936.4","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C22 H21 N5 O -","- C22 H21 N5 O -","- C44 H42 N10 O2 -","2","1","","Adardour, Mohamed; Loughzail, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam; Berraho, Moha","1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","IUCrData","2017","2","6","x170907","","10.1107/S2414314617009075","","","0.71073","MoKα","","0.0714","0.0535","","","0.1285","0.1428","","","","","","1.034","","","","has coordinates,has Fobs","199256","2020-10-21","18:00:00",""
"1546663","9.968","0.004","15.529","0.006","10.119","0.004","90","","102.558","0.009","90","","1528.9","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","2","SU4142","Raghuvarman, B.; Gayathri, Jayagopi; Selvan, Kumar Sangeetha; Sugumar, P.; Ponnuswamy, M. N.","(<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline","IUCrData","2017","2","4","x170540","","10.1107/S2414314617005405","","","0.71073","MoKα","","0.0905","0.0433","","","0.0759","0.0915","","","","","","0.988","","","","has coordinates,has Fobs","199257","2020-10-21","18:00:00",""
"1546664","12.8083","0.0008","14.637","0.001","18.9082","0.0012","106.916","0.002","98.406","0.002","110.635","0.002","3048.9","0.4","147","2","147","2","","","","","","","","8","P 1","P 1","1","","Chloridocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(diphenylphosphanyl)ethyl]-<i>N</i>'-[2-(dicyclohexylphosphanyl)ethylidenyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","","- C67 H72 B Br Fe N2 O P2 -","- C67 H72 B Br Fe N2 O P2 -","- C134 H144 B2 Br2 Fe2 N4 O2 P4 -","2","2","HB4129","Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Bromidocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(dicyclohexylphosphanyl)ethylidenyl]-<i>N</i>'-[2-(diphenylphosphanyl)ethyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate","IUCrData","2017","2","3","x170452","","10.1107/S2414314617004527","","","0.71073","MoKα","","0.0544","0.0403","","","0.0834","0.0892","","","","","","1.039","","","","has coordinates,has Fobs","199258","2020-10-21","18:00:00",""
"1546665","9.4093","0.0003","10.5822","0.0004","12.2844","0.0005","90","","107.64","0.001","90","","1165.66","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C8 H15 N O5 S -","- C8 H15 N O5 S -","- C32 H60 N4 O20 S4 -","4","2","HB4152","Laus, Gerhard; Wurst, Klaus; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","(<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide","IUCrData","2017","2","6","x170869","","10.1107/S2414314617008690","","","0.71073","MoKα","","0.0293","0.0271","","","0.072","0.0732","","","","","","1.043","","","","has coordinates,has Fobs","199259","2020-10-21","18:00:00",""
"1546666","5.6382","0.0011","13.622","0.003","20.662","0.004","90","","92.289","0.006","90","","1585.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","","- C14 H9 Cl4 N3 O2 -","- C14 H9 Cl4 N3 O2 -","- C56 H36 Cl16 N12 O8 -","4","1","","Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike","3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate","IUCrData","2017","2","4","x170580","","10.1107/S2414314617005806","","","0.71073","MoKα","","0.05","0.0399","","","0.1008","0.1085","","","","","","1.082","","","","has coordinates,has Fobs","199260","2020-10-21","18:00:00",""
"1546667","8.6864","0.0006","8.9925","0.0006","10.9872","0.0007","110.653","0.001","95.111","0.001","104.723","0.001","761.42","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","SJ4101","Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2017","2","4","x170493","","10.1107/S241431461700493X","","","0.71073","MoKα","","0.0541","0.0447","","","0.1235","0.1282","","","","","","1.086","","","","has coordinates,has Fobs","199261","2020-10-21","18:00:00",""
"1546668","6.9617","0.0017","7.5941","0.0019","9.464","0.002","86.06","0.02","82.118","0.019","67.102","0.018","456.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-2-methylpyridinium chloride","","- C9 H12 Cl N -","- C9 H12 Cl N -","- C18 H24 Cl2 N2 -","2","1","HB4138","Bentivoglio, Gino; Laus, Gerhard; Kahlenberg, Volker; Röder, Thomas; Schottenberger, Herwig","1-Allyl-2-methylpyridinium chloride","IUCrData","2017","2","4","x170598","","10.1107/S2414314617005983","","","0.71073","MoKα","","0.0328","0.0276","","","0.065","0.0669","","","","","","1.046","","","","has coordinates,has Fobs","199262","2020-10-21","18:00:00",""
"1546669","10.721","0.0002","13.7039","0.0002","11.5761","0.0002","90","","107.032","0.0006","90","","1626.16","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","RZ4016","Louroubi, Abdelhadi; Outouch, Rachid; Ait Ali, Mustapha; Spannenberg, Anke; El Firdoussi, Larbi","1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone","IUCrData","2017","2","6","x170895","","10.1107/S2414314617008951","","","0.71073","MoKα","","0.0433","0.0383","","","0.099","0.1039","","","","","","1.044","","","","has coordinates,has Fobs","199263","2020-10-21","18:00:00",""
"1546670","20.333","0.0004","14.2764","0.0003","4.5089","0.0001","90","","90","","90","","1308.85","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C13 H12 N6 O2 -","- C13 H12 N6 O2 -","- C52 H48 N24 O8 -","4","1","SJ4100","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Gaamoussi, Issam; Ouzidan, Younes","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170515","","10.1107/S2414314617005156","","","1.54178","CuKα","","0.0329","0.0292","","","0.0673","0.0697","","","","","","1.046","","","","has coordinates,has Fobs","199264","2020-10-21","18:00:00",""
"1546671","14.8643","0.0006","7.6795","0.0004","12.069","0.0005","90","","108.465","0.004","90","","1306.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C14 H12 Br N3 O -","- C14 H12 Br N3 O -","- C56 H48 Br4 N12 O4 -","4","1","SJ4128","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; El Hadrami, El Mestafa; Essassi, El Mokhtar","6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","7","x171071","","10.1107/S2414314617010719","","","1.54184","CuKα","","0.0509","0.039","","","0.0972","0.1072","","","","","","1.047","","","","has coordinates,has Fobs","199265","2020-10-21","18:00:00",""
"1546672","3.8872","0.0001","6.8386","0.0003","13.6279","0.0005","90","","93.303","0.002","90","","361.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-methylpyrazine-2-carboxylate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C14 H16 N4 O4 -","2","1","SJ4126","Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M.","Methyl 5-methylpyrazine-2-carboxylate","IUCrData","2017","2","7","x170997","","10.1107/S241431461700997X","","","0.71073","MoKα","","0.0303","0.029","","","0.0817","0.0827","","","","","","1.137","","","","has coordinates,has Fobs","199266","2020-10-21","18:00:00",""
"1546673","9.2518","0.0002","10.3432","0.0002","38.5674","0.0007","90","","90","","90","","3690.64","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H14 Cl N O2 S -","- C22 H14 Cl N O2 S -","- C176 H112 Cl8 N8 O16 S8 -","8","1","SJ4110","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2017","2","5","x170677","","10.1107/S2414314617006770","","","0.71073","MoKα","","0.0742","0.047","","","0.1117","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","199267","2020-10-21","18:00:00",""
"1546674","29.2234","0.0004","8.3076","0.0002","31.0407","0.0005","90","","101.859","0.002","90","","7375.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C352 H272 Cl16 N32 O32 -","16","2","SJ4123","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","6","x170901","","10.1107/S2414314617009014","","","1.54184","CuKα","","0.069","0.0527","","","0.144","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","199268","2020-10-21","18:00:00",""
"1546675","7.4984","0.0003","16.2805","0.0007","8.3363","0.0003","90","","97.403","0.004","90","","1009.19","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","HB4155","Mohamed Abdelahi, Mohamed Mokhtar; Sebbar, Nada Kheira; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar; Benchidmi, Mohammed","3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole","IUCrData","2017","2","7","x170972","","10.1107/S2414314617009725","","","1.54184","CuKα","","0.0513","0.0418","","","0.1062","0.1158","","","","","","1.026","","","","has coordinates,has Fobs","199269","2020-10-21","18:00:00",""
"1546676","9.6036","0.0002","10.806","0.0003","11.4686","0.0003","108.617","0.002","100.558","0.002","109.477","0.0012","1005.91","0.05","103","2","103","2","","","","","","","","3","P -1","-P 1","2","Dodecaallylhexasilacyclohexane","1,1,2,2,3,3,4,4,5,5,6,6-Dodecaallylhexasilinane","","- C36 H60 Si6 -","- C36 H60 Si6 -","- C36 H60 Si6 -","1","0.5","WM4048","Mizuhata, Yoshiyuki; Omatsu, Yamato; Tokitoh, Norihiro","Dodecaallylhexasilacyclohexane","IUCrData","2017","2","6","x170807","","10.1107/S2414314617008070","","","0.71075","MoKα","","0.0347","0.0324","","","0.0869","0.0886","","","","","","1.037","","","","has coordinates,has Fobs","199270","2020-10-21","18:00:00",""
"1546677","11.1688","0.0002","9.0576","0.0002","11.9237","0.0002","90","","106.77","0.001","90","","1154.93","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H25 F N4 O7 -","- C23 H25 F N4 O7 -","- C46 H50 F2 N8 O14 -","2","1","HB4145","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; El Hadrami, El Mestafa; Essassi, El Mokhtar","5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170739","","10.1107/S2414314617007398","","","1.54178","CuKα","","0.0325","0.0304","","","0.0723","0.0739","","","","","","1.071","","","","has coordinates,has Fobs","199271","2020-10-21","18:00:00",""
"1546678","16.158","0.003","3.996","0.0006","17.551","0.003","90","","115.316","0.005","90","","1024.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dibromo-8-methoxyquinoline","","- C10 H7 Br2 N O -","- C10 H7 Br2 N O -","- C40 H28 Br8 N4 O4 -","4","1","HB4142","Çelik, Ísmail; Ökten, Salih; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Çakmak, Osman; Özbakır, Rana","5,7-Dibromo-8-methoxyquinoline","IUCrData","2017","2","5","x170643","","10.1107/S2414314617006435","","","0.71073","MoKα","","0.0456","0.0276","","","0.0532","0.0589","","","","","","1.027","","","","has coordinates,has Fobs","199272","2020-10-21","18:00:00",""
"1546679","8.5948","0.0015","10.1942","0.0016","10.2572","0.0017","74.93","0.007","75.306","0.007","89.866","0.007","837.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","1","SU4154","Kaoukabi, Hanane; Taourirte, Moha; El Azhari, Mohamed; Lazrek, Hassan B.; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","6","x170816","","10.1107/S2414314617008161","","","0.71073","MoKα","","0.0573","0.0485","","","0.1361","0.1472","","","","","","1.048","","","","has coordinates,has Fobs","199273","2020-10-21","18:00:00",""
"1546680","8.8898","0.0008","8.9885","0.0009","12.1973","0.001","89.908","0.008","84.49","0.007","63.534","0.009","867.53","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C19 H18 Cl N O S -","- C19 H18 Cl N O S -","- C38 H36 Cl2 N2 O2 S2 -","2","1","SJ4118","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170870","","10.1107/S2414314617008707","","","1.54184","CuKα","","0.057","0.0494","","","0.1362","0.1458","","","","","","1.034","","","","has coordinates,has Fobs","199274","2020-10-21","18:00:00",""
"1546681","3.8145","0.0003","12.4829","0.001","17.4438","0.0015","90","","90","","90","","830.6","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dichloro-4-nitrotoluene","1,3-Dichloro-2-methyl-5-nitrobenzene","","- C7 H5 Cl2 N O2 -","- C7 H5 Cl2 N O2 -","- C28 H20 Cl8 N4 O8 -","4","1","LH4019","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Jeannin, Olivier; Meinnel, Jean","2,6-Dichloro-4-nitrotoluene","IUCrData","2017","2","5","x170672","","10.1107/S2414314617006721","","","0.7107","MoKα","","0.0327","0.0301","","","0.0645","0.0659","","","","","","1.068","","","","has coordinates,has Fobs","199275","2020-10-21","18:00:00",""
"1546682","7.7711","0.0006","10.9897","0.0011","11.409","0.0011","112.013","0.009","109.259","0.008","98.12","0.007","812.78","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","SJ4120","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine","IUCrData","2017","2","6","x170890","","10.1107/S2414314617008902","","","1.54184","CuKα","","0.0587","0.0484","","","0.1308","0.1402","","","","","","1.049","","","","has coordinates,has Fobs","199276","2020-10-21","18:00:00",""
"1546683","11.2363","0.0007","7.4063","0.0005","12.1247","0.0008","90","","111.051","0.001","90","","941.67","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","SJ4109","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole","IUCrData","2017","2","5","x170652","","10.1107/S2414314617006526","","","0.71073","MoKα","","0.0409","0.0361","","","0.1004","0.1028","","","","","","1.131","","","","has coordinates,has Fobs","199277","2020-10-21","18:00:00",""
"1546684","18.2838","0.0013","7.7956","0.0006","11.8081","0.0008","90","","100.393","0.003","90","","1655.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","SJ4116","Ghandour, Ismail; Mague, Joel T.; Bouayad, Abdelouahed; Chakroune, Said; Essassi, El Mokhtar; Kandri Rodi, Youssef","5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","IUCrData","2017","2","6","x170853","","10.1107/S2414314617008537","","","1.54178","CuKα","","0.0381","0.0354","","","0.0906","0.093","","","","","","1.048","","","","has coordinates,has Fobs","199278","2020-10-21","18:00:00",""
"1546685","8.1093","0.0003","9.1624","0.0005","14.6575","0.0007","90","","94.241","0.003","90","","1086.08","0.09","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Allyl-2,3-cyclopentenopyridinium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C44 H56 Cl4 N4 -","4","1","SJ4107","Partl, Gabriel; Bentivoglio, Gino; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Allyl-2,3-cyclopentenopyridinium chloride","IUCrData","2017","2","5","x170669","","10.1107/S2414314617006691","","","0.71073","MoKα","","0.0436","0.0343","","","0.0857","0.0919","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","199279","2020-10-21","18:00:00",""
"1546686","19.6067","0.0006","5.5438","0.0002","14.0069","0.0005","90","","99.911","0.002","90","","1499.77","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","HG4022","Benyahya, Mohamed Ali; El Azzaoui, Brahim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole","IUCrData","2017","2","7","x170647","","10.1107/S2414314617006472","","","1.54178","CuKα","","0.0674","0.0465","","","0.1003","0.1112","","","","","","1.052","","","","has coordinates,has Fobs","199280","2020-10-21","18:00:00",""
"1546687","7.133","0.0009","8.1155","0.0011","17.798","0.002","87.747","0.002","81.84","0.002","87.849","0.002","1018.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","","- C19 H12 Cl2 N2 O4 S3 -","- C19 H12 Cl2 N2 O4 S3 -","- C38 H24 Cl4 N4 O8 S6 -","2","1","WM4046","Watkins, Sydney M.; Hagen, Timothy J.; Perkins, Timothy S.; Zheng, Chong","(<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide","IUCrData","2017","2","6","x170865","","10.1107/S2414314617008653","","","0.71073","MoKα","","0.0382","0.0361","","","0.0943","0.0959","","","","","","1.04","","","","has coordinates,has Fobs","199281","2020-10-21","18:00:00",""
"1546688","13.1047","0.0016","4.031","0.0004","15.7631","0.0018","90","","105.72","0.004","90","","801.54","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Dibromo-6-methylpyridin-2-amine","","- C6 H6 Br2 N2 -","- C6 H6 Br2 N2 -","- C24 H24 Br8 N8 -","4","1","HB4147","Krishna Murthy, P.; Sreenivasa Rao, R.; Suneetha, V.; Giri, L.; Suchetan, P. A.","3,5-Dibromo-6-methylpyridin-2-amine","IUCrData","2017","2","5","x170728","","10.1107/S2414314617007283","","","0.71073","MoKα","","0.044","0.0381","","","0.1033","0.1083","","","","","","1.089","","","","has coordinates,has Fobs","199282","2020-10-21","18:00:00",""
"1546689","13.463","0.003","3.8694","0.0008","20.377","0.004","90","","101.023","0.003","90","","1041.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","SJ4111","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine","IUCrData","2017","2","5","x170684","","10.1107/S2414314617006848","","","0.71073","MoKα","","0.0523","0.0437","","","0.1199","0.1249","","","","","","1.038","","","","has coordinates,has Fobs","199283","2020-10-21","18:00:00",""
"1546690","8.9303","0.0015","15.572","0.003","9.4824","0.0016","90","","117.32","0.008","90","","1171.6","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","","- C25 H36 N2 O -","- C25 H36 N2 O -","- C50 H72 N4 O2 -","2","1","VM4022","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","IUCrData","2017","2","4","x170572","","10.1107/S2414314617005727","","","0.71073","MoKα","","0.083","0.0619","","","0.1678","0.1893","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199284","2020-10-21","18:00:00",""
"1546691","6.1657","0.0015","7.0875","0.0019","20.883","0.006","90","","90","","90","","912.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","","- C7 N4 S3 -","- C7 N4 S3 -","- C28 N16 S12 -","4","1","WM4053","Tomura, Masaaki","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","IUCrData","2017","2","7","x171023","","10.1107/S2414314617010239","","","0.71073","MoKα","","0.0463","0.0406","","","0.0975","0.103","","","","","","1.114","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"1546692","14.9353","0.0005","15.0367","0.0005","19.4231","0.0007","90","","98.13","0.002","90","","4318.2","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(<i>E</i>)-(3-Methylbenzylidene)amino]-6-(morpholin-4-yl)-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine","","- C23 H26 N6 O2 -","- C23 H26 N6 O2 -","- C184 H208 N48 O16 -","8","2","ZL4016","Morris, Patrick J.; Moore, Curtis; Thomas, Craig J.","Apilimod","IUCrData","2017","2","5","x170693","","10.1107/S2414314617006939","","","1.54178","CuKα","","0.0442","0.0379","","","0.0983","0.103","","","","","","1.041","","","","has coordinates,has Fobs","199286","2020-10-21","18:00:00",""
"1546693","10.1174","0.0005","19.0567","0.0008","14.0387","0.0007","90","","105.254","0.004","90","","2611.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C27 H32 Br N O5 -","- C27 H32 Br N O5 -","- C108 H128 Br4 N4 O20 -","4","1","HB4135","Mohamed, Shaaban K.; Dege, Necmi; Akkurt, Mehmet; Allah, Omyma A. Abd; Albayati, Mustafa R.","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","IUCrData","2017","2","4","x170573","","10.1107/S2414314617005739","","","0.71073","MoKα","","0.087","0.0454","","","0.0922","0.1052","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","199287","2020-10-21","18:00:00",""
"1546694","26.3932","0.0005","26.3932","0.0005","24.827","0.0005","90","","90","","120","","14977.5","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole","","- C72 H80 N6 O9 -","- C72 H80 N6 O9 -","- C648 H720 N54 O81 -","9","0.5","","Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole with an unknown solvent","IUCrData","2017","2","3","x170462","","10.1107/S241431461700462X","","","0.71073","MoKα","","0.1707","0.0643","","","0.1765","0.2217","","","","","","0.846","","","","has coordinates,has disorder,has Fobs","199288","2020-10-21","18:00:00",""
"1546695","10.5372","0.0004","10.5372","0.0004","29.971","0.0011","90","","90","","120","","2881.92","0.19","296","2","296","2","","","","","","","","5","P 61","P 61","169","","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","","- C18 H27 Cl2 N O -","- C18 H27 Cl2 N O -","- C108 H162 Cl12 N6 O6 -","6","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","IUCrData","2017","2","4","x170492","","10.1107/S2414314617004928","","","0.71073","MoKα","","0.0464","0.0392","","","0.1016","0.1086","","","","","","1.077","","","","has coordinates,has Fobs","199289","2020-10-21","18:00:00",""
"1546696","9.4118","0.0003","10.8934","0.0004","18.6996","0.0007","101.629","0.001","91.752","0.001","90.351","0.001","1876.83","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C80 H88 N16 O12 -","4","2","SJ4099","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; El Aroussi, Fatima; Ouzidan, Younes","4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170516","","10.1107/S2414314617005168","","","1.54178","CuKα","","0.063","0.0492","","","0.1462","0.1969","","","","","","1.064","","","","has coordinates,has Fobs","199290","2020-10-21","18:00:00",""
"1546697","12.9107","0.0007","17.872","0.0008","21.6094","0.0011","90","","95.0374","0.0016","90","","4966.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","","- C37 H76 B N3 O Si4 -","- C37 H76 B N3 O Si4 -","- C148 H304 B4 N12 O4 Si16 -","4","1","HB4136","Oberparleiter, Stefan; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Kunze-Liebhäuser, Julia; Schottenberger, Herwig","Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate","IUCrData","2017","2","5","x170724","","10.1107/S2414314617007246","","","0.71073","MoKα","","0.1089","0.0679","","","0.1721","0.1931","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","199291","2020-10-21","18:00:00",""
"1546698","7.7829","0.0003","7.4284","0.0003","21.9087","0.0007","90","","94.399","0.003","90","","1262.91","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","","- C11 H14 N2 O2 S2 -","- C11 H14 N2 O2 S2 -","- C44 H56 N8 O8 S8 -","4","1","FF4015","Nath, Paras; Bharty, Manoj K.; Butcher, Ray J.; Jasinski, Jerry P.","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide","IUCrData","2017","2","4","x170489","","10.1107/S2414314617004898","","","1.54178","CuKα","","0.0486","0.046","","","0.1217","0.1247","","","","","","1.075","","","","has coordinates,has Fobs","199292","2020-10-21","18:00:00",""
"1546699","8.4015","0.0006","9.0041","0.0006","9.1465","0.0007","114.214","0.003","101.275","0.004","90.978","0.003","615.19","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","SJ4106","El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one","IUCrData","2017","2","5","x170656","","10.1107/S2414314617006563","","","1.54178","CuKα","","0.0459","0.0412","","","0.104","0.1122","","","","","","1.063","","","","has coordinates,has Fobs","199293","2020-10-21","18:00:00",""
"1546700","7.2074","0.001","13.1851","0.0015","14.848","0.002","90","","102.505","0.014","90","","1377.5","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","XU4026","Yang, Fan; Li, Yang; Zhou, Shu-Jing","5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one","IUCrData","2017","2","4","x170490","","10.1107/S2414314617004904","","","0.71073","MoKα","","0.0937","0.0469","","","0.0914","0.1109","","","","","","0.978","","","","has coordinates,has Fobs","199296","2020-10-21","18:00:00",""
"1546701","6.767","0.005","6.817","0.005","15.864","0.005","90","","99.391","0.005","90","","722","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis[(oxan-2-yl)oxy]benzene","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","0.5","HB4130","Raj, Radhakrishnan Mohan; Lekha, Logu; Viswanathan, Vijayan; Velmurugan, Devadasan; Easwaramoorthy, Deivanayagam","1,4-Bis[(oxan-2-yl)oxy]benzene","IUCrData","2017","2","5","x170717","","10.1107/S2414314617007179","","","0.71073","MoKα","","0.0413","0.0326","","","0.0786","0.084","","","","","","1.094","","","","has coordinates,has Fobs","199297","2020-10-21","18:00:00",""
"1546702","47.514","0.008","7.1015","0.0011","6.1289","0.001","90","","96.037","0.009","90","","2056.5","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","1","SU4134","Faizi, Md. Serajul Haque; Dege, Necmi; Goleva, Kateryna","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","IUCrData","2017","2","4","x170548","","10.1107/S241431461700548X","","","0.71073","MoKα","","0.0722","0.0426","","","0.0821","0.0919","","","","","","1.005","","","","has coordinates,has Fobs","199298","2020-10-21","18:00:00",""
"1546703","4.8462","0.001","7.8042","0.0016","30.996","0.006","90","","90","","90","","1172.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(2,4,6-Trimethylphenyl)butan-2-one","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","","Zhang, Lang-Jing; Kou, Jun-Feng; Liu, Feng-Yi","4-(2,4,6-Trimethylphenyl)butan-2-one","IUCrData","2017","2","5","x170675","","10.1107/S2414314617006757","","","0.71073","MoKα","","0.131","0.0806","","","0.148","0.1684","","","","","","1.085","","","","has coordinates,has Fobs","199299","2020-10-21","18:00:00",""
"1546704","8.7148","0.0009","13.5652","0.0017","14.7832","0.0019","91.562","0.005","96.341","0.004","103.776","0.004","1684.4","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","4","HB4133","Perez, Matthew F.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","5,7-Dimethyl-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","3","x170444","","10.1107/S2414314617004448","","","0.71073","MoKα","","0.0885","0.0626","","","0.1701","0.1886","","","","","","1.103","","","","has coordinates,has Fobs","199300","2020-10-21","18:00:00",""
"1546705","33.2932","0.001","7.9284","0.0002","5.7903","0.0002","90","","90","","90","","1528.42","0.08","100","","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Biphenyl-4-yl 4-methylbenzenesulfonate","","- C19 H16 O3 S -","- C19 H16 O3 S -","- C76 H64 O12 S4 -","4","1","BT4056","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Biphenyl-4-yl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170982","","10.1107/S2414314617009828","","","0.71073","MoKα","","0.0315","0.0255","","","0.0557","0.057","","","","","","0.983","","","","has coordinates,has Fobs","199301","2020-10-21","18:00:00",""
"1546706","13.269","0.0006","15.6721","0.0007","7.2136","0.0003","90","","99.029","0.002","90","","1481.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","","- C15 H10 Br N3 O3 -","- C15 H10 Br N3 O3 -","- C60 H40 Br4 N12 O12 -","4","1","ZP4013","Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone","IUCrData","2017","2","4","x170559","","10.1107/S2414314617005594","","","0.71073","MoKα","","0.0602","0.0378","","","0.0923","0.1023","","","","","","1.046","","","","has coordinates,has Fobs","199302","2020-10-21","18:00:00",""
"1546707","22.1001","0.0008","6.7624","0.0002","24.5714","0.0007","90","","104.835","0.003","90","","3549.8","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","","- C23 H21 N2 O0.5 -","- C23 H21 N2 O0.5 -","- C184 H168 N16 O4 -","8","1","","Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","IUCrData","2017","2","7","x171070","","10.1107/S2414314617010707","","","1.54184","CuKα","","0.0741","0.0579","","","0.1538","0.1718","","","","","","1.07","","","","has coordinates,has Fobs","199303","2020-10-21","18:00:00",""
"1546708","25.6622","0.0008","8.7731","0.0003","10.3928","0.0003","90","","101.847","0.001","90","","2289.96","0.13","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C92 H104 N16 O28 -","4","1","BT4048","Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar","1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","5","x170670","","10.1107/S2414314617006708","","","1.54178","CuKα","","0.0257","0.0249","","","0.0634","0.0641","","","","","","1.024","","","","has coordinates,has Fobs","199304","2020-10-21","18:00:00",""
"1546709","8.7749","0.0007","9.9403","0.0007","10.4475","0.0008","76.03","0.006","66.511","0.007","85.843","0.006","810.76","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C19 H13 Br Cl N3 -","- C19 H13 Br Cl N3 -","- C38 H26 Br2 Cl2 N6 -","2","1","VM4023","Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2017","2","6","x170899","","10.1107/S2414314617008999","","","1.54184","CuKα","","0.0517","0.0443","","","0.1162","0.1244","","","","","","1.04","","","","has coordinates,has Fobs","199305","2020-10-21","18:00:00",""
"1546710","17.9752","0.0008","17.4403","0.0008","9.2472","0.0004","90","","102.892","0.001","90","","2825.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","2","BV4007","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid","IUCrData","2017","2","1","x170120","","10.1107/S2414314617001201","","","0.71073","MoKα","","0.0624","0.0478","","","0.1353","0.1455","","","","","","1.109","","","","has coordinates,has Fobs","199306","2020-10-21","18:00:00",""
"1546711","7.37174","0.00013","12.5726","0.0003","26.4454","0.0005","90","","90","","90","","2451.01","0.09","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","","- C11 H9 F3 N2 O3 S -","- C11 H9 F3 N2 O3 S -","- C88 H72 F24 N16 O24 S8 -","8","1","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","IUCrData","2017","2","5","x170689","","10.1107/S2414314617006897","","","0.71075","MoKα","","","0.0284","","","","0.0772","","","","","","1.036","","","","has coordinates,has Fobs","199307","2020-10-21","18:00:00",""
"1546712","13.9863","0.0005","7.8783","0.0003","18.5549","0.0007","90","","100.786","0.001","90","","2008.41","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","","- C9 H6 Br N3 O3 -","- C9 H6 Br N3 O3 -","- C72 H48 Br8 N24 O24 -","8","2","FF4017","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one","IUCrData","2017","2","5","x170660","","10.1107/S2414314617006605","","","0.71073","MoKα","","0.03","0.0233","","","0.0598","0.0615","","","","","","1.087","","","","has coordinates,has Fobs","199308","2020-10-21","18:00:00",""
"1546713","11.3277","0.0003","12.3257","0.0003","15.5274","0.0004","112.59","0.0006","90.7806","0.0007","92.9221","0.0007","1997.74","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","","- C18 H36 N2 P2 -","- C18 H36 N2 P2 -","- C72 H144 N8 P8 -","4","2","RZ4017","Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Rosenthal, Uwe","1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)","IUCrData","2017","2","6","x170903","","10.1107/S2414314617009038","","","0.71073","MoKα","","0.0481","0.035","","","0.0874","0.0949","","","","","","1.034","","","","has coordinates,has Fobs","199309","2020-10-21","18:00:00",""
"1546714","6.0108","0.0005","7.9243","0.0006","19.8388","0.0016","90","","94.271","0.004","90","","942.33","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","","- C10 H9 N S -","- C10 H9 N S -","- C40 H36 N4 S4 -","4","1","HB4134","Khan, Ezzat; Shahzad, Adnan; Tahir, M. Nawaz; Ateeq, Muhammad","(2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate","IUCrData","2017","2","4","x170549","","10.1107/S2414314617005491","","","0.71073","MoKα","","0.063","0.0426","","","0.1007","0.112","","","","","","1.047","","","","has coordinates,has Fobs","199310","2020-10-21","18:00:00",""
"1546715","13.3937","0.0008","8.9106","0.0004","13.394","0.0007","90","","99.765","0.005","90","","1575.36","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H12 Cl N O S -","- C18 H12 Cl N O S -","- C72 H48 Cl4 N4 O4 S4 -","4","1","SJ4119","Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","(<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2017","2","6","x170889","","10.1107/S2414314617008896","","","1.54184","CuKα","","0.0579","0.0488","","","0.1303","0.1376","","","","","","1.025","","","","has coordinates,has Fobs","199311","2020-10-21","18:00:00",""
"1546716","7.8066","0.0002","8.9238","0.0002","11.9303","0.0003","106.583","0.002","94.701","0.002","111.358","0.002","725.58","0.04","100","","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","","- C15 H16 O5 S -","- C15 H16 O5 S -","- C30 H32 O10 S2 -","2","1","BT4054","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","3,5-Dimethoxyphenyl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170980","","10.1107/S2414314617009804","","","0.71073","MoKα","","0.0366","0.0286","","","0.0749","0.0768","","","","","","1.051","","","","has coordinates,has Fobs","199312","2020-10-21","18:00:00",""
"1546717","9.894","0.0003","10.1125","0.0002","24.8655","0.0007","90","","95.096","0.001","90","","2478.04","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","","- C28 H29 N5 O -","- C28 H29 N5 O -","- C112 H116 N20 O4 -","4","1","SJ4117","Boukhssas, Salaheddine; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine","IUCrData","2017","2","6","x170860","","10.1107/S2414314617008604","","","0.71073","MoKα","","0.0439","0.0364","","","0.0979","0.1016","","","","","","1.059","","","","has coordinates,has Fobs","199313","2020-10-21","18:00:00",""
"1546718","15.6744","0.0012","6.9475","0.0005","11.988","0.0008","90","","90","","90","","1305.47","0.16","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","0.5","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","2-Isopropyl-4,7-dimethyl-1-nitronaphthalene","IUCrData","2017","2","4","x170584","","10.1107/S2414314617005843","","","0.71073","MoKα","","0.0468","0.0401","","","0.1033","0.11","","","","","","1.063","","","","has coordinates,has Fobs","199314","2020-10-21","18:00:00",""
"1546719","11.946","0.0001","13.218","0.0002","17.434","0.0002","109.348","0.001","96.35","0.001","98.881","0.002","2527.33","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,6-di-<i>tert</i>-butyl-2-{<i>N</i>-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","","- C50 H70 Co N4 O2 -","- C50 H70 Co N4 O2 -","- C100 H140 Co2 N8 O4 -","2","1","RZ4015","Rani, C.Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)","IUCrData","2017","2","6","","","10.1107/S2414314617007842","","","0.71073","MoKα","","0.0692","0.0492","","","0.1375","0.1464","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","199315","2020-10-21","18:00:00",""
"1546720","12.2269","0.0004","6.7034","0.0003","14.0817","0.0005","90","","90","","90","","1154.16","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","SJ4124","Filali Baba, Yassir; Kandri Rodi, Youssef; Hayani, Sonia; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","IUCrData","2017","2","6","x170917","","10.1107/S2414314617009178","","","1.54184","CuKα","","0.0503","0.0419","","","0.1125","0.1189","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199316","2020-10-21","18:00:00",""
"1546721","8.5041","0.0005","8.6959","0.0005","12.5024","0.0008","71.002","0.001","88.165","0.001","72.572","0.001","831.87","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","SJ4081","Ramli, Youssef; Akrad, Rachida; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Mague, Joel T.","Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate","IUCrData","2017","2","1","x170098","","10.1107/S2414314617000980","","","0.71073","MoKα","","0.0679","0.0467","","","0.1145","0.1302","","","","","","1.057","","","","has coordinates,has Fobs","199317","2020-10-21","18:00:00",""
"1546722","14.201","0.003","7.3285","0.0012","12.974","0.004","90","","105.89","0.02","90","","1298.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB4131","Manjunath, N. K.; Nabil Najib, A. A.; Nagendra, P.; Siddaraju, B. P; Swamy, M. T.; Byrappa, K.; Madan Kumar, S.","4-Chloro-2-nitro-1-(2-phenylethyl)benzene","IUCrData","2017","2","4","x170547","","10.1107/S2414314617005478","","","0.71073","MoKα","","0.124","0.0698","","","0.1766","0.2198","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","199318","2020-10-21","18:00:00",""
"1546723","7.5018","0.0003","7.6661","0.0003","21.4332","0.0009","93.743","0.001","94.776","0.001","106.197","0.001","1174.52","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","","- C23 H27 N9 O2 -","- C23 H27 N9 O2 -","- C46 H54 N18 O4 -","2","1","SU4153","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul","6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","IUCrData","2017","2","6","x170829","","10.1107/S241431461700829X","","","0.71073","MoKα","","0.0628","0.0452","","","0.1222","0.1329","","","","","","1.044","","","","has coordinates,has Fobs","199319","2020-10-21","18:00:00",""
"1546724","13.267","0.007","5.105","0.0018","18.866","0.009","90","","109.67","0.02","90","","1203.2","1","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C15 H9 Cl O3 -","- C15 H9 Cl O3 -","- C60 H36 Cl4 O12 -","4","1","ZL4017","Zingales, Sarah; Padgett, Clifford","2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","IUCrData","2017","2","7","x170996","","10.1107/S2414314617009968","","","0.71073","MoKα","","0.103","0.0593","","","0.1258","0.1482","","","","","","1.031","","","","has coordinates","199320","2020-10-21","18:00:00",""
"1546725","9.4087","0.0005","15.5422","0.0007","14.6143","0.0007","90","","91.077","0.001","90","","2136.7","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Gomathi, S.; Dravida Thendral, Era; Sivakumar, G.; Sabari, V.; Usha, G.","Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","IUCrData","2017","2","6","x170812","","10.1107/S2414314617008124","","","0.71073","MoKα","","0.0659","0.0482","","","0.1315","0.1463","","","","","","1.052","","","","has coordinates,has Fobs","199321","2020-10-21","18:00:00",""
"1546726","6.8521","0.0004","23.1503","0.0013","15.0422","0.0008","90","","99.365","0.001","90","","2354.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","HB4146","Ahn, Seunghyun; Lim, Yoongho; Sung, Jiha; Koh, Dongsoo","3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","IUCrData","2017","2","5","x170732","","10.1107/S2414314617007325","","","0.71073","MoKα","","0.0988","0.0479","","","0.117","0.1465","","","","","","0.959","","","","has coordinates,has Fobs","199322","2020-10-21","18:00:00",""
"1546727","11.5598","0.0003","13.3787","0.0004","17.3035","0.0005","111.756","0.001","96.694","0.002","98.293","0.001","2417.01","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Bis{<i>N</i>-[(4-dimethylamino)phenyl]-3,5-di-<i>tert</i>-butylsalicylaldiminato}cobalt(II)","Bis(2,4-di-<i>tert</i>-butyl-6-{<i>N</i>-[4-(dimethylamino)phenyl]\ carboximidoyl}phenolato)cobalt(II)","","- C46 H62 Co N4 O2 -","- C46 H62 Co N4 O2 -","- C92 H124 Co2 N8 O4 -","2","1","RZ4012","Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.","Bis{3,5-di-<i>tert</i>-butyl-<i>N</i>-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)","IUCrData","2017","2","4","x170525","","10.1107/S2414314617005259","","","0.71073","MoKα","","0.0878","0.0578","","","0.1634","0.175","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199323","2020-10-21","18:00:00",""
"1546728","14.152","0.002","9.8983","0.0016","15.9939","0.0019","90","","90","","90","","2240.4","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","MeN(CH~2~CMe~2~OH)~2~","1-[(2-Hydroxy-2-methylpropyl)methylamino]-2-methylpropan-2-ol","","- C9 H21 N O2 -","- C9 H21 N O2 -","- C72 H168 N8 O16 -","8","2","BT4050","Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus","The amino alcohol MeN(CH~2~CMe~2~OH)~2~","IUCrData","2017","2","6","x170799","","10.1107/S2414314617007994","","","0.71073","MoKα","","0.1212","0.0391","","","0.0413","0.045","","","","","","0.8","","","","has coordinates,has Fobs","199324","2020-10-21","18:00:00",""
"1546729","14.5077","0.001","7.9149","0.0004","14.8297","0.0008","90","","106.803","0.007","90","","1630.15","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","","- C17 H29 N O3 -","- C17 H29 N O3 -","- C68 H116 N4 O12 -","4","2","","Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide","IUCrData","2017","2","7","x170970","","10.1107/S2414314617009701","","","0.71073","MoKα","","0.0938","0.0552","","","0.1022","0.1145","","","","","","0.99","","","","has coordinates,has Fobs","199325","2020-10-21","18:00:00",""
"1546730","7.425","0.001","9.952","0.002","24.359","0.004","85.076","0.005","83.431","0.005","88.72","0.005","1781.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","","- C13 H9 F13 N2 S -","- C13 H9 F13 N2 S -","- C52 H36 F52 N8 S4 -","4","2","SJ4108","Partl, Gabriel; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione","IUCrData","2017","2","5","x170648","","10.1107/S2414314617006484","","","0.71073","MoKα","","0.0885","0.0665","","","0.1609","0.1759","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","199326","2020-10-21","18:00:00",""
"1546731","6.1921","0.0008","9.9443","0.0013","10.3761","0.0012","114.71","0.009","102.121","0.01","92.239","0.011","561.66","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","- C16 H32 Ag2 Cl2 S4 -","1","0.5","BT4051","Liebing, Phil","Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)]","IUCrData","2017","2","6","x170921","","10.1107/S241431461700921X","","","0.71073","MoKα","","0.0694","0.05","","","0.1208","0.1251","","","","","","0.875","","","","has coordinates,has Fobs","199327","2020-10-21","18:00:00",""
"1546732","12.2974","0.0004","13.7295","0.0004","14.8952","0.0005","90","","90","","90","","2514.86","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C88 H152 N24 S8 -","8","2","SJ4102","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","IUCrData","2017","2","4","x170513","","10.1107/S2414314617005132","","","1.54178","CuKα","","0.0286","0.0278","","","0.0696","0.0703","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","199328","2020-10-21","18:00:00",""
"1546733","2.97545","","2.97545","","26.88393","","90","","90","","120","","206.124","","","","","","","","","","","","","2","R -3 m","-R 3 2""","166","","Silver aluminum (0.5/0.5)","","- Ag Al -","- Ag0.5 Al0.5 -","- Ag6 Al6 -","12","","","Zhang, Zezhong; Bourgeois, Laure; Rosalie, Julian M.; Medhekar, Nikhil V.","The bi-layered precipitate phase ζ in the Al-Ag alloy system","Acta Materialia","2017","132","","525","","10.1016/j.actamat.2017.04.061","","","","","","","","","","","","","","","","","","","","","has coordinates","199331","2020-10-21","18:00:00",""
"1546734","10.1719","0.0008","17.7909","0.0014","11.0986","0.0009","90","","110.562","0.003","90","","1880.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F6 N2 O P -","- C18 H19 F6 N2 O P -","- C72 H76 F24 N8 O4 P4 -","4","1","","Zhu, Haoxuan; Janusson, Eric; Luo, Jingwei; Piers, James; Islam, Farhana; McGarvey, Bryce; Oliver, Allen Grayson; Granot, Ori; McIndoe, Jason Scott","Phenol-selective mass spectrometric analysis of jet fuel","The Analyst","2017","","","","","10.1039/C7AN00908A","","","0.71073","MoKα","","0.0882","0.0555","","","0.1341","0.1521","","","","","","1.038","","","","has coordinates","199348","2020-10-21","18:00:00",""
"1546735","8.3093","0.0006","10.675","0.0008","16.8309","0.0013","90","","90","","90","","1492.93","0.19","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br F6 N2 P -","- C12 H14 Br F6 N2 P -","- C48 H56 Br4 F24 N8 P4 -","4","1","","Zhu, Haoxuan; Janusson, Eric; Luo, Jingwei; Piers, James; Islam, Farhana; McGarvey, Bryce; Oliver, Allen Grayson; Granot, Ori; McIndoe, Jason Scott","Phenol-selective mass spectrometric analysis of jet fuel","The Analyst","2017","","","","","10.1039/C7AN00908A","","","0.71073","MoKα","","0.0255","0.0221","","","0.0505","0.0516","","","","","","1.036","","","","has coordinates","199348","2020-10-21","18:00:00",""
"1546736","6.9455","0.0013","8.1993","0.0014","13.825","0.002","97.886","0.007","97.939","0.008","109.479","0.008","720.8","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C13 H11 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C26 H22 Br2 N4 O6 S2 -","2","1","","Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc","Toward a reverse hierarchy of halogen bonding between bromine and iodine","Faraday Discuss.","2017","","","","","10.1039/C7FD00067G","","x-ray","0.71073","MoKα","","0.0328","0.0261","","","0.0661","0.0694","","","","","","1.062","","","","has coordinates","199364","2020-10-21","18:00:00",""
"1546737","7.2107","0.0003","8.5679","0.0004","12.2391","0.0005","86.641","0.002","79.084","0.002","87.121","0.002","740.59","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O3 S -","- C14 H14 Br N3 O3 S -","- C28 H28 Br2 N6 O6 S2 -","2","1","","Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc","Toward a reverse hierarchy of halogen bonding between bromine and iodine","Faraday Discuss.","2017","","","","","10.1039/C7FD00067G","","x-ray","0.71073","MoKα","","0.0388","0.0346","","","0.0939","0.0957","","","","","","1.078","","","","has coordinates","199364","2020-10-21","18:00:00",""
"1546738","14.1074","0.0002","5.8267","0.0001","17.4282","0.0002","90","","112.703","0.002","90","","1321.59","0.04","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0316","0.0312","","","0.0894","0.0899","","","","","","1.04","","","","has coordinates","200675","2020-10-21","18:00:00",""
"1546739","3.7592","0.0009","6.7317","0.0013","25.29","0.005","90","","93.106","0.014","90","","639","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methylpyrazine-2-carboxamide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","SU4158","Rillema, D. Paul; Senaratne, Nilmini K.; Moore, Curtis; KomReddy, Venugopal","5-Methylpyrazine-2-carboxamide","IUCrData","2017","2","7","x171090","","10.1107/S2414314617010902","","","0.71073","MoKα","","0.0713","0.0425","","","0.0922","0.1041","","","","","","1.032","","","","has coordinates,has Fobs","199410","2020-10-21","18:00:00",""
"1546740","6.9549","0.0005","11.6778","0.0009","12.2165","0.0009","90","","90","","90","","992.2","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","BH4025","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Lahmidi, Sanae; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2017","2","7","x171091","","10.1107/S2414314617010914","","","1.54178","CuKα","","0.0365","0.0344","","","0.0954","0.0984","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199411","2020-10-21","18:00:00",""
"1546741","9.2078","0.00013","10.49143","0.00018","16.4278","0.0003","90","","96.1345","0.0014","90","","1577.89","0.05","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H38 F6 N6 O4 P Ru -","- C28 H38 F6 N6 O4 P Ru -","- C56 H76 F12 N12 O8 P2 Ru2 -","2","0.5","","Li, Cai; Ip, Kwok-Wa; Man, Wai-Lun; Song, Dan; He, Ming-Liang; Yiu, Shek-Man; Lau, Tai-Chu; ZHU, Guangyu","Cytotoxic (Salen)ruthenium(III) Anticancer Complexes Exhibit Different Modes of Cell Death Directed by Axial Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02205K","","","1.54178","CuKα","","0.0381","0.0377","","","0.1008","0.1012","","","","","","1.042","","","","has coordinates,has disorder","199416","2020-10-21","18:00:00",""
"1546742","14.1727","0.0004","16.5751","0.0004","14.5768","0.0004","90","","110.762","0.003","90","","3201.92","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 F6 N8 O3 P Ru -","- C26 H40 F6 N8 O3 P Ru -","- C104 H160 F24 N32 O12 P4 Ru4 -","4","1","","Li, Cai; Ip, Kwok-Wa; Man, Wai-Lun; Song, Dan; He, Ming-Liang; Yiu, Shek-Man; Lau, Tai-Chu; ZHU, Guangyu","Cytotoxic (Salen)ruthenium(III) Anticancer Complexes Exhibit Different Modes of Cell Death Directed by Axial Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02205K","","","1.54178","CuKα","","0.0644","0.0531","","","0.147","0.1572","","","","","","0.997","","","","has coordinates,has disorder","199416","2020-10-21","18:00:00",""
"1546743","12.1887","0.0006","12.7433","0.0007","16.8304","0.001","83.56","0.005","75.676","0.005","74.313","0.005","2435.7","0.2","180","0.1","180","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","- C84 H136 Cl6 Li2 O10 Sc4 Si4 -","1","0.5","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.0888","0.0609","","","0.1443","0.1668","","","","","","1.035","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546744","7.6252","0.0003","17.9614","0.0005","12.5733","0.0004","90","","101.302","0.003","90","","1688.64","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cl2 N O2 S2 Sc -","- C11 H22 Cl2 N O2 S2 Sc -","- C44 H88 Cl8 N4 O8 S8 Sc4 -","4","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.0333","0.025","","","0.0597","0.0649","","","","","","1.031","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546745","12.597","0.0016","13.4393","0.0015","15.161","0.003","89.102","0.012","69.72","0.016","89.532","0.01","2407.3","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H60 Cl2 Li O4 Sc Si2 -","- C38 H60 Cl2 Li O4 Sc Si2 -","- C76 H120 Cl4 Li2 O8 Sc2 Si4 -","2","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","","0.71073","MoKα","","0.1991","0.0878","","","0.1534","0.1937","","","","","","0.852","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546746","7.0301","0.0003","10.1171","0.0005","9.2007","0.0004","90","","101.433","0.004","90","","641.41","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H18 Cl O2 Sc -","- C12 H18 Cl O2 Sc -","- C24 H36 Cl2 O4 Sc2 -","2","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","x-ray","0.71073","MoKα","","0.0407","0.04","","","0.1167","0.1173","","","","","","1.08","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546747","16.4374","0.0009","6.2657","0.0002","12.5689","0.0006","90","","120.523","0.007","90","","1115.11","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","","- C13 H9 B F3 N O -","- C13 H9 B F3 N O -","- C52 H36 B4 F12 N4 O4 -","4","1","BT4059","Dziuk, Błażej; Ośmiałowski, Borys; Zakrzewska, Anna; Ejsmont, Krzysztof; Zarychta, Bartosz","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","IUCrData","2017","2","8","x171109","","10.1107/S2414314617011099","","","0.71073","MoKα","","0.029","0.027","","","0.0673","0.0681","","","","","","1.014","","","","has coordinates,has Fobs","199461","2020-10-21","18:00:00",""
"1546748","15.8203","0.0017","6.8156","0.0007","8.7275","0.0008","90","","90","","90","","941.04","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","benzylammonium nitrate","4-Methoxybenzylammonium nitrate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","BH4027","Umarani, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methoxybenzylammonium nitrate","IUCrData","2017","2","8","x171114","","10.1107/S2414314617011142","","","0.71073","MoKα","","0.0737","0.0401","","","0.1065","0.131","","","","","","1.062","","","","has coordinates,has Fobs","199462","2020-10-21","18:00:00",""
"1546749","10.7598","0.0006","17.9842","0.0009","14.3349","0.0008","90","","99.782","0.004","90","","2733.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H59 B Fe N2 O P2 -","- C71 H59 B Fe N2 O P2 -","- C142 H118 B2 Fe2 N4 O2 P4 -","2","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.1438","0.0752","","","0.1616","0.1978","","","","","","1.081","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546750","11.301","0.002","14.448","0.003","19.278","0.004","110.941","0.005","97.709","0.006","101.33","0.005","2809.8","1","151","2","151","2","","","","","","","","8","P 1","P 1","1","","","","- C71 H60 B Br Fe N2 O P2 -","- C71 H60 B Br Fe N2 O P2 -","- C142 H120 B2 Br2 Fe2 N4 O2 P4 -","2","2","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","0.71073","MoKα","","0.134","0.0543","","","0.0715","0.0881","","","","","","0.939","","","","has coordinates","199476","2020-10-21","18:00:00",""
"1546751","10.9864","0.0004","12.9194","0.0004","40.2053","0.0014","90","","90","","90","","5706.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 B Br Fe N2 O2 P2 -","- C67 H70 B Br Fe N2 O2 P2 -","- C268 H280 B4 Br4 Fe4 N8 O8 P8 -","4","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.0534","0.0468","","","0.1173","0.1211","","","","","","1.065","","","","has coordinates,has disorder","199476","2020-10-21","18:00:00",""
"1546752","8.473","0.005","10.542","0.005","11.891","0.005","90","0.005","106.339","0.005","90","0.005","1019.2","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 Br O4 -","- C23 H21 Br O4 -","- C46 H42 Br2 O8 -","2","1","","Ray Choudhury, Abhijnan; Manna, Madhu Sudan; Mukherjee, Santanu","Nitro-enabled catalytic enantioselective formal umpolung alkenylation of β-ketoesters","Chem. Sci.","2017","","","","","10.1039/C7SC02232H","","","0.71073","MoKα","","0.0368","0.0323","","","0.0767","0.0785","","","","","","1.042","","","","has coordinates","199477","2020-10-21","18:00:00",""
"1546753","10.5628","0.0002","13.4613","0.0003","26.2818","0.0005","79.225","0.001","83.349","0.001","75.404","0.001","3543.33","0.13","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 F3 Mn N6 O9 S2 -","- C31 H30 F2.9999 Mn N6 O8.9999 S2 -","- C124 H120 F11.9996 Mn4 N24 O35.9996 S8 -","4","2","","Reddy G., Upendar; Liu, Jingjing; Hoffmann, Patrick; Steinmetzer, Johannes; Görls, Helmar; Kupfer, Stephan; Askes, Sven H. C.; Neugebauer, Ute; Gräfe, Stefanie; Schiller, Alexander","Light-responsive paper strips as CO-releasing material with a colourimetric response","Chem. Sci.","2017","","","","","10.1039/C7SC01692A","","","0.71073","MoKα","","0.104","0.0887","","","0.2279","0.2428","","","","","","1.018","","","","has coordinates,has disorder","199478","2020-10-21","18:00:00",""
"1546754","6.2718","0.0001","14.7186","0.0001","24.2813","0.0002","90","","90","","90","","2241.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C104 H128 N8 O12 -","4","1","","Flanigan, Darrin M.; Rovis, Tomislav","Enantioselective N-heterocyclic carbene-catalyzed nucleophilic dearomatization of alkyl pyridiniums","Chem. Sci.","2017","","","","","10.1039/C7SC02648J","","x-ray","1.54184","CuKα","","0.0296","0.0288","","","0.0737","0.0743","","","","","","1.045","","","","has coordinates","199504","2020-10-21","18:00:00",""
"1546755","15.599","0.0003","18.69","0.0005","19.2605","0.0005","70.341","0.002","87.9","0.002","67.582","0.002","4861.2","0.2","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C248 H200 Br8 F8 N8 O16 -","- C248 H200 Br8 F8 N8 O16 -","- C248 H200 Br8 F8 N8 O16 -","1","0.5","","Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N.","Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes.","Organic letters","2017","19","16","4283","4286","10.1021/acs.orglett.7b01924","","","0.71073","MoKα","","0.0527","0.0389","","","0.0883","0.0958","","","","","","1.027","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"1546756","9.4869","0.0007","16.4069","0.0012","12.2003","0.0008","90","","93.931","0.002","90","","1894.5","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B N -","- C20 H34 B N -","- C80 H136 B4 N4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0481","0.0411","","","0.1054","0.111","","","","","","1.027","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546757","15.483","0.0017","9.8194","0.001","16.6483","0.0019","90","","105.121","0.004","90","","2443.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 B N -","- C25 H44 B N -","- C100 H176 B4 N4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0762","0.0469","","","0.0969","0.11","","","","","","1.03","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546758","13.724","0.003","16.513","0.003","23.647","0.005","90","0.03","105.61","0.03","90","0.03","5161","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 B N -","- C29 H44 B N -","- C232 H352 B8 N8 -","8","2","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.1054","0.0663","","","0.1613","0.1884","","","","","","1.041","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546759","17.9286","0.0009","17.5371","0.0009","24.5618","0.0013","90","","90","","90","","7722.6","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 B Li N O3 -","- C40 H63 B Li N O3 -","- C320 H504 B8 Li8 N8 O24 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0818","0.0531","","","0.1133","0.1275","","","","","","1.017","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546760","9.633","0.002","31.696","0.007","10.432","0.002","90","","115.215","0.006","90","","2881.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 B Li N O -","- C29 H53 B Li N O -","- C116 H212 B4 Li4 N4 O4 -","4","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.072","0.0568","","","0.1363","0.1432","","","","","","1.121","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546761","15.5756","0.001","16.3913","0.001","18.0729","0.0011","90","","90","","90","","4614.1","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H39 B N2 -","- C25 H39 B N2 -","- C200 H312 B8 N16 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0887","0.0466","","","0.1073","0.1295","","","","","","1.02","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546762","9.411","0.003","14.986","0.004","19.855","0.006","90","","90","","90","","2800.2","1.4","100.2","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-2-Nitro-N-(1-oxidotetrahydro-2H-thiopyran-4-yl)benzenesulfonamide","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C88 H112 N16 O40 S16 -","8","1","","Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji","Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives","Organic Process Research & Development","2017","21","7","1034","","10.1021/acs.oprd.7b00147","","","1.5419","CuKα","","0.0439","0.0328","","","0.0834","0.1009","","","","","","0.177","","","","has coordinates","199561","2020-10-21","18:00:00",""
"1546763","8.9382","0.0008","12.8773","0.0012","14.7873","0.0014","90.81","0.004","94.233","0.003","99.34","0.003","1674.3","0.3","123","","123","","","","","","","","P. Ravat","4","P -1","-P 1","2","","","","- C22 H10 Br2 F2 -","- C22 H10 Br2 F2 -","- C88 H40 Br8 F8 -","4","2","","Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juríček, Michal","Configurational Stability of [5]Helicenes.","Organic letters","2017","19","14","3707","3710","10.1021/acs.orglett.7b01461","","","1.54178","CuKα","","0.0617","0.0614","","0.1696","0.1695","0.1696","","","","","","1.0183","","","","has coordinates","199564","2020-10-21","18:00:00",""
"1546764","5.9869","0.0002","10.9322","0.0004","19.3709","0.0007","90","","90","","90","","1267.83","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 Se -","- C15 H14 O2 Se -","- C60 H56 O8 Se4 -","4","1","","Topinka, Michael; Zawatzky, Kerstin; Barnes, Charles L.; Welch, Christopher J.; Harmata, Michael","An Asymmetric, Catalytic (4 + 3) Cycloaddition Reaction of Cyclopentenyl Oxyallylic Cations.","Organic letters","2017","19","15","4106","4109","10.1021/acs.orglett.7b01868","","","0.71073","MoKα","","0.0421","0.0316","","","0.0526","0.0551","","","","","","1.116","","","","has coordinates","199565","2020-10-21","18:00:00",""
"1546765","5.5338","0.0006","16.6117","0.0017","26.533","0.003","90","","90","","90","","2439.1","0.5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N4 O7 -","- C27 H28 N4 O7 -","- C108 H112 N16 O28 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","1.54178","CuKα","","0.052","0.0471","","","0.1278","0.1352","","","","","","1.088","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546766","5.8597","0.0006","8.435","0.0008","35.607","0.004","90","","90","","90","","1759.9","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","0.71073","MoKα","","0.0555","0.0467","","","0.0946","0.0978","","","","","","1.089","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546767","10.1542","0.001","26.46","0.003","26.744","0.003","90","","90","","90","","7185.6","1.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H52.5 Cl1.5 Co N2 O2 -","- C36.5 H52.5 Cl1.5 Co N2 O2 -","- C292 H420 Cl12 Co8 N16 O16 -","8","2","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.0808","0.0684","","","0.1367","0.1473","","","","","","1.079","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546768","10.733","0.002","12.501","0.003","17.319","0.004","92.4","0.03","104.5","0.03","106.39","0.03","2142.4","1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Co N3 O4 -","- C42 H56 Co N3 O4 -","- C84 H112 Co2 N6 O8 -","2","1","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.092","0.0844","","","0.1978","0.2026","","","","","","1.144","","","","has coordinates,has disorder","199634","2020-10-21","18:00:00",""
"1546769","10.784","0.003","12.609","0.004","14.442","0.002","98.614","0.005","96.546","0.003","105.985","0.005","1841.5","0.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 Co N3 O3 -","- C40 H56 Co N3 O3 -","- C80 H112 Co2 N6 O6 -","2","1","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.078","0.0763","","","0.1735","0.1744","","","","","","1.22","","","","has coordinates,has disorder","199634","2020-10-21","18:00:00",""
"1546770","16.383","0.003","10.7067","0.0018","23.844","0.004","90","","90.313","0.003","90","","4182.4","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Co N3 O3 -","- C45 H68 Co N3 O3 -","- C180 H272 Co4 N12 O12 -","4","1","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.129","0.1231","","","0.2472","0.25","","","","","","1.253","","","","has coordinates,has disorder","199634","2020-10-21","18:00:00",""
"1546771","6.195","0.0019","9.868","0.003","13.376","0.004","77.035","0.017","85.51","0.03","89.77","0.03","794.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 O2 S -","- C17 H13 F3 O2 S -","- C34 H26 F6 O4 S2 -","2","1","","Sonehara, Taro; Murakami, Shogo; Yamazaki, Sae; Kawatsura, Motoi","Iron-Catalyzed Intermolecular Hydrothiolation of Internal Alkynes with Thiosalicylic Acids, and Sequential Intramolecular Cyclization Reaction.","Organic letters","2017","19","16","4299","4302","10.1021/acs.orglett.7b01953","","","0.71075","MoKα","","","0.0484","","","","0.1478","","","","","","1.107","","","","has coordinates","200732","2020-10-21","18:00:00",""
"1546772","9.9684","0.0007","7.8695","0.0006","16.6927","0.001","90","","106.097","0.007","90","","1258.14","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","","- C12 H13 O6 P -","- C12 H13 O6 P -","- C48 H52 O24 P4 -","4","1","HB4160","Li, Yunfei; Xiao, Yongmei; Zhang, Xinchi; Yang, Liangru; Yuan, Jinwei; Mao, Pu","Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate","IUCrData","2017","2","8","x171119","","10.1107/S2414314617011191","","","0.71073","MoKα","","0.1238","0.0578","","","0.1372","0.1725","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","199673","2020-10-21","18:00:00",""
"1546773","13.7056","0.0003","10.6494","0.0002","14.9163","0.0003","90","","91.744","0.002","90","","2176.12","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","","- C22 H23 F3 N O3 P -","- C22 H23 F3 N O3 P -","- C88 H92 F12 N4 O12 P4 -","4","1","HB4162","Jezuita, Anna; Cal, Dariusz; Zagórski, Piotr; Ejsmont, Krzysztof; Zarychta, Bartosz","Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate","IUCrData","2017","2","8","x171122","","10.1107/S2414314617011221","","","0.71073","MoKα","","0.0436","0.0309","","","0.0763","0.0786","","","","","","0.979","","","","has coordinates,has Fobs","199674","2020-10-21","18:00:00",""
"1546774","9.6529","0.0004","17.7072","0.0005","10.4833","0.0004","90","","114.106","0.004","90","","1635.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","","","- C19 H17 B F2 N2 O -","- C19 H17 B F2 N2 O -","- C76 H68 B4 F8 N8 O4 -","4","1","BX4006","Dziuk, Błażej; Ośmiałowski, Borys; Skotnicka, Agnieszka; Ejsmont, Krzysztof; Zarychta, Bartosz","2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide","IUCrData","2017","2","8","x171141","","10.1107/S2414314617011415","","","0.71073","MoKα","","0.043","0.0308","","","0.0778","0.0803","","","","","","0.98","","","","has coordinates,has Fobs","199675","2020-10-21","18:00:00",""
"1546775","6.8576","0.0003","8.1526","0.0003","7.7457","0.0002","90","","90","","90","","433.04","0.03","293","2","293","2","22600000","","22600000","","","","","4","P n a m","-P 2c 2n","62","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.0293","0.0262","","","0.0698","0.0723","","","","","","1.19","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546776","6.3537","0.0005","7.9518","0.0003","8.0112","0.0003","90","","90","","90","","404.75","0.04","293","2","293","2","25400000","","25400000","","","","","4","P n a m","-P 2c 2n","62","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29056","synchrotron","","0.0596","0.0423","","","0.1256","0.1783","","","","","","1.321","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546777","5.479","0.005","5.532","0.002","6.681","0.006","91.74","0.05","104.57","0.08","95.59","0.05","194.7","0.3","296","2","296","2","25400000","","25400000","","","","","4","P -1","-P 1","2","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B4 Ca2 O16 Si4 -","2","1","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.1154","0.0887","","","0.2368","0.2714","","","","","","1.12","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546778","7.9989","0.0017","7.8697","0.0014","6.249","0.003","90","","89.75","0.03","90","","393.4","0.2","293","2","293","2","32300000","","32300000","","","","","4","P 1 21/c 1","-P 2ybc","14","danburite","danburite","","- B4 Ca2 O16 Si4 -","- B4 Ca2 O16 Si4 -","- B8 Ca4 O32 Si8 -","2","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.1252","0.0979","","","0.2941","0.3095","","","","","","1.175","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546779","6.6282","0.00013","12.7871","0.0002","29.3443","0.0005","81.5019","0.0014","84.6748","0.0015","75.0869","0.0016","2373.02","0.07","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C100 H148 F4 O20 -","4","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0396","0.0375","","","0.1066","0.1087","","","","","","1.031","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546780","12.91998","0.00013","18.73733","0.00015","7.59349","0.00007","90","","90","","90","","1838.28","0.03","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H29 F O2 -","- C21 H29 F O2 -","- C84 H116 F4 O8 -","4","1","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0493","0.0485","","","0.1309","0.1318","","","","","","1.027","","","","has coordinates,has disorder","199723","2020-10-21","18:00:00",""
"1546781","14.1167","0.0002","11.44999","0.00015","29.4125","0.0004","90","","103.821","0.0015","90","","4616.48","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 F O5 -","- C25 H37 F O5 -","- C200 H296 F8 O40 -","8","4","","Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas","Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination","Chem. Sci.","2017","","","","","10.1039/C7SC02703F","","","1.54178","CuKα","","0.0425","0.0408","","","0.1066","0.1089","","","","","","1.013","","","","has coordinates","199723","2020-10-21","18:00:00",""
"1546782","9.3432","0.0006","10.4314","0.0008","18.0901","0.0014","90","","90","","90","","1763.1","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","SJ4129","Karai, Oumaima; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","IUCrData","2017","2","8","x171155","","10.1107/S2414314617011555","","","0.71073","MoKα","","0.0298","0.0268","","","0.0621","0.0645","","","","","","1.037","","","","has coordinates,has Fobs","199734","2020-10-21","18:00:00",""
"1546783","11.18234","0.00017","5.96601","0.0001","23.6894","0.0004","90","","94.8227","0.0014","90","","1574.82","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O0 S -","- C20 H17 N S -","- C80 H68 N4 S4 -","4","1","","Jiang, Huanfeng; Huang, Yubing; Li, Xianwei; Wang, Xu; Yu, Yue; Zheng, Jia; Wu, Wanqing","Copper-Catalyzed Cyanothiolation to Incorporate Sulfur-Substituted Quaternary Carbon Center","Chem. Sci.","2017","","","","","10.1039/C7SC02867A","","x-ray","1.54184","CuKα","","0.0389","0.0369","","","0.0976","0.0999","","","","","","1.073","","","","has coordinates","199787","2020-10-21","18:00:00",""
"1546784","11.1344","0.0006","12.0889","0.0005","12.4679","0.0006","89.171","0.003","79.125","0.003","84.202","0.003","1639.62","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","2","","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunnalakshmi, Madurai; Lakshmi, Srinivasakannan","(<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one","IUCrData","2017","2","8","x171164","","10.1107/S2414314617011646","","","0.71073","MoKα","","0.0969","0.0528","","","0.1495","0.1965","","","","","","1.02","","","","has coordinates,has Fobs","199796","2020-10-21","18:00:00",""
"1546785","12.8533","0.0003","14.3215","0.0004","20.7096","0.0008","86.942","0.003","76.463","0.003","83.026","0.002","3677.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32.3 H45.6 I2 N4 O2.5 S2.2 -","- C32.3 H33 I2 N4 O2.5 S2.2 -","- C129.2 H132 I8 N16 O10 S8.8 -","4","2","","Shi, Xiujuan; Yu, Chris Y. Y.; Su, Huifang; Kwok, Ryan T. K.; Jiang, Meijuan; He, Zikai; Lam, Jacky Wing Yip; Tang, Ben Zhong","Red-emissive antibody-AIEgen conjugate for turn-on and wash-free imaging of specific cancer cell","Chem. Sci.","2017","","","","","10.1039/C7SC01054K","","x-ray","1.54184","CuKα","","0.0312","0.0305","","","0.0823","0.083","","","","","","1.005","","","","has coordinates,has disorder","199830","2020-10-21","18:00:00",""
"1546789","11.8877","0.0002","24.3685","0.0004","11.9282","0.0002","90","","115.568","0.001","90","","3117.05","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H41 B2 N -","- C40 H41 B2 N -","- C160 H164 B8 N4 -","4","2","","Fingerle, Michael; Maichle-Mössmer, Cäcilia; Schundelmeier, Simon; Speiser, Bernd; Bettinger, Holger F.","Synthesis and Characterization of a Boron-Nitrogen-Boron Zigzag-Edged Benzo[fg]tetracene Motif.","Organic letters","2017","19","17","4428","4431","10.1021/acs.orglett.7b01873","","","0.71073","MoKα","","0.0521","0.0428","","","0.0995","0.1046","","","","","","1.02","","","","has coordinates","200723","2020-10-21","18:00:00",""
"1546790","9.98","0.0003","10.4842","0.0003","19.301","0.0006","90","","103.22","0.003","90","","1965.99","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0451","0.0413","","","0.102","0.1056","","","","","","1.063","","","","has coordinates","200726","2020-10-21","18:00:00",""
"1546791","18.1884","0.001","13.5886","0.0007","18.3224","0.001","90","","94.711","0.002","90","","4513.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","","- C55 H45 Ag N P3 S -","- C55 H45 Ag N P3 S -","- C220 H180 Ag4 N4 P12 S4 -","4","1","TK4035","Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Romyen, Monpariya; Wattanakanjana, Yupa","(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)","IUCrData","2017","2","8","x171185","","10.1107/S2414314617011853","","","0.71073","MoKα","","0.0321","0.0274","","","0.0646","0.068","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","199879","2020-10-21","18:00:00",""
"1546792","6.0966","0.0016","8.7275","0.0019","11.867","0.004","98.93","0.02","102.72","0.03","107.148","0.017","571.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C26 H26 N6 O2 -","2","1","","Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal","N-Methylamino Pyrimidyl Amides (MAPA): Highly Reactive, Electronically-Activated Amides in Catalytic N-C(O) Cleavage.","Organic letters","2017","19","17","4656","4659","10.1021/acs.orglett.7b02288","","","1.54178","CuKα","","0.0332","0.0322","","","0.0835","0.0843","","","","","","1.018","","","","has coordinates","200727","2020-10-21","18:00:00",""
"1546793","6.1168","0.0003","12.5792","0.001","13.3742","0.001","113.132","0.007","92.441","0.005","103.376","0.005","910.36","0.12","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","","Rivilla de la Cruz, Iván; de Cózar, Abel; Schäfer, Thomas; Hernandez, Frank J.; Bittner, Alexander M.; Eleta, Aitziber; Aboudzadeh, Ali; SANTOS, JOSE IGNACIO; Miranda, José Ignacio; Cossio, Fernando","Catalysis of a 1,3-dipolar reaction by distorted DNA incorporating a heterobimetallic platinum (II) and copper (II) complex","Chem. Sci.","2017","","","","","10.1039/C7SC02311A","","x-ray","1.54184","CuKα","","0.0837","0.0806","","","0.2286","0.2314","","","","","","1.112","","","","has coordinates","199882","2020-10-21","18:00:00",""
"1546794","6.5875","0.0001","25.7074","0.0003","10.0552","0.0001","90","","101.245","0.001","90","","1670.13","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C72 H64 N8 O16 S4 -","4","1","","Rivilla de la Cruz, Iván; de Cózar, Abel; Schäfer, Thomas; Hernandez, Frank J.; Bittner, Alexander M.; Eleta, Aitziber; Aboudzadeh, Ali; SANTOS, JOSE IGNACIO; Miranda, José Ignacio; Cossio, Fernando","Catalysis of a 1,3-dipolar reaction by distorted DNA incorporating a heterobimetallic platinum (II) and copper (II) complex","Chem. Sci.","2017","","","","","10.1039/C7SC02311A","","x-ray","1.54184","CuKα","","0.0375","0.0358","","","0.0902","0.0918","","","","","","1.062","","","","has coordinates,has disorder","199882","2020-10-21","18:00:00",""
"1546795","17.1886","0.001","7.6152","0.0004","20.9922","0.0011","90","","100.509","0.004","90","","2701.7","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1',1'',1'''-((porphyrin-5,10,15,20-tetrayltetrakis(benzene-4,1-diyl))tetrakis(methylene))tetrakis(pyridin-2(1H)-one)","","- C68 H58 N8 O8 -","- C68 H58 N8 O8 -","- C136 H116 N16 O16 -","2","0.5","","Callaghan, Susan; Filatov, Mikhail A.; Sitte, Elisabeth; Savoie, Huguette; Boyle, Ross W.; Flanagan, Keith; Senge, Mathias O.","Delayed release singlet oxygen sensitizers based on pyridone-appended porphyrins","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00244K","","x-ray","1.54178","CuKα","","0.1181","0.0767","","","0.1949","0.2307","","","","","","1.039","","","","has coordinates","199895","2020-10-21","18:00:00",""
"1546796","15.8019","0.0013","8.9658","0.0007","14.5051","0.0012","90","","107.3","0.001","90","","1962.1","0.3","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-tetrakis(4-(bromomethyl)phenyl)porphyrin","","- C48 H34 Br4 N4 -","- C48 H34 Br4 N4 -","- C96 H68 Br8 N8 -","2","0.5","","Callaghan, Susan; Filatov, Mikhail A.; Sitte, Elisabeth; Savoie, Huguette; Boyle, Ross W.; Flanagan, Keith; Senge, Mathias O.","Delayed release singlet oxygen sensitizers based on pyridone-appended porphyrins","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00244K","","x-ray","0.71073","MoKα","","0.057","0.037","","","0.0885","0.0964","","","","","","1.019","","","","has coordinates","199895","2020-10-21","18:00:00",""
"1546797","6.768729","0.000013","8.96849","0.000011","23.39031","0.00005","90","","90","","90","","1419.92","0.004","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 O -","- C9 H11 O -","- C72 H88 O8 -","8","2","","James A. Kaduk; Amy M. Gindhart; Thomas N. Blanton","Crystal Structure of 17alpha-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory","Crystals","2017","7","","218","","10.3390/cryst7070218","powder diffraction","x-ray","0.413342","","","","","","","","","0.13604","","1.49","","","","","","","has coordinates","199902","2020-10-21","18:00:00",""
"1546798","12.4154","0.0013","10.9297","0.0011","19.168","0.002","90","","100.793","0.002","90","","2555","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O6 S -","- C29 H28 N2 O6 S -","- C116 H112 N8 O24 S4 -","4","1","","Jia, Penghao; Zhang, Qinglong; Ou, Qima; Huang, You","Sequential [1 + 4]- and [2 + 3]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hexahydropyrrolo[3,2-b]indoles.","Organic letters","2017","19","17","4664","4667","10.1021/acs.orglett.7b02298","","","0.71073","MoKα","","0.0396","0.0338","","","0.0894","0.0926","","","","","","1.029","","","","has coordinates","200722","2020-10-21","18:00:00",""
"1546799","12.9639","0.0005","12.9639","0.0005","14.8451","0.0006","90","","90","","120","","2160.65","0.15","150","2","150","2","","","","","","","","4","P 65","P 65","170","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C96 H126 N6 O18 -","6","1","","Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi","Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.","Organic letters","2017","19","17","4668","4671","10.1021/acs.orglett.7b02293","","","1.54178","CuKα","","0.0343","0.034","","","0.0864","0.0867","","","","","","1.061","","","","has coordinates","200725","2020-10-21","18:00:00",""
"1546800","7.2478","0.0004","8.2707","0.0004","18.9058","0.001","90","","90","","90","","1133.3","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCGC00481329a","ncats02","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","","1.54178","CuKα","","0.0229","0.0229","","","0.0597","0.0598","","","","","","1.099","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1546801","7.4051","0.0006","8.6895","0.0008","11.7644","0.0011","90","","107.588","0.002","90","","721.61","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.027","0.0252","","","0.0587","0.0599","","","","","","1.049","","","","has coordinates","200728","2020-10-21","18:00:00",""
"1546802","13.6026","0.0012","8.524","0.0008","14.8834","0.0014","90","","113.044","0.001","90","","1588","0.3","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N2 O4 -","- C16 H15 Br N2 O4 -","- C64 H60 Br4 N8 O16 -","4","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0437","0.034","","","0.0857","0.0909","","","","","","1.028","","","","has coordinates,has disorder","200730","2020-10-21","18:00:00",""
"1546803","10.6675","0.0004","10.7859","0.0004","29.4456","0.0013","87.957","0.001","86.644","0.001","64.109","0.001","3042.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Au F3 N2 -","- C40 H26 Au F3 N2 -","- C160 H104 Au4 F12 N8 -","4","2","","Wong, Ben Yiu-Wing; Wong, Hok-Lai; Wong, Yi-Chun; Au, Vonika Ka-Man; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Multi-functional bis(alkynyl)gold(iii) N⁁C complexes with distinct mechanochromic luminescence and electroluminescence properties","Chem. Sci.","2017","","","","","10.1039/C7SC02410J","","","0.71073","MoKα","","0.0757","0.041","","","0.0507","0.0565","","","","","","1.039","","","","has coordinates","199913","2020-10-21","18:00:00",""
"1546804","14.3371","0.0006","14.4204","0.0005","22.4241","0.0009","84.045","0.001","87.761","0.001","69.157","0.001","4309.3","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Complex of silver(I) tetrafluoroborate and hexafluorophosphate witn tris(2-pyridyl)phosphine","","- C72 H66 Ag5 B4 F22 N18 P5 -","- C72 H66 Ag5 B4 F22 N18 P5 -","- C144 H132 Ag10 B8 F44 N36 P10 -","2","1","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.0593","0.0394","","","0.0984","0.1135","","","","","","1.066","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546805","18.482","0.002","22.8","0.003","24.67","0.004","90","","96.39","0.006","90","","10331","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of AgPF6 with tris(2-pyridyl)phosphine","","- C62 H51 Ag5 F30 N13 P9 -","- C62 H51 Ag5 F30 N13 P9 -","- C248 H204 Ag20 F120 N52 P36 -","4","1","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.177","0.0804","","","0.1962","0.2689","","","","","","1.091","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546806","23.685","0.003","22.865","0.002","30.599","0.003","90","","90.97","0.004","90","","16569","3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Complex of AgBF4 with tris(2-pyridyl)phosphine","","- C72 H69 Ag5 B5 F20 N15 O2 P4 -","- C70.5 H64.5 Ag5 B5 F20 N15 O1.5 P4 -","- C564 H516 Ag40 B40 F160 N120 O12 P32 -","8","2","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.0574","0.0364","","","0.0863","0.1001","","","","","","1.096","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546807","16.4246","0.0007","22.9762","0.0011","28.4848","0.0011","90","","105.155","0.002","90","","10375.6","0.8","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Complex of AgOTf with tris(2-pyridyl)phosphine","","- C83 H83 Ag5 F15 N12 O21 P4 S5 -","- C83 H83 Ag5 F15 N12 O21 P4 S5 -","- C332 H332 Ag20 F60 N48 O84 P16 S20 -","4","1","","Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.","A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron","Dalton Transactions","2017","46","37","12425","12429","10.1039/C7DT02597A","","","0.71073","MoKα","","0.0954","0.0641","","","0.1222","0.1457","","","","","","1.082","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546808","16.7707","0.0016","28.016","0.003","29.924","0.003","90","","90","","90","","14060","2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H58 B2 F8 Fe4 N14 O16 -","- C68 H58 B2 F8 Fe4 N14 O16 -","- C544 H464 B16 F64 Fe32 N112 O128 -","8","1","","Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar","Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand","Dalton Transactions","2017","46","37","12612","12618","10.1039/C7DT02433A","","","0.71073","MoKα","","0.1541","0.0733","","","0.1483","0.1767","","","","","","1.042","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546809","15.0581","0.0011","15.0581","0.0011","12.1751","0.0009","90","","90","","90","","2760.7","0.4","110","2","110","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H40 Fe4 N12 O16 -","- C60 H40 Fe4 N12 O16 -","- C120 H80 Fe8 N24 O32 -","2","0.25","","Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar","Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand","Dalton Transactions","2017","46","37","12612","12618","10.1039/C7DT02433A","","","0.71073","MoKα","","0.1641","0.0642","","","0.1252","0.1469","","","","","","1.13","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546810","14.084","0.006","14.084","0.006","39.7","0.03","90","","90","","90","","7875","8","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H17 Cl O1.5 P -","- C26 H17 Cl O1.5 P -","- C416 H272 Cl16 O24 P16 -","16","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Tribenzo[b,e,g]phosphindole Oxides via Radical Bicyclization Cascades of o-Arylalkynylanilines.","Organic letters","2017","19","17","4512","4515","10.1021/acs.orglett.7b02071","","","0.71073","MoKα","","0.1048","0.0552","","","0.1326","0.149","","","","","","1.066","","","","has coordinates","200724","2020-10-21","18:00:00",""
"1546811","10.0781","0.0004","12.2736","0.0005","18.584","0.0008","74.2212","0.0019","75.854","0.002","70.4236","0.0019","2054.25","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Fe2 N2 O8 -","- C48 H44 Fe2 N2 O8 -","- C96 H88 Fe4 N4 O16 -","2","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0814","0.0479","","","0.1149","0.1295","","","","","","1.074","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546812","15.0129","0.0009","6.7964","0.0004","16.6082","0.001","90","","107.336","0.0019","90","","1617.62","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0625","0.0454","","","0.1234","0.1309","","","","","","1.38","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546813","17.9282","0.0006","11.5903","0.0004","21.7086","0.0007","90","","94.633","0.0019","90","","4496.2","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0858","0.0514","","","0.1351","0.156","","","","","","1.053","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546814","8.639","0.0003","28.5416","0.001","10.0003","0.0004","90","","98.528","0.002","90","","2438.52","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 Fe2 N4 O10 -","- C58 H44 Fe2 N4 O10 -","- C116 H88 Fe4 N8 O20 -","2","0.5","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0867","0.0494","","","0.106","0.1225","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546815","11.5766","0.0003","17.2082","0.0003","17.1087","0.0005","90","","107.784","0.003","90","","3245.4","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl Ir N2 Si -","- C34 H48 Cl Ir N2 Si -","- C136 H192 Cl4 Ir4 N8 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0503","0.0441","","","0.1214","0.1283","","","","","","1.07","","","","has coordinates","259813","2020-12-11","13:54:15",""
"1546816","10.0773","0.0004","13.0942","0.0004","22.7288","0.0008","83.648","0.003","87.998","0.003","76.732","0.003","2901.04","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H74 Cl7 Ir N4 Si2 -","- C51 H74 Cl7 Ir N4 Si2 -","- C102 H148 Cl14 Ir2 N8 Si4 -","2","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0488","0.0425","","","0.1089","0.1142","","","","","","1.033","","","","has coordinates,has disorder","259813","2020-12-11","13:54:17",""
"1546817","20.2028","0.0013","9.0196","0.0003","20.2302","0.0012","90","","114.903","0.007","90","","3343.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H50 Cl Ir N2 Si -","- C35.5 H50 Cl Ir N2 Si -","- C142 H200 Cl4 Ir4 N8 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura","Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes","Chemical Communications","2017","53","74","10275","10278","10.1039/C7CC04832G","","","1.5418","CuKα","","0.0547","0.0426","","","0.1087","0.1185","","","","","","1.04","","","","has coordinates,has disorder","259813","2020-12-11","13:54:17",""
"1546818","8.447","0.003","11.738","0.005","19.66","0.006","90","","107.207","0.012","90","","1862.1","1.2","298","2","298","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H22 F3 Fe I4 N5 O2 -","- C37 H22 F3 Fe I4 N5 O2 -","- C74 H44 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","","0.71073","MoKα","","0.1241","0.0471","","","0.0602","0.0735","","","","","","0.972","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546819","8.3692","0.0002","11.5822","0.0002","19.5061","0.0005","90","","106.785","0.002","90","","1810.24","0.07","250","","250","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C76 H44 F6 Fe2 I8 N8 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.04","0.0287","","","0.0411","0.0438","","","","","","0.977","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546820","16.7237","0.0002","22.9833","0.0002","19.4485","0.0002","90","","107.484","0.001","90","","7129.98","0.13","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C304 H176 F24 Fe8 I32 N32 O16 -","8","2","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.0502","0.033","","","0.0407","0.0452","","","","","","0.946","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546821","9.4175","0.0005","17.1528","0.0009","28.9801","0.0016","79.223","0.003","89.723","0.004","82.329","0.003","4556.6","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H154 Br6 Cu N8 O5 -","- C80 H154 Br6 Cu N8 O5 -","- C160 H308 Br12 Cu2 N16 O10 -","2","1","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.1011","0.0919","","","0.2301","0.2348","","","","","","1.113","","","","has coordinates","210954","2020-10-21","18:00:00",""
"1546822","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","210324","2020-10-21","18:00:00",""
"1546823","11.7603","0.0011","12.1239","0.0012","15.2286","0.0015","90","","91.3973","0.0015","90","","2170.7","0.4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 Cl2 Ir N2 O2 -","- C19 H29 Cl2 Ir N2 O2 -","- C76 H116 Cl8 Ir4 N8 O8 -","4","1","","Takahashi, Hiroyuki; Kodama, Shintaro; Ishii, Youichi","Direct transformation of 2-acetylpyridine oxime esters into α-oxygenated imines in an Ir( <scp>iii</scp> ) complex","Dalton Transactions","2017","46","36","12032","12035","10.1039/C7DT02528A","","","0.71075","MoKα","","0.0296","0.0253","","","0.0611","0.0622","","","","","","1.098","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546824","7.543","0.001","12.7445","0.0017","22.732","0.003","90","","90","","90","","2185.3","0.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B Cl F4 Ir N2 O2 -","- C19 H25 B Cl F4 Ir N2 O2 -","- C76 H100 B4 Cl4 F16 Ir4 N8 O8 -","4","1","","Takahashi, Hiroyuki; Kodama, Shintaro; Ishii, Youichi","Direct transformation of 2-acetylpyridine oxime esters into α-oxygenated imines in an Ir( <scp>iii</scp> ) complex","Dalton Transactions","2017","46","36","12032","12035","10.1039/C7DT02528A","","","0.71075","MoKα","","0.0315","0.0269","","","0.0528","0.0545","","","","","","0.994","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546825","17.7616","0.0004","18.096","0.0004","25.5666","0.0006","90","","109.065","0.003","90","","7766.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H52 B F24 Ir N2 P2 -","- C78 H52 B F24 Ir N2 P2 -","- C312 H208 B4 F96 Ir4 N8 P8 -","4","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0502","0.0331","","","0.0707","0.0783","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546826","17.3484","0.0002","17.38548","0.00019","29.3494","0.0003","81.8139","0.0009","77.513","0.001","62.9306","0.0012","7686.07","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H59 B F24 Ir N2 P2 -","- C81 H59 B F24 Ir N2 P2 -","- C324 H236 B4 F96 Ir4 N8 P8 -","4","2","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0411","0.0318","","","0.0727","0.0783","","","","","","1.078","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546827","25.683","0.0008","8.80488","0.0001","22.6553","0.0007","90","","135.53","0.006","90","","3589","0.4","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C78 H52 B F24 N2 P2 Rh -","- C78 H52 B F24 N2 P2 Rh -","- C156 H104 B2 F48 N4 P4 Rh2 -","2","0.5","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0261","0.0255","","","0.067","0.0675","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546828","12.8095","0.0002","24.9098","0.0004","19.7755","0.0003","90","","100.243","0.0016","90","","6209.45","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 B F24 Ir N2 P -","- C68 H47 B F24 Ir N2 P -","- C272 H188 B4 F96 Ir4 N8 P4 -","4","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0278","0.0233","","","0.0533","0.0555","","","","","","1.034","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546829","13.2601","0.0003","14.7604","0.0003","18.6577","0.0003","105.777","0.0016","101.193","0.0015","103.196","0.0017","3291.04","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H98 B2 F48 P4 Rh2 -","- C142 H98 B2 F48 P4 Rh2 -","- C142 H98 B2 F48 P4 Rh2 -","1","0.5","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0444","0.0383","","","0.096","0.1004","","","","","","1.029","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546830","16.6021","0.0004","18.6428","0.0004","28.5944","0.0004","75.55","0.0015","84.8989","0.0015","65.815","0.002","7817.1","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H122 B2 F48 Ir N3 O8 P2 -","- C150 H122 B2 F48 Ir N3 O8 P2 -","- C300 H244 B4 F96 Ir2 N6 O16 P4 -","2","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0386","0.0312","","","0.0778","0.0824","","","","","","1.058","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546831","12.7985","0.0005","24.8791","0.0009","19.8716","0.0005","90","","99.467","0.003","90","","6241.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 B F24 N2 P Rh -","- C68 H47 B F24 N2 P Rh -","- C272 H188 B4 F96 N8 P4 Rh4 -","4","1","","Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.","Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple","Dalton Transactions","2017","46","35","11645","11655","10.1039/C7DT02648J","","x-ray","0.71073","MoKα","","0.0612","0.0456","","","0.1084","0.1164","","","","","","1.024","","","","has coordinates,has disorder","282777","2023-04-20","11:56:48",""
"1546832","8.6241","0.0004","12.8186","0.0006","18.8093","0.0011","90","","94.972","0.005","90","","2071.52","0.18","297.4","","297.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Luo, Wenjun; Hu, Haiwen; Nian, Sanfei; Qi, Liang; Ling, Fei; Zhong, Weihui","Phosphine-catalyzed [3 + 2] annulation reaction: highly regio- and diastereoselective synthesis of 2-azaspiro[4.4]nonene-1,3-diones","Organic & Biomolecular Chemistry","2017","15","36","7523","7526","10.1039/C7OB01957B","","","0.71073","MoKα","","0.0902","0.0527","","","0.1261","0.1497","","","","","","1.022","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546833","11.8841","0.0012","15.7939","0.0017","24.186","0.003","90","","92.407","0.003","90","","4535.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C200 H192 N16 O24 S8 -","8","2","","Meng, Jiang; Jia, Renmeng; Leng, Jiaying; Wen, Min; Yu, Xingxin; Deng, Wei-Ping","Carbon-Carbon Bond Formation by Reaction of Rhodium Azavinylcarbenes with Secondary Amides: Access to Indigo Analogues from Isatins.","Organic letters","2017","19","17","4520","4523","10.1021/acs.orglett.7b02096","","","0.71073","MoKα","","0.1231","0.0606","","","0.1263","0.1507","","","","","","0.982","","","","has coordinates","200729","2020-10-21","18:00:00",""
"1546834","34.9801","0.0012","34.9801","0.0012","34.9801","0.0012","90","","90","","90","","42802","3","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C12 H6 Hf3 O16 -","- C12 H6 Hf3 O16 -","- C384 H192 Hf96 O512 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0467","0.0384","","","0.118","0.123","","","","","","1.119","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546835","34.901","0.003","34.901","0.003","34.901","0.003","90","","90","","90","","42512","6","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C9 H3 Hf3 O13 S6 -","- C9 H3 Hf3 O13 S6 -","- C288 H96 Hf96 O416 S192 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0602","0.051","","","0.1461","0.1518","","","","","","1.383","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546836","26.1715","0.0002","26.1715","0.0002","15.3862","0.0001","90","","90","","120","","9126.81","0.12","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C0 H18 B69 Mg7 N0 O126 -","- B69 H18 Mg7 O126 -","- B138 H36 Mg14 O252 -","2","0.166667","","Wang, Jia-Jia; Yang, Guo-Yu","A novel supramolecular magnesoborate framework with snowflake-like channels built by unprecedented huge B <sub>69</sub> cluster cages","Chemical Communications","2017","53","75","10398","10401","10.1039/C7CC05404A","","","1.54178","CuKα","","0.0524","0.0488","","","0.1412","0.1438","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546837","9.785","0.003","7.3055","0.0019","9.929","0.003","90","","118.84","0.002","90","","621.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","S-Sumanene","S-Sumanene","","- C18 H6 S3 -","- C18 H6 S3 -","- C36 H12 S6 -","2","1","","Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin","Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes","Chemical Communications","2017","53","74","10279","10282","10.1039/C7CC05885C","","","0.71073","MoKα","","0.0361","0.0317","","","0.07","0.0732","","","","","","1.045","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546838","12.04","0.0014","20.685","0.002","18.893","0.002","90","","93.345","0.002","90","","4697.2","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Si-Sum","Si-Sumanene","","- C24 H24 Si3 -","- C24 H24 Si3 -","- C192 H192 Si24 -","8","2","","Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin","Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes","Chemical Communications","2017","53","74","10279","10282","10.1039/C7CC05885C","","","0.71073","MoKα","","0.1372","0.0557","","","0.1687","0.2445","","","","","","0.806","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546839","19.3615","0.0001","19.3615","0.0001","14.1645","0.0002","90","","90","","90","","5309.81","0.08","120","0.1","120","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0486","0.0416","","","0.1089","0.1126","","","","","","1.039","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546840","19.3938","0.0001","19.3938","0.0001","14.1496","0.0001","90","","90","","90","","5321.94","0.05","119.99","0.1","119.99","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0298","0.0286","","","0.0738","0.0745","","","","","","1.071","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546841","19.3596","0.0014","19.3596","0.0014","14.1336","0.0015","90","","90","","90","","5297.2","0.8","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0357","0.0332","","","0.0881","0.0894","","","","","","1.069","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546842","28.9068","0.0004","7.9025","0.0001","8.9889","0.0001","90","","90","","90","","2053.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","1","","Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme","Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes","Chemical Science","2017","8","10","7112","7118","10.1039/C7SC03197A","","x-ray","1.54184","CuKα","","0.0243","0.0236","","","0.0639","0.0645","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546843","8.233","0.0008","9.737","0.0008","10.4837","0.001","107.355","0.003","101.071","0.004","111.799","0.003","699.98","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0329","0.0282","","","0.0682","0.0707","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546845","8.0042","0.0002","11.5133","0.0003","17.4969","0.0005","90","","114.231","0.001","90","","1470.37","0.07","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H22 N4 Ni3 O16 -","- C28 H22 N4 Ni3 O16 -","- C56 H44 N8 Ni6 O32 -","2","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0432","0.0336","","","0.0797","0.0843","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546846","18.151","0.0009","11.5168","0.0005","15.9081","0.0008","90","","117.996","0.002","90","","2936.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Co3 N4 O16 -","- C28 H22 Co3 N4 O16 -","- C112 H88 Co12 N16 O64 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.066","0.0413","","","0.0885","0.0973","","","","","","1.008","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546847","26.783","0.003","10.9091","0.001","28.532","0.004","90","","145.631","0.006","90","","4706.1","1.2","103","4","103","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cd Cl2 N8 O9 -","- C32 H20 Cd Cl2 N8 O9 -","- C128 H80 Cd4 Cl8 N32 O36 -","4","0.5","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1372","0.1049","","","0.3075","0.3391","","","","","","1.173","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546850","9.5455","0.0004","13.8394","0.0006","17.274","0.0008","90","","102.492","0.004","90","","2227.94","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd Cl3 N6 O7 -","- C17 H11 Cd Cl3 N6 O7 -","- C68 H44 Cd4 Cl12 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0489","0.0341","","","0.0638","0.0714","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546851","17.3051","0.0005","8.1682","0.0002","12.9742","0.0004","90","","108.332","0.003","90","","1740.85","0.09","288.88","0.16","288.88","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd N6 O7 -","- C16 H10 Cd N6 O7 -","- C64 H40 Cd4 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0397","0.0293","","","0.0595","0.0663","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546852","30.6123","0.001","30.6123","0.001","29.4707","0.0012","90","","90","","120","","23917.3","1.5","108","11","108","11","","","","","","","","6","R -3","-R 3","148","","","","- C32 H20 Cl2 Cu N8 O10 -","- C32 H20 Cl2 Cu N8 O10 -","- C576 H360 Cl36 Cu18 N144 O180 -","18","","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1369","0.1114","","","0.3184","0.3363","","","","","","1.095","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546853","8.4719","0.0005","18.6483","0.001","41.05","0.002","90","","93.604","0.004","90","","6472.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 F6 Ir N7 P -","- C33 H25 F6 Ir N7 P -","- C264 H200 F48 Ir8 N56 P8 -","8","2","","Fiorini, Valentina; Zanoni, Ilaria; Zacchini, Stefano; Costa, Anna Luisa; Hochkoeppler, Alejandro; Zanotti, Valerio; Ranieri, Anna Maria; Massi, Massimiliano; Stefan, Alessandra; Stagni, Stefano","Methylation of Ir( <scp>iii</scp> )-tetrazolato complexes: an effective route to modulate the emission outputs and to switch to antimicrobial properties","Dalton Transactions","2017","46","36","12328","12338","10.1039/C7DT02352A","","","0.71073","MoKα","","0.1711","0.0817","","","0.1483","0.1826","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546854","16.992","0.003","11.9864","0.0019","17.811","0.003","90","","96.203","0.003","90","","3606.4","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Cl4 F10 Ir N7 P -","- C31 H23 Cl4 F10 Ir N7 P -","- C124 H92 Cl16 F40 Ir4 N28 P4 -","4","1","","Fiorini, Valentina; Zanoni, Ilaria; Zacchini, Stefano; Costa, Anna Luisa; Hochkoeppler, Alejandro; Zanotti, Valerio; Ranieri, Anna Maria; Massi, Massimiliano; Stefan, Alessandra; Stagni, Stefano","Methylation of Ir( <scp>iii</scp> )-tetrazolato complexes: an effective route to modulate the emission outputs and to switch to antimicrobial properties","Dalton Transactions","2017","46","36","12328","12338","10.1039/C7DT02352A","","","0.71073","MoKα","","0.1056","0.0857","","","0.212","0.2325","","","","","","1.078","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546855","10.1798","0.0007","21.5492","0.0015","15.7661","0.0011","90","","98.325","0.002","90","","3422.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Ir N10 -","- C38 H31 Ir N10 -","- C152 H124 Ir4 N40 -","4","1","","Fiorini, Valentina; Zanoni, Ilaria; Zacchini, Stefano; Costa, Anna Luisa; Hochkoeppler, Alejandro; Zanotti, Valerio; Ranieri, Anna Maria; Massi, Massimiliano; Stefan, Alessandra; Stagni, Stefano","Methylation of Ir( <scp>iii</scp> )-tetrazolato complexes: an effective route to modulate the emission outputs and to switch to antimicrobial properties","Dalton Transactions","2017","46","36","12328","12338","10.1039/C7DT02352A","","","0.71073","MoKα","","0.0266","0.0219","","","0.0511","0.053","","","","","","1.073","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546856","23.6329","0.0011","16.0739","0.0007","27.4246","0.0011","90","","112.38","0.005","90","","9633.2","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H118 N6 O24 Ti6 -","- C86 H118 N6 O24 Ti6 -","- C344 H472 N24 O96 Ti24 -","4","0.5","","Lv, Hai-Ting; Cui, Ying; Zhang, Yu-Min; Li, Hua-Min; Zou, Guo-Dong; Duan, Rui-Huan; Cao, Jun-Tao; Jing, Qiang-Shan; Fan, Yang","A 4-dimethylaminobenzoate-functionalized Ti <sub>6</sub> -oxo cluster with a narrow band gap and enhanced photoelectrochemical activity: a combined experimental and computational study","Dalton Transactions","2017","46","36","12313","12319","10.1039/C7DT02650A","","","0.71073","MoKα","","0.0772","0.0556","","","0.135","0.1528","","","","","","1.071","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546857","23.3256","0.0012","19.2083","0.001","18.3696","0.001","90","","110.276","0.006","90","","7720.4","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H110 O25 Ti6 -","- C52 H110 O25 Ti6 -","- C208 H440 O100 Ti24 -","4","0.5","","Lv, Hai-Ting; Cui, Ying; Zhang, Yu-Min; Li, Hua-Min; Zou, Guo-Dong; Duan, Rui-Huan; Cao, Jun-Tao; Jing, Qiang-Shan; Fan, Yang","A 4-dimethylaminobenzoate-functionalized Ti <sub>6</sub> -oxo cluster with a narrow band gap and enhanced photoelectrochemical activity: a combined experimental and computational study","Dalton Transactions","2017","46","36","12313","12319","10.1039/C7DT02650A","","","0.71073","MoKα","","0.0959","0.061","","","0.1466","0.1729","","","","","","1.044","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546858","15.6777","0.0006","16.488","0.0006","18.4096","0.0007","90","","103.72","0.004","90","","4623","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H132 O24 Ti6 -","- C84 H132 O24 Ti6 -","- C168 H264 O48 Ti12 -","2","0.5","","Lv, Hai-Ting; Cui, Ying; Zhang, Yu-Min; Li, Hua-Min; Zou, Guo-Dong; Duan, Rui-Huan; Cao, Jun-Tao; Jing, Qiang-Shan; Fan, Yang","A 4-dimethylaminobenzoate-functionalized Ti <sub>6</sub> -oxo cluster with a narrow band gap and enhanced photoelectrochemical activity: a combined experimental and computational study","Dalton Transactions","2017","46","36","12313","12319","10.1039/C7DT02650A","","","0.71073","MoKα","","0.1114","0.0765","","","0.2069","0.2399","","","","","","1.037","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546859","14.8097","0.0008","7.5317","0.0003","9.9117","0.0004","90","","123.617","0.005","90","","920.67","0.09","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H8 Ag I2 N -","- C4 H8 Ag I2 N -","- C16 H32 Ag4 I8 N4 -","4","0.5","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0342","0.0293","","","0.0719","0.0752","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546860","12.8812","0.001","25.6384","0.0015","8.4883","0.0006","90","","108.577","0.008","90","","2657.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ag3 I4 P -","- C20 H20 Ag3 I4 P -","- C80 H80 Ag12 I16 P4 -","4","1","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.083","0.0673","","","0.1826","0.1936","","","","","","0.995","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546861","13.1581","0.0005","25.7903","0.0011","8.5598","0.0003","90","","108.903","0.004","90","","2748.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag3 I4 P -","- C21 H22 Ag3 I4 P -","- C84 H88 Ag12 I16 P4 -","4","1","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0478","0.0374","","","0.1132","0.1215","","","","","","1.005","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546862","14.977","0.0006","27.1022","0.0012","7.9818","0.0003","90","","97.423","0.003","90","","3212.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag5 I6 P -","- C21 H22 Ag5 I6 P -","- C84 H88 Ag20 I24 P4 -","4","1","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0517","0.0388","","","0.0816","0.0894","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546863","9.2674","0.0003","12.5749","0.0005","14.8451","0.0005","90","","99.039","0.003","90","","1708.51","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Ag2 I8 N6 O2 -","- C12 H40 Ag2 I8 N6 O2 -","- C24 H80 Ag4 I16 N12 O4 -","2","0.5","","Liu, Guang-Ning; Zhang, Xu; Wang, Hong-Mei; Xu, Hong; Wang, Zi-Han; Meng, Xiang-Long; Dong, Ya-Nan; Zhao, Ruo-Yu; Li, Cuncheng","Do alkyl groups on aromatic or aliphatic structure directing agents affect water stabilities and properties of hybrid iodoargentates?","Dalton Transactions","2017","46","37","12474","12486","10.1039/C7DT02152F","","","0.71073","MoKα","","0.0305","0.0233","","","0.0475","0.0507","","","","","","0.995","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546864","16.055","0.006","20.351","0.009","22.103","0.007","90","","96.976","0.012","90","","7168","5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[HgI2(IM1)2][Hg2I6]-2H2O","","- C52 H66 Hg3 I8 N8 O8 -","- C52 H60 Hg3 I8 N8 O8 -","- C208 H240 Hg12 I32 N32 O32 -","4","0.5","","Huang, Yong-Qing; Zhao, Yue; Wang, Peng; Okamura, Taka-aki; Laforteza, Brian N.; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan","One-pot synthesis of imidazolinium salts via the ring opening of tetrahydrofuran","Dalton Transactions","2017","46","37","12430","12433","10.1039/C7DT02883K","","","0.71075","MoKα","","0.1109","0.0912","","","0.2039","0.2116","","","","","","1.168","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546865","18.835","0.011","9.183","0.005","9.479","0.005","90","","90","","90","","1639.5","1.6","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- F8 Fe2 Li5 O4 P -","- F8 Fe2 Li5 O4 P -","- F64 Fe16 Li40 O32 P8 -","8","1","","Yaghoobnejad Asl, Hooman; Ghosh, Kartik; Choudhury, Amitava","A highly fluorinated lithium iron phosphate with interpenetrating lattices: electrochemistry and ionic conductivity","Dalton Transactions","2017","46","37","12588","12596","10.1039/C7DT02202F","","","0.71073","MoKα","","0.0296","0.026","","","0.0737","0.076","","","","","","1.205","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546866","18.2854","0.0007","12.6822","0.0004","16.6662","0.0005","90","","97.946","0.004","90","","3827.8","0.2","128.45","0.1","128.45","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Dy F15 N2 Ni O12 -","- C31 H24 Dy F15 N2 Ni O12 -","- C124 H96 Dy4 F60 N8 Ni4 O48 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","x-ray","0.71073","MoKα","","0.0835","0.0609","","","0.1085","0.1188","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546867","12.856","0.003","14.164","0.003","17.346","0.004","90","","92.55","0.03","90","","3155.4","1.2","127.1","0.4","128.6","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N4 Ni2 O22 Yb2 -","- C48 H58 N4 Ni2 O22 Yb2 -","- C96 H116 N8 Ni4 O44 Yb4 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0394","0.0314","","","0.07","0.0755","","","","","","1.052","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546868","12.97","0.003","14.473","0.003","17.537","0.004","90","","90.72","0.03","90","","3291.7","1.3","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N4 Ni2 O22 Tm2 -","- C48 H58 N4 Ni2 O22 Tm2 -","- C96 H116 N8 Ni4 O44 Tm4 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.710747","MoKα","","0.041","0.0363","","","0.0928","0.0955","","","","","","1.043","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546869","11.289","0.0004","12.7006","0.0004","23.3948","0.0008","82.054","0.003","83.489","0.003","76.859","0.003","3223.38","0.19","127.6","0.1","127.6","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H57 Cl4 N2 Ni O11 Tb -","- C66 H57 Cl4 N2 Ni O11 Tb -","- C132 H114 Cl8 N4 Ni2 O22 Tb2 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0513","0.0419","","","0.0847","0.0903","","","","","","1.035","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546870","12.906","0.003","14.263","0.003","17.352","0.004","90","","92.13","0.03","90","","3191.9","1.2","128.35","0.1","128.35","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Ho2 N4 Ni2 O22 -","- C48 H58 Ho2 N4 Ni2 O22 -","- C96 H116 Ho4 N8 Ni4 O44 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0371","0.0317","","","0.0694","0.0729","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546871","12.95","0.003","14.299","0.003","17.45","0.004","90","","91.61","0.03","90","","3230","1.3","130.45","0.1","130.45","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N4 Ni2 O22 Tb2 -","- C48 H58 N4 Ni2 O22 Tb2 -","- C96 H116 N8 Ni4 O44 Tb4 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0419","0.0373","","","0.0998","0.1046","","","","","","1.082","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546872","12.869","0.003","14.249","0.003","17.379","0.004","90","","92.38","0.03","90","","3184","1.2","128.6","0.1","128.6","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Dy2 N4 Ni2 O22 -","- C48 H58 Dy2 N4 Ni2 O22 -","- C96 H116 Dy4 N8 Ni4 O44 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0328","0.0282","","","0.0663","0.069","","","","","","1.068","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546873","18.293","0.004","12.677","0.002","16.658","0.003","90","","97.715","0.005","90","","3828","1.2","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 F15 Gd N2 Ni O12 -","- C31 H24 F15 Gd N2 Ni O12 -","- C124 H96 F60 Gd4 N8 Ni4 O48 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","CuKα","","0.0788","0.0738","","","0.2102","0.2135","","","","","","1.087","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546874","11.2556","0.0016","12.667","0.002","23.339","0.004","82.268","0.015","83.837","0.011","77.065","0.011","3203.3","0.9","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H60 Cl4 Gd N2 Ni O11 -","- C66 H60 Cl4 Gd N2 Ni O11 -","- C132 H120 Cl8 Gd2 N4 Ni2 O22 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.037","0.0334","","","0.0829","0.0844","","","","","","1.1","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546875","18.242","0.002","12.6901","0.0014","16.631","0.0019","90","","97.744","0.002","90","","3814.8","0.7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Eu F15 N2 Ni O12 -","- C31 H24 Eu F15 N2 Ni O12 -","- C124 H96 Eu4 F60 N8 Ni4 O48 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0786","0.0727","","","0.2775","0.2836","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546876","11.2622","0.0008","12.6894","0.0011","23.49","0.002","81.784","0.004","83.709","0.004","76.878","0.004","3225.4","0.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H57 Cl4 Eu N2 Ni O11 -","- C66 H57 Cl4 Eu N2 Ni O11 -","- C132 H114 Cl8 Eu2 N4 Ni2 O22 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.0654","0.062","","","0.1858","0.1878","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546877","11.277","0.0004","12.697","0.0005","23.3931","0.0008","81.822","0.003","83.284","0.003","76.675","0.003","3213.9","0.2","128.75","0.1","128.75","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H57 Cl4 Ho N2 Ni O11 -","- C66 H57 Cl4 Ho N2 Ni O11 -","- C132 H114 Cl8 Ho2 N4 Ni2 O22 -","2","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","x-ray","0.71073","MoKα","","0.0439","0.0382","","","0.0867","0.0902","","","","","","1.028","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546878","12.8413","0.0003","14.1659","0.0005","17.3158","0.0005","90","","92.402","0.002","90","","3147.12","0.16","128.55","0.1","128.55","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Er2 N4 Ni2 O22 -","- C48 H58 Er2 N4 Ni2 O22 -","- C96 H116 Er4 N8 Ni4 O44 -","2","0.5","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71073","MoKα","","0.0308","0.0276","","","0.0649","0.0667","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546879","18.232","0.003","12.6716","0.0017","16.639","0.002","90","","97.967","0.003","90","","3807","0.9","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 F15 N2 Ni O12 Tb -","- C31 H24 F15 N2 Ni O12 Tb -","- C124 H96 F60 N8 Ni4 O48 Tb4 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.076","0.0716","","","0.2126","0.2158","","","","","","1.069","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546880","18.2854","0.0007","12.6822","0.0004","16.6662","0.0005","90","","97.946","0.004","90","","3827.8","0.2","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 F15 N2 Ni O12 Tb -","- C31 H24 F15 N2 Ni O12 Tb -","- C124 H96 F60 N8 Ni4 O48 Tb4 -","4","1","","Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping","Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization","Dalton Transactions","2017","46","37","12558","12573","10.1039/C7DT02351K","","","0.71075","MoKα","","0.0716","0.0689","","","0.1327","0.134","","","","","","0.9983","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546881","8.0072","0.0002","21.2678","0.0006","7.3241","0.0002","90","","90","","90","","1247.26","0.06","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ag3 I3 Mo2 O12 -","- Ag3 I3 Mo2 O12 -","- Ag12 I12 Mo8 O48 -","4","1","","Meng, Chang-Yu; Zhang, Pei; Wang, Rong-Fang; Geng, Lei","Ag <sub>3</sub> I[(MoO <sub>3</sub> ) <sub>2</sub> (IO <sub>3</sub> ) <sub>2</sub> ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag <sup>+</sup> ) and anion (I <sup>−</sup> )","Dalton Transactions","2017","46","36","12320","12327","10.1039/C7DT02795H","","","0.71073","MoKα","","0.0186","0.018","","","0.0384","0.0387","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546882","24.5034","0.0009","6.7673","0.0002","14.7803","0.0005","90","","90","","90","","2450.9","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B2 Cs Na4 O13 P3 -","- B2 Cs Na4 O13 P3 -","- B16 Cs8 Na32 O104 P24 -","8","2","","Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi","Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response","Dalton Transactions","2017","46","37","12605","12611","10.1039/C7DT02649H","","","0.71073","MoKα","","0.0346","0.0282","","","0.0609","0.0635","","","","","","1.098","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546883","24.0348","0.0009","6.7464","0.0002","14.9206","0.0006","90","","90","","90","","2419.35","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B2 Na4 O13 P3 Rb -","- B2 Na4 O13 P3 Rb -","- B16 Na32 O104 P24 Rb8 -","8","2","","Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi","Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response","Dalton Transactions","2017","46","37","12605","12611","10.1039/C7DT02649H","","","0.71073","MoKα","","0.0545","0.0432","","","0.1113","0.1194","","","","","","1.071","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546884","10.8838","0.0008","16.8256","0.0012","19.8906","0.0016","77.578","0.003","78.671","0.003","72.523","0.003","3358.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H194 B4 Fe Ge4 N12 -","- C128 H162 B4 Fe Ge4 N12 -","- C128 H162 B4 Fe Ge4 N12 -","1","0.5","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.1122","0.0817","","","0.1579","0.1699","","","","","","1.134","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546885","11.1579","0.0007","19.2531","0.0019","27.69","0.002","90","","110.45","0.006","90","","5573.6","0.8","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 B2 Ge2 N6 -","- C56 H82 B2 Ge2 N6 -","- C224 H328 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0901","0.0483","","","0.0851","0.0994","","","","","","1.091","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546886","10.759","0.0008","14.972","0.0014","21.213","0.002","75.454","0.009","78.047","0.008","85.108","0.007","3233.8","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 B2 Fe Ge2 N6 -","- C62 H78 B2 Fe Ge2 N6 -","- C124 H156 B4 Fe2 Ge4 N12 -","2","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.1123","0.0677","","","0.1423","0.1741","","","","","","1.121","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546887","52.0662","0.0004","10.3231","0.0002","21.2294","0.0004","90","","112.682","0.003","90","","10528","0.4","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 B2 Fe Ge2 N6 -","- C56 H74 B2 Fe Ge2 N6 -","- C448 H592 B16 Fe8 Ge16 N48 -","8","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0791","0.0439","","","0.0756","0.0899","","","","","","1.153","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546888","19.659","0.002","10.841","0.0008","28.649","0.004","90","","114.791","0.01","90","","5543.1","1.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 B2 Ge2 N6 -","- C58 H74 B2 Ge2 N6 -","- C232 H296 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0993","0.0504","","","0.081","0.1","","","","","","1.131","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546889","10.164","0.0012","21.9981","0.0017","23.169","0.003","90","","112.354","0.012","90","","4791","1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 B2 Ge2 N6 -","- C48 H70 B2 Ge2 N6 -","- C192 H280 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.07","0.0418","","","0.0835","0.1014","","","","","","1.177","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546890","15.39","0.0007","18.312","0.002","36.856","0.005","91.094","0.011","97.193","0.005","91.257","0.008","10300.1","1.9","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 B2 Ge2 N6 -","- C52 H70 B2 Ge2 N6 -","- C416 H560 B16 Ge16 N48 -","8","4","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.1318","0.0669","","","0.1114","0.1375","","","","","","1.115","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546891","22.5261","0.0014","13.268","0.0015","21.209","0.002","90","","112.06","0.009","90","","5874.8","1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H81 B2 Ge2 N6 -","- C63 H81 B2 Ge2 N6 -","- C252 H324 B8 Ge8 N24 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor","Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study","Dalton Transactions","2017","46","36","12339","12353","10.1039/C7DT01950E","","","0.71073","MoKα","","0.0964","0.0476","","","0.0807","0.1018","","","","","","1.147","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546892","16.2952","0.0011","14.3563","0.0007","9.5659","0.0005","90","","92.861","0.005","90","","2235","0.2","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Gd(INNO)(Bza)2(H2O)2]H2O,12aug22d","","","- C20 H20 Gd N O10 -","- C20 H20 Gd N O10 -","- C80 H80 Gd4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.027","0.0233","","","0.0503","0.0525","","","","","","1.067","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546893","16.281","0.004","14.373","0.003","9.581","0.002","90","","93.334","0.004","90","","2238.2","0.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Y(INNO)(Bza)2(H2O)2]H2O,12nov24j","","","- C20 H20 N O10 Y -","- C20 H20 N O10 Y -","- C80 H80 N4 O40 Y4 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0561","0.0379","","","0.091","0.0968","","","","","","1.016","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546894","16.395","0.004","14.508","0.003","9.627","0.002","90","","93.026","0.003","90","","2286.7","0.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Eu(INNO)(Bza)2(H2O)2]H2O,13jan10a","","","- C20 H20 Eu N O10 -","- C20 H22 Eu N O10 -","- C80 H88 Eu4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0367","0.028","","","0.0618","0.0668","","","","","","1.066","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546895","16.302","0.003","14.411","0.002","9.5734","0.0016","90","","93.006","0.002","90","","2246","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Tb(INNO)(Bza)2(H2O)2]H2O,13jan14e","","","- C20 H20 N O10 Tb -","- C20 H20 N O10 Tb -","- C80 H80 N4 O40 Tb4 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0301","0.0258","","","0.0618","0.0642","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546896","16.287","0.002","14.437","0.002","9.5971","0.0013","90","","93.681","0.002","90","","2252","0.5","569","2","569.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Dy(INNO)(Bza)2(H2O)2]H2O,12may28h","","","- C20 H20 Dy N O10 -","- C20 H20 Dy N O10 -","- C80 H80 Dy4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0253","0.0214","","","0.0506","0.0524","","","","","","1.068","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546897","16.3602","0.0017","14.51","0.0015","9.575","0.001","90","","92.566","0.002","90","","2270.7","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Nd(INNO)(Bza)2(H2O)2]H2O,13jan10j","","","- C20 H20 N Nd O10 -","- C20 H20 N Nd O10 -","- C80 H80 N4 Nd4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0212","0.019","","","0.0451","0.0462","","","","","","1.072","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546898","16.312","0.003","14.376","0.002","9.5785","0.0015","90","","93.332","0.002","90","","2242.4","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Er(INNO)(Bza)2(H2O)2]H2O,12nov24i","","","- C20 H20 Er N O10 -","- C20 H20 Er N O10 -","- C80 H80 Er4 N4 O40 -","4","0.5","","Zhu, Wen-Hua; Xiong, Xia; Gao, Chen; Li, Shan; Zhang, Yan; Wang, Juan; Zhang, Chi; Powell, Annie K.; Gao, Song","A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour","Dalton Transactions","2017","46","41","14114","14121","10.1039/C7DT02736B","","","0.71073","MoKα","","0.0359","0.0285","","","0.0621","0.0662","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546899","16.9924","0.0006","16.5973","0.0005","17.5163","0.0006","90","","90","","90","","4940.1","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)diphenyl(phenylethynyl)borate","","- C29 H36 B P -","- C29 H36 B P -","- C232 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0386","0.0344","","","0.0918","0.095","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546900","13.6317","0.0008","11.9518","0.0008","19.7278","0.0013","90","","101.21","0.002","90","","3152.8","0.3","123","2","123","2","","","","","","","","8","C 1 c 1","C -2yc","9","","4,4,5-tri-tert-butyl-1,2,2-triphenyl-3,4-dihydro-2H-1λ^4^,4,2λ^4^-azaphosphaborol-4-ium trifluoromethanesulfonate","","- C33 H44 B F3 N O3 P S -","- C33 H44 B F3 N O3 P S -","- C132 H176 B4 F12 N4 O12 P4 S4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0283","0.0272","","","0.0674","0.0682","","","","","","1.058","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546901","8.4981","0.0005","18.446","0.0011","13.8292","0.0008","90","","96.972","0.002","90","","2151.8","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-di-tert-butyl-5-methyl-2,2-diphenyl-3,4-dihydro-2H-1,4,2-azaphosphaborol-4-ium-2-uide","","- C23 H33 B N P -","- C23 H33 B N P -","- C92 H132 B4 N4 P4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0478","0.0406","","","0.1055","0.1109","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546902","11.0882","0.0005","17.6065","0.0007","18.5479","0.0009","90","","90","","90","","3621","0.3","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","4,4-di-tert-butyl-1,2,2,5-tetraphenyl-3,4-dihydro-2H-1λ^4^,4,2λ^4^-azaphosphaborol-4-ium trifluoromethanesulfonate dichloromethane solvate","","- C36 H42 B Cl2 F3 N O3 P S -","- C36 H42 B Cl2 F3 N O3 P S -","- C144 H168 B4 Cl8 F12 N4 O12 P4 S4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0591","0.0539","","","0.1299","0.135","","","","","","1.023","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546903","8.1447","0.0002","16.6623","0.0004","17.5476","0.0004","90","","91.644","0.001","90","","2380.39","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-di-tert-butyl-5-methyl-2,2-diphenyl-3,4-dihydro-2H-1,4,2-azaphosphaborol-4-ium-2-uide","","- C28 H35 B N P -","- C28 H35 B N P -","- C112 H140 B4 N4 P4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.039","0.035","","","0.0874","0.0899","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546904","17.3762","0.0006","15.4227","0.0005","17.5727","0.0006","90","","90","","90","","4709.3","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)triphenylborate","","- C27 H36 B P -","- C27 H36 B P -","- C216 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0454","0.0403","","","0.1035","0.1076","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546905","10.0726","0.0004","11.0362","0.0004","12.2129","0.0004","88.259","0.001","69.614","0.001","78.174","0.001","1244.34","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","((di-tert-butylphosphonio)methyl)(3,3-dimethylbut-1-yn-1-yl)diphenylborate","","- C27 H40 B P -","- C27 H40 B P -","- C54 H80 B2 P2 -","2","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0582","0.0408","","","0.0904","0.096","","","","","","1.056","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546906","11.4364","0.0004","14.5007","0.0005","14.8879","0.0006","90","","93.698","0.002","90","","2463.81","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H39 B N P -","- C26 H39 B N P -","- C104 H156 B4 N4 P4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0501","0.044","","","0.1205","0.1258","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546907","14.41","0.002","17.145","0.003","17.2175","0.0005","90","","114.14","0.01","90","","3881.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 Al Cl N2 -","- C42 H67 Al Cl N2 -","- C168 H268 Al4 Cl4 N8 -","4","1","","Kundu, Subrata; Sinhababu, Soumen; Dutta, Sayan; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Schwederski, Brigitte; Kaim, Wolfgang; Stückl, A. Claudia; Roesky, Herbert W.","Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals","Chemical Communications","2017","53","76","10516","10519","10.1039/C7CC06358J","","","0.6358","synchrotron","","0.0423","0.0413","","","0.1121","0.1133","","","","","","1.055","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546908","8.6226","0.0012","13.6329","0.0018","22.798","0.003","90","","90","","90","","2679.9","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Wang, Guo-Peng; Chen, Meng-Qing; Zhu, Shou-Fei; Zhou, Qi-Lin","Enantioselective Nazarov cyclization of indole enones cooperatively catalyzed by Lewis acids and chiral Brønsted acids","Chem. Sci.","2017","","","","","10.1039/C7SC03183A","","","0.71073","MoKα","","0.0272","0.0248","","","0.0685","0.0696","","","","","","1.058","","","","has coordinates","199994","2020-10-21","18:00:00",""
"1546909","10.4508","0.0005","24.6808","0.0011","29.1391","0.0013","90","","94.151","0.004","90","","7496.3","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H48 Cl3 F12 O3 P3 Pd3 S4 -","- C73 H48 Cl3 F12 O3 P3 Pd3 S4 -","- C292 H192 Cl12 F48 O12 P12 Pd12 S16 -","4","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","x-ray","0.71073","MoKα","","0.0571","0.0386","","","0.0821","0.0928","","","","","","1.077","","","","has coordinates,has disorder","199995","2020-10-21","18:00:00",""
"1546910","21.8782","0.0004","22.7145","0.0004","39.349","0.003","90","","90","","90","","19554.6","1.6","200","","200","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C704 H656 Ag8 Cl24 F168 O40 P24 Pd24 S24 Sb16 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.0876","0.0665","","","0.1604","0.192","","","","","","1.16","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546911","19.9665","0.0004","30.9093","0.0006","32.546","0.002","90","","90","","90","","20085.8","1.4","200","","200","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C72.75 H52.75 Ag B2 Cl5.25 F17 O2 P3 Pd3 S3 -","- C582 H422 Ag8 B16 Cl42 F136 O16 P24 Pd24 S24 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.1117","0.0802","","","0.2131","0.2819","","","","","","1.202","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546912","13.265","0.003","13.265","0.003","7.545","0.002","90","","90","","120","","1149.8","0.5","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C0.75 K0.08 O3.52 Si1.5 -","- C1.41667 K0.0833333 O3.08333 Si1.5 -","- C17 K O37 Si18 -","12","1","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.75","synchrotron","","0.0801","0.0569","","","0.147","0.1626","","","","","","1.144","","","","has coordinates","200008","2020-10-21","18:00:00",""
"1546913","13.2558","0.0003","13.2558","0.0003","7.5358","0.0002","90","","90","","120","","1146.76","0.05","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C14 K O40 Si18 -","- C14 K O40 Si18 -","- C14 K O40 Si18 -","1","0.0833333","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.75","synchrotron","","0.0458","0.0431","","","0.1216","0.1322","","","","","","1.112","","","","has coordinates","200009","2020-10-21","18:00:00",""
"1546914","13.2269","0.0016","13.2269","0.0016","7.5381","0.001","90","","90","","120","","1142.1","0.2","273","2","273.15","","","","","","","","","4","P -6 m 2","P -6 2","187","Offretite","","","- C14 K O40 Si18 -","- C14 K O40 Si18 -","- C14 K O40 Si18 -","1","0.0833333","","Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian","Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00996H","","x-ray","0.71073","MoKα","","0.0363","0.0358","","","0.1046","0.105","","","","","","1.166","","","","has coordinates","200010","2020-10-21","18:00:00",""
"1546915","19.8561","0.001","7.9076","0.0004","12.5788","0.0006","90","","101.555","0.0016","90","","1935.02","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C84 H116 N4 O20 -","4","1","","Ho (Kenny) Park, Kun; Chen, Rui; Chen, David Y.-K.","Programmed serial stereochemical relay and its application in the synthesis of morphinans","Chem. Sci.","2017","","","","","10.1039/C7SC03189K","","","0.71073","MoKα","","0.0848","0.0464","","","0.0924","0.1058","","","","","","1.017","","","","has coordinates","200012","2020-10-21","18:00:00",""
"1546916","8.087","0.002","10.797","0.003","22.609","0.006","90","","90","","90","","1974.1","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C84 H112 O28 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","","1.54187","CuKα","","0.0331","0.0314","","","0.0828","0.0841","","","","","","1.071","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546917","7.2879","0.0003","11.3154","0.0005","13.6084","0.0005","90","","90","","90","","1122.22","0.08","135","0.1","135","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I2 O2 -","- C8 H12 I2 O2 -","- C32 H48 I8 O8 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","x-ray","0.71073","MoKα","","0.0321","0.0305","","","0.0618","0.0634","","","","","","1.036","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546918","5.7431","0.0013","12.655","0.003","15.118","0.004","69.385","0.006","82.282","0.006","87.431","0.007","1019.1","0.4","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Marichev, Kostiantyn O.; Garcia, Estevan C.; BHOWMICK, KARTICK CHANDRA; Wherritt, Daniel J.; Arman, Hadi; Doyle, Michael P.","Highly selective acylation of polyamines and aminoglycosides by 5-acyl-5-phenyl-1,5-dihydro-4H-pyrazol-4-ones","Chem. Sci.","2017","","","","","10.1039/C7SC03184J","","","0.71075","MoKα","","0.077","0.061","","","0.1302","0.1385","","","","","","1.001","","","","has coordinates","200014","2020-10-21","18:00:00",""
"1546919","6.1284","0.0012","10.938","0.002","11.925","0.002","114.2","0.03","90.94","0.03","91.43","0.03","728.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Li, Kai; Liu, Yuanyuan; Li, Yuanyuan; Feng, Qi; Hou, Hongwei; Tang, Ben Zhong","2,5-bis(4-alkoxycarbonylphenyl)-1,4-diaryl-1,4-dihydropyrrolo[3,2-b]pyrrole (AAPP) AIEgens: tunable RIR and TICT characteristics and their multifunctional applications","Chem. Sci.","2017","","","","","10.1039/C7SC03076B","","","0.71073","MoKα","","0.1209","0.0967","","","0.2441","0.2591","","","","","","1.239","","","","has coordinates","200045","2020-10-21","18:00:00",""
"1546920","6.1875","0.0003","12.1177","0.0005","12.249","0.0005","63.176","0.004","88.118","0.004","81.174","0.004","809.19","0.07","285","0.1","285","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O2 -","- C19 H14 F3 N O2 -","- C38 H28 F6 N2 O4 -","2","1","","Li, Kai; Liu, Yuanyuan; Li, Yuanyuan; Feng, Qi; Hou, Hongwei; Tang, Ben Zhong","2,5-bis(4-alkoxycarbonylphenyl)-1,4-diaryl-1,4-dihydropyrrolo[3,2-b]pyrrole (AAPP) AIEgens: tunable RIR and TICT characteristics and their multifunctional applications","Chem. Sci.","2017","","","","","10.1039/C7SC03076B","","x-ray","1.54184","CuKα","","0.0641","0.0624","","","0.1758","0.1786","","","","","","1.055","","","","has coordinates","200045","2020-10-21","18:00:00",""
"1546921","4.7434","0.0005","6.8568","0.0008","15.0374","0.0015","100.88","0.009","92.184","0.008","103.053","0.009","466.21","0.09","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","- C18 H21 Cl2 N O6 -","1","0.5","BH4026","Smith, Graham","Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]","IUCrData","2017","2","8","x171223","","10.1107/S2414314617012238","","","0.71073","MoKα","","0.0708","0.0516","","","0.104","0.1132","","","","","","1.046","","","","has coordinates,has Fobs","200065","2020-10-21","18:00:00",""
"1546922","30.5325","0.0014","4.8966","0.0002","11.8973","0.0005","90","","99.067","0.002","90","","1756.49","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Methylbenzylammonium chloride hemihydrate","","- C8 H13 Cl N O0.5 -","- C8 H13 Cl N O0.5 -","- C64 H104 Cl8 N8 O4 -","8","1","BV4010","Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C.","4-Methylbenzylammonium chloride hemihydrate","IUCrData","2017","2","8","x171213","","10.1107/S2414314617012135","","","0.71073","MoKα","","0.0716","0.0405","","","0.102","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","215051","2020-10-21","18:00:00",""
"1546923","10.7775","0.0003","9.6848","0.0003","12.1792","0.0004","90","","108.139","0.001","90","","1208.06","0.06","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Vinyl-4-imidazoline-2-thione","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","QM4003","Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1-Vinyl-4-imidazoline-2-thione","IUCrData","2017","2","8","x171207","","10.1107/S241431461701207X","","","0.71073","MoKα","","0.026","0.0241","","","0.0634","0.0649","","","","","","1.077","","","","has coordinates,has Fobs","200067","2020-10-21","18:00:00",""
"1546924","6.1708","0.0002","16.9596","0.0007","14.2882","0.0006","90","","99.9699","0.0019","90","","1472.74","0.1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(Pyridin-2-yl)-1,8-naphthyridine","","- C13 H9 N3 -","- C13 H9 N3 -","- C78 H54 N18 -","6","3","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)-1,8-naphthyridine","IUCrData","2017","2","8","x171221","","10.1107/S2414314617012214","","","0.71075","MoKα","","","0.033","","","","0.0929","","","","","","1.04","","","","has coordinates,has Fobs","200068","2020-10-21","18:00:00",""
"1546925","7.13","0.0002","7.13","0.0002","66.238","0.002","90","","90","","90","","3367.33","0.17","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","hxq119b","","","- C16 H17 F3 N2 O3 S -","- C16 H17 F3 N2 O3 S -","- C128 H136 F24 N16 O24 S8 -","8","1","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0516","0.0479","","","0.1008","0.102","","","","","","1.224","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1546926","15.7976","0.0009","12.996","0.0008","17.9469","0.0011","90","","112.625","0.002","90","","3401","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","lsp182","","","- C17 H19 N3 O2 S -","- C17 H19 N3 O2 S -","- C136 H152 N24 O16 S8 -","8","4","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0452","0.0353","","","0.0723","0.0759","","","","","","1.037","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1546927","11.9931","0.0005","13.7713","0.0006","14.7325","0.0006","89.48","0.001","67.088","0.001","79.592","0.001","2199.33","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H46 Cl2 F6 N4 O3 P Rh -","- C44 H46 Cl2 F6 N4 O3 P Rh -","- C88 H92 Cl4 F12 N8 O6 P2 Rh2 -","2","1","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0258","0.0223","","","0.055","0.056","","","","","","1.038","","","","has coordinates,has disorder","200105","2020-10-21","18:00:00",""
"1546928","5.1","0.0004","6.285","0.0003","5.4295","0.0003","85.815","0.005","114.456","0.005","104.136","0.005","153.545","0.018","100","","100","","0","","","","","","","4","I 1","I 1","1","","zeta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","1.36489","","","","","","","has coordinates","209108","2020-10-21","18:00:00",""
"1546929","5.023","0.0004","5.9846","0.0004","5.4946","0.0005","90","","114.654","0.008","90","","150.11","0.02","100","","100","","0","","","","","","","4","P 1 n 1","P -2yac","7","","epsilon-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","1.36489","","","","","","","has coordinates","200123","2020-10-21","18:00:00",""
"1546930","5.0907","0.0002","6.25954","0.00016","5.3871","0.00019","90","","113.261","0.004","90","","157.709","0.01","290","","290","","0","","","","","","","4","P 1 21 1","P 2yb","4","","beta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","0.977798","","","","","","","has coordinates","200123","2020-10-21","18:00:00",""
"1546931","5.1029","0.0016","6.345","0.0012","5.4331","0.0018","85.91","0.03","114.26","0.03","103.55","0.03","155.85","0.09","290","","290","","0","","","","","","","4","I 1","I 1","1","","zeta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","0.977798","","","","","","","has coordinates","209108","2020-10-21","18:00:00",""
"1546932","9.4673","0.0004","9.5452","0.0003","11.9144","0.0004","112.855","0.001","99.013","0.001","93.323","0.002","971.51","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N O3 Si -","- C18 H33 N O3 Si -","- C36 H66 N2 O6 Si2 -","2","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0319","0.0312","","","0.0826","0.0837","","","","","","1.046","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546933","9.0924","0.0003","16.5218","0.0006","23.0977","0.0008","90","","90","","90","","3469.8","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O3 Si -","- C15 H29 N O3 Si -","- C120 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.027","0.0266","","","0.0684","0.069","","","","","","1.047","","","","has coordinates,has disorder","200154","2020-10-21","18:00:00",""
"1546934","7.5883","0.0002","30.7424","0.0008","7.7047","0.0002","90","","107.783","0.001","90","","1711.49","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 N O Si -","- C16 H29 N O Si -","- C64 H116 N4 O4 Si4 -","4","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0305","0.0298","","","0.0766","0.0774","","","","","","1.056","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546935","8.9713","0.0003","12.6161","0.0003","31.4987","0.0008","90","","90","","90","","3565.11","0.17","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O3 Si -","- C17 H29 N O3 Si -","- C136 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0262","0.0258","","","0.0696","0.0701","","","","","","1.087","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546936","8.717","0.002","9.709","0.002","14.13","0.003","108.586","0.004","101.655","0.004","97.748","0.004","1084.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O3 Si -","- C24 H29 N O3 Si -","- C48 H58 N2 O6 Si2 -","2","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","0.71073","MoKα","","0.0542","0.0448","","","0.1219","0.1323","","","","","","1.034","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546937","13.0101","0.0006","10.7484","0.0005","16.4288","0.0007","90","","106.67","0.001","90","","2200.81","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O2 Si -","- C24 H27 N3 O2 Si -","- C96 H108 N12 O8 Si4 -","4","1","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0308","0.0296","","","0.079","0.0806","","","","","","1.028","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546938","13.41","0.02","14.04","0.02","8.042","0.013","90","","100.64","0.03","90","","1488","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium pyrroledithiocarbamate","","- C5 H4 K N S2 -","- C5 H4 K N S2 -","- C40 H32 K8 N8 S16 -","8","2","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0983","0.0497","","","0.0926","0.11","","","","","","0.969","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546939","7.425","0.006","8.392","0.007","11.614","0.009","78.314","0.012","80.939","0.015","89.287","0.017","699.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Potassium imidazoldithiocarbamate","","- C4 H3 K N2 S2 -","- C4 H3 K N2 S2 -","- C16 H12 K4 N8 S8 -","4","2","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0973","0.0521","","","0.1103","0.1182","","","","","","0.877","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546940","5.764","0.0009","28.756","0.005","7.9313","0.0014","90","","110.631","0.01","90","","1230.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Potassium diisopropyldithiocarbamate","","- C7 H18 K N O2 S2 -","- C7 H18 K N O2 S2 -","- C28 H72 K4 N4 O8 S8 -","4","1","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0886","0.0521","","","0.0992","0.1115","","","","","","1.039","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1546941","9.6894","0.0007","14.7175","0.0011","17.3626","0.0013","90","","92.186","0.002","90","","2474.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 B F4 N O Si -","- C27 H26 B F4 N O Si -","- C108 H104 B4 F16 N4 O4 Si4 -","4","1","","Wong, Man Kin; Deng, Jie-Ren; Chan, Wing-Cheung; Lai, Nathanael Chun-Him; Yang, Bin; Tsang, Chui-Shan; Ko, Ben, Chi-Bun; Chan, Sharon Lai-Fung","Photosensitizer-free visible light-mediated gold-catalysed cis-difunctionalization of silyl-substituted alkynes","Chem. Sci.","2017","","","","","10.1039/C7SC02294H","","","0.71073","MoKα","","0.1167","0.0745","","","0.1647","0.1865","","","","","","1.002","","","","has coordinates,has disorder","200156","2020-10-21","18:00:00",""
"1546942","26.1798","0.0015","26.1798","0.0015","30.736","0.003","90","","90","","120","","18244","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C106.943 H73.411 F7.411 N12 O14.4717 Ru3 -","- C106.943 H73.4147 F7.41474 N12 O14.4716 Ru3 -","- C641.659 H440.488 F44.4884 N72 O86.8295 Ru18 -","6","0.333333","","Kunz, Valentin; Lindner, Joachim O.; Schulze, Marcus; Röhr, Merle I. S.; Schmidt, David; Mitrić, Roland; Würthner, Frank","Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles","Energy Environ. Sci.","2017","","","","","10.1039/C7EE01557G","","","0.71073","MoKα","","0.0446","0.0407","","","0.102","0.1041","","","","","","1.048","","","","has coordinates,has disorder","200165","2020-10-21","18:00:00",""
"1546943","9.4359","0.0008","9.6425","0.0007","3.593","0.0003","90","","90","","90","","326.91","0.05","","","","","","","","","","","","3","B b m m","-B 2 2b","63","Al2TiO5","","","- Al2 O5 Ti -","- Al2 O5 Ti -","- Al8 O20 Ti4 -","4","0.25","","Ohta, Y.; Kawauchi, Y.; Ban, T.","Cation distribution of pseudobrookite-type titanates and their phase stability","Journal of the Ceramic Society of Japan","2017","125","","695","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","200170","2020-10-21","18:00:00",""
"1546946","13.8373","0.0006","35.4652","0.0015","9.5082","0.0004","90","","90","","90","","4666.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H68 N10 O5 S -","- C45 H68 N10 O5 S -","- C180 H272 N40 O20 S4 -","4","1","","Pulka-Ziach, Karolina; Sęk, Sławomir","α-Helicomimetic foldamers as electron transfer mediators","Nanoscale","2017","","","","","10.1039/C7NR05209J","","","1.54178","CuKα","","0.0802","0.0768","","","0.1738","0.1756","","","","","","1.246","","","","has coordinates,has disorder","200197","2020-10-21","18:00:00",""
"1546947","8.6135","0.0007","10.2226","0.0008","19.2641","0.0015","90","","93.739","0.002","90","","1692.6","0.2","233","2","233","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C44 H38 Si -","- C44 H38 Si -","- C88 H76 Si2 -","2","0.5","","Lee, Jiwon; Park, Yoona; Jung, Joori; Han, Won-Sik","Blue-Shifted Aggregation-Induced Emission of Siloles by Simple Structural Modification and Their Application as Nitro Explosive Chemosensor","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00268H","","","0.71073","MoKα","","0.1499","0.0595","","","0.1397","0.1981","","","","","","1.038","","","","has coordinates","200199","2020-10-21","18:00:00",""
"1546949","13.599","0.002","14.523","0.002","15.318","0.002","90.915","0.004","105.079","0.004","92.619","0.003","2916.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H19 Cl6 F20 N4 O S4 Sb -","- C52 H19 Cl6 F20 N4 O S4 Sb -","- C104 H38 Cl12 F40 N8 O2 S8 Sb2 -","2","1","","Panchal, Santosh P.; Anand, Venkataramanarao G.","Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation.","Organic letters","2017","19","18","4854","4857","10.1021/acs.orglett.7b02317","","","0.71073","MoKα","","0.0446","0.0332","","","0.0816","0.0883","","","","","","1.026","","","","has coordinates,has disorder","201756","2020-10-21","18:00:00",""
"1546950","17.946","0.009","9.832","0.005","13.938","0.007","90","","111.169","0.009","90","","2293","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 O2 S -","- C30 H18 O2 S -","- C120 H72 O8 S4 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1788","0.0814","","","0.197","0.268","","","","","","1.01","","","","has coordinates","201758","2020-10-21","18:00:00",""
"1546951","17.278","0.004","10.111","0.002","13.842","0.003","90","","109.626","0.006","90","","2277.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 O2 S2 -","- C30 H18 O2 S2 -","- C120 H72 O8 S8 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1439","0.0725","","","0.1921","0.2499","","","","","","1.01","","","","has coordinates","201758","2020-10-21","18:00:00",""
"1546952","21.918","0.004","6.9184","0.0012","8.0372","0.0014","90","","90","","90","","1218.7","0.4","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H7 F3 O2 S -","- C13 H7 F3 O2 S -","- C52 H28 F12 O8 S4 -","4","0.5","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.1027","0.0792","","","0.2175","0.2389","","","","","","1.085","","","","has coordinates,has disorder","201758","2020-10-21","18:00:00",""
"1546953","16.3124","0.0008","13.3301","0.0007","11.8532","0.0006","90","","109.949","0.002","90","","2422.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl4 N2 Rh -","- C24 H25 Cl4 N2 Rh -","- C96 H100 Cl16 N8 Rh4 -","4","1","","Cerón-Carrasco, José Pedro; Ruiz, José; Vicente, Consuelo; de Haro, Concepción; Bautista, Delia; Zúñiga, José; Requena, Alberto","DFT Simulation of Structural and Optical Properties of 9-Aminoacridine Half-Sandwich Ru(II), Rh(III), and Ir(III) Antitumoral Complexes and Their Interaction with DNA.","Journal of chemical theory and computation","2017","13","8","3898","3910","10.1021/acs.jctc.7b00139","","","0.71073","MoKα","","0.0405","0.0369","","","0.0902","0.0926","","","","","","1.08","","","","has coordinates","200265","2020-10-21","18:00:00",""
"1546954","10.4703","0.0008","8.0849","0.001","33.511","0.002","90","","92.726","0.006","90","","2833.5","0.4","273.77","0.1","273.77","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H34 O3 -","- C19 H34 O3 -","- C114 H204 O18 -","6","3","","Gobu, Fekadu-Roge; Chen, Jian-Jun; Zeng, Jun; Wei, Wen-Jun; Wang, Wei-Feng; Lin, Chang-Jun; Gao, Kun","Isolation, Structure Elucidition, and Immunosuppressive Activity of Diterpenoids from Ligularia fischeri.","Journal of natural products","2017","80","8","2263","2268","10.1021/acs.jnatprod.7b00198","","x-ray","1.54184","CuKα","","0.1313","0.0454","","","0.12","0.1809","","","","","","0.906","","","","has coordinates","200266","2020-10-21","18:00:00",""
"1546955","6.2219","0.0001","12.662","0.0001","28.7249","0.0003","90","","90","","90","","2263","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0435","0.0425","","","0.1344","0.1359","","","","","","1.077","","","","has coordinates,has disorder","200267","2020-10-21","18:00:00",""
"1546956","10.1208","0.0001","10.1208","0.0001","37.134","0.0008","90","","90","","120","","3294.06","0.08","289","2","289","2","","","","","","","","3","P 65","P 65","170","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C144 H216 O18 -","6","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0328","0.0323","","","0.0873","0.0883","","","","","","1.074","","","","has coordinates","200268","2020-10-21","18:00:00",""
"1546957","9.2583","0.0001","8.03346","0.00008","12.0021","0.00014","90","","103.302","0.0011","90","","868.719","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","1.54184","CuKα","","0.029","0.0283","","","0.0719","0.0726","","","","","","1.046","","","","has coordinates","200269","2020-10-21","18:00:00",""
"1546958","5.088","0.0001","11.946","0.0002","23.4043","0.0003","90","","90","","90","","1422.54","0.04","","","","","","","","","","","","3","P 1","P 1","1","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C18 H16 O5 -","1","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","295994","2024-11-19","11:44:04",""
"1546959","5.19667","0.00005","13.40708","0.00009","42.3221","0.0003","90","","90","","90","","2948.67","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C144 H112 O48 -","8","2","","Deyou, Tsegaye; Marco, Makungu; Heydenreich, Matthias; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul A.; Koch, Andreas; Derese, Solomon; Pelletier, Jerry; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Isoflavones and Rotenoids from the Leaves of Millettia oblata ssp. teitensis.","Journal of natural products","2017","80","7","2060","2066","10.1021/acs.jnatprod.7b00255","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0746","0.0753","","","","","","1.061","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546960","13.38","0.0019","8.1608","0.0011","15.983","0.002","90","","103.958","0.003","90","","1693.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 I N2 O2 -","- C19 H15 I N2 O2 -","- C76 H60 I4 N8 O8 -","4","1","","Chen, Mu-Wang; Ji, Yue; Wang, Jie; Chen, Qing-An; Shi, Lei; Zhou, Yong-Gui","Asymmetric Hydrogenation of Isoquinolines and Pyridines Using Hydrogen Halide Generated in Situ as Activator.","Organic letters","2017","19","18","4988","4991","10.1021/acs.orglett.7b02502","","","0.71073","MoKα","","0.0364","0.0296","","","0.0703","0.074","","","","","","1.023","","","","has coordinates","201753","2020-10-21","18:00:00",""
"1546961","6.8948","0.0004","18.337","0.0009","7.3727","0.0005","90","","109.637","0.005","90","","877.92","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0629","0.0439","","","0.0928","0.0952","","","","","","1.002","","","","has coordinates","201755","2020-10-21","18:00:00",""
"1546962","19.0876","0.0009","6.1438","0.0004","8.6807","0.0004","90","","97.141","0.004","90","","1010.09","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0674","0.0537","","","0.1502","0.1805","","","","","","1.086","","","","has coordinates","201755","2020-10-21","18:00:00",""
"1546963","21.9487","0.0009","6.873","0.0003","12.8765","0.0005","90","","91.458","0.003","90","","1941.84","0.14","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O -","- C13 H11 N O -","- C104 H88 N8 O8 -","8","1","","Šafář, Peter; Marchalín, Štefan; Šoral, Michal; Moncol, Ján; Daïch, Adam","Structure and Mechanism Revision of a Catalyzed Cyclization of Benzaldehyde Bearing Alkyne-Nitrile.","Organic letters","2017","19","18","4742","4745","10.1021/acs.orglett.7b01881","","","1.54186","CuKα","","0.0502","0.0375","","","0.0862","0.0911","","","","","","1.002","","","","has coordinates","201755","2020-10-21","18:00:00",""
"1546964","6.7038","0.0001","8.3662","0.0002","16.9526","0.0003","90","","93.198","0.001","90","","949.31","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Feng, Tao; Li, Xue-Mei; He, Jun; Ai, Hong-Lian; Chen, He-Ping; Li, Xiao-Nian; Li, Zheng-Hui; Liu, Ji-Kai","Nicotabin A, a Sesquiterpenoid Derivative from Nicotiana tabacum.","Organic letters","2017","19","19","5201","5203","10.1021/acs.orglett.7b02559","","","1.54178","CuKα","","0.0543","0.0541","","","0.1709","0.1714","","","","","","1.107","","","","has coordinates","202791","2020-10-21","18:00:00",""
"1546965","6.0773","0.0002","14.9171","0.0006","21.7733","0.0008","90","","90","","90","","1973.87","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O4 -","- C23 H18 Br N O4 -","- C92 H72 Br4 N4 O16 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic Enantioselective Vinylogous Allylic Alkylation of Coumarins.","Organic letters","2017","19","18","4944","4947","10.1021/acs.orglett.7b02421","","","0.71073","MoKα","","0.0171","0.0166","","","0.0429","0.0431","","","","","","1.057","","","","has coordinates","201757","2020-10-21","18:00:00",""
"1546966","9.2255","0.0001","13.8573","0.0002","15.8051","0.0002","90","","101.43","","90","","1980.46","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C88 H104 N8 O16 -","2","1","","Yuan, Yu-Xi; Zhang, Yu; Guo, Ling-Li; Wang, Yue-Hu; Goto, Masuo; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Tabercorymines A and B, Two Vobasinyl-Ibogan-Type Bisindole Alkaloids from Tabernaemontana corymbosa.","Organic letters","2017","19","18","4964","4967","10.1021/acs.orglett.7b02445","","","1.54178","CuKα","","0.0326","0.0324","","","0.0858","0.0861","","","","","","1.042","","","","has coordinates","201759","2020-10-21","18:00:00",""
"1546967","19.7501","0.0006","19.7501","0.0006","19.7501","0.0006","90","","90","","90","","7703.9","0.4","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.45 Er K N2 O10 -","- C85.0002 H121.45 Er K N2 O9.9999 -","- C340.001 H485.802 Er4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0501","0.0413","","","0.0805","0.0827","","","","","","1.114","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546968","19.773","0.0007","19.773","0.0007","19.773","0.0007","90","","90","","90","","7730.7","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.6 Dy K N2 O10.6 -","- C85.0002 H121.6 Dy K N2 O10.5999 -","- C340.001 H486.402 Dy4 K4 N8 O42.3996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0571","0.0457","","","0.0916","0.0956","","","","","","1.043","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546969","12.7567","0.0011","15.6646","0.0013","29.878","0.003","90","","96.2651","0.0013","90","","5934.8","0.9","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Dy O3 -","- C63 H75 Dy O3 -","- C252 H300 Dy4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0852","0.0444","","","0.0821","0.0943","","","","","","0.958","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546970","19.7291","0.0009","19.7291","0.0009","19.7291","0.0009","90","","90","","90","","7679.3","0.6","88","2","88","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.35 Gd K N2 O10 -","- C85.0002 H121.35 Gd K N2 O9.9999 -","- C340.001 H485.402 Gd4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0396","0.0372","","","0.094","0.0951","","","","","","1.222","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546971","12.812","0.003","15.716","0.003","29.962","0.006","90","","96.129","0.002","90","","5998","2","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Gd O3 -","- C63 H75 Gd O3 -","- C252 H300 Gd4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0563","0.0339","","","0.0703","0.0766","","","","","","1.014","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546972","21.7362","0.0014","30.613","0.0019","25.4472","0.0016","90","","90","","90","","16932.8","1.9","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H131.5 Dy K O13 -","- C91 H131.5 Dy K O13 -","- C728 H1052 Dy8 K8 O104 -","8","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.078","0.0583","","","0.1389","0.1486","","","","","","1.101","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546973","13.904","0.003","15.774","0.003","16.856","0.003","99.238","0.003","109.444","0.002","106.032","0.003","3217.8","1.1","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H108 O6 -","- C75 H108 O6 -","- C150 H216 O12 -","2","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.1119","0.057","","","0.1267","0.1517","","","","","","0.985","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546974","12.7631","0.0014","15.646","0.0017","29.91","0.003","90","","96.4368","0.0015","90","","5935.1","1.1","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Er O3 -","- C63 H75 Er O3 -","- C252 H300 Er4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0565","0.0335","","","0.0672","0.0741","","","","","","0.985","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546975","11.5124","0.001","36.81","0.003","11.9512","0.001","90","","106.73","0.0009","90","","4850.2","0.7","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Nd O3 -","- C63 H75 Nd O3 -","- C252 H300 Nd4 O12 -","4","1","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0551","0.0453","","","0.0825","0.085","","","","","","1.228","","","","has coordinates","200357","2020-10-21","18:00:00",""
"1546976","19.798","0.003","19.798","0.003","19.798","0.003","90","","90","","90","","7760","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.37 Dy K N2 O10 -","- C85.0002 H121.37 Dy K N2 O9.9999 -","- C340.001 H485.482 Dy4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.045","0.0417","","","0.0959","0.097","","","","","","1.218","","","","has coordinates,has disorder","200358","2020-10-21","18:00:00",""
"1546977","6.183","0.0007","11.5573","0.0013","17.814","0.002","90","","90","","90","","1273","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","","Zhou, Min; Ma, Hang-Ying; Xing, Huan-Huan; Li, Ping; Li, Gan-Peng; Geng, Hui-Chun; Hu, Qiu-Fen; Yang, Guang-Yu","Biomimetic Synthesis of Macahydantoins A and B from Lepidium meyenii, and Structure Revision of Macahydantoin B as a Class of Thiohydantoin with a 4-Methyl-hexahydropyrrolo[1,2-c]imidazole Skeleton.","Organic letters","2017","19","18","4952","4955","10.1021/acs.orglett.7b02433","","","0.71073","MoKα","","0.0832","0.0761","","","0.1882","0.1935","","","","","","1.057","","","","has coordinates","201754","2020-10-21","18:00:00",""
"1546978","8.63","0.002","9.462","0.002","10.851","0.003","77.707","0.002","71.394","0.002","74.71","0.002","802","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F3 O3 -","- C18 H17 F3 O3 -","- C36 H34 F6 O6 -","2","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0501","0.0462","","","0.1204","0.1251","","","","","","1.123","","","","has coordinates","202808","2020-10-21","18:00:00",""
"1546979","10.5268","0.0011","14.1611","0.0015","15.3518","0.0016","90","","95.76","0.001","90","","2277","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H70 Cl N2 O P Ru -","- C46 H70 Cl N2 O P Ru -","- C92 H140 Cl2 N4 O2 P2 Ru2 -","2","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0227","0.0216","","","0.0488","0.0493","","","","","","1.02","","","","has coordinates,has disorder","202808","2020-10-21","18:00:00",""
"1546980","12.1942","0.0014","17.651","0.002","18.374","0.002","90","","103.235","0.001","90","","3849.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Cl N2 O P Ru -","- C40 H60 Cl N2 O P Ru -","- C160 H240 Cl4 N8 O4 P4 Ru4 -","4","1","","Mutoh, Yuichiro; Mohara, Yusei; Saito, Shinichi","(Z)-Selective Hydrosilylation of Terminal Alkynes with HSiMe(OSiMe3)2 Catalyzed by a Ruthenium Complex Containing an N-Heterocyclic Carbene.","Organic letters","2017","19","19","5204","5207","10.1021/acs.orglett.7b02477","","","0.71073","MoKα","","0.0415","0.0324","","","0.0742","0.0782","","","","","","1.022","","","","has coordinates,has disorder","202808","2020-10-21","18:00:00",""
"1546981","13.5479","0.0019","9.9822","0.0012","15.552","0.002","90","","114.145","0.003","90","","1919.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 O6 S -","- C16 H20 N6 O6 S -","- C64 H80 N24 O24 S4 -","4","1","","Zhou, Shaa; Hua, Xue-Wen; Wei, Wei; Gu, Yu-Cheng; Liu, Xiao-Qing; Chen, Jing-Huo; Chen, Ming-Gui; Xie, Yong-Tao; Zhou, Sha; Meng, Xiang-De; Zhang, Yan; Li, Yong-Hong; Wang, Bao-Lei; Song, Hai-Bin; Li, Zheng-Ming","Research on Controllable Degradation of Novel Sulfonylurea Herbicides in Acidic and Alkaline Soils.","Journal of agricultural and food chemistry","2017","65","35","7661","7668","10.1021/acs.jafc.7b03029","","","0.71075","MoKα","","0.1269","0.1195","","","0.3439","0.3482","","","","","","1.116","","","","has coordinates","200441","2020-10-21","18:00:00",""
"1546982","11.1064","0.0003","21.5351","0.0006","12.1674","0.0003","90","","105.031","0.0009","90","","2810.6","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 Ni O3 -","- C32 H35 N3 Ni O3 -","- C128 H140 N12 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","1.54178","CuKα","","0.0213","0.0212","","","0.0573","0.0574","","","","","","1.028","","","","has coordinates","200442","2020-10-21","18:00:00",""
"1546983","8.906","0.006","19.873","0.013","15.385","0.01","90","","89.763","0.011","90","","2723","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cl N2 O4 -","- C33 H25 Cl N2 O3.97 -","- C132 H100 Cl4 N8 O15.88 -","4","1","","Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki","Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles","The Journal of Physical Chemistry C","2017","121","28","15049","","10.1021/acs.jpcc.7b03046","","","0.71075","MoKα","","","0.0933","","","","0.1107","","","","","","1.047","","","","has coordinates","200476","2020-10-21","18:00:00",""
"1546984","9.469","0.004","10.302","0.006","14.831","0.007","100.015","0.012","93.889","0.01","98.216","0.016","1403.7","1.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 B F4 N2 O2 -","- C33 H25 B F4 N2 O2 -","- C66 H50 B2 F8 N4 O4 -","2","1","","Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki","Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles","The Journal of Physical Chemistry C","2017","121","28","15049","","10.1021/acs.jpcc.7b03046","","","0.71075","MoKα","","","0.1255","","","","0.1194","","","","","","1.064","","","","has coordinates","200476","2020-10-21","18:00:00",""
"1546985","15.576","0.004","13.62","0.003","30.334","0.008","90","","92.976","0.006","90","","6427","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 Cl N2 O6 -","- C35 H29 Cl N2 O6 -","- C280 H232 Cl8 N16 O48 -","8","2","","Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki","Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles","The Journal of Physical Chemistry C","2017","121","28","15049","","10.1021/acs.jpcc.7b03046","","","0.71075","MoKα","","","0.0941","","","","0.1188","","","","","","1.021","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546986","19.4248","0.0014","22.9964","0.0016","16.8921","0.0013","90","","112.874","0.002","90","","6952.3","0.9","285","","284.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 O0.5 -","- C47 H42 O0.5 -","- C376 H336 O4 -","8","2","","Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei","Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors","The Journal of Physical Chemistry C","2017","121","27","14803","","10.1021/acs.jpcc.7b03366","","x-ray","0.71073","MoKα","","0.1815","0.0696","","","0.1446","0.1865","","","","","","1.024","","","","has coordinates","200477","2020-10-21","18:00:00",""
"1546987","10.9011","0.0007","12.3189","0.001","13.9641","0.001","104.914","0.007","97.452","0.006","113.494","0.007","1603.7","0.2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 N2 O2 P S -","- C39 H33 N2 O2 P S -","- C78 H66 N4 O4 P2 S2 -","2","1","","Xu, Liguo; Hu, Rongrong; Tang, Ben Zhong","Room Temperature Multicomponent Polymerizations of Alkynes, Sulfonyl Azides, and Iminophosphorane toward Heteroatom-Rich Multifunctional Poly(phosphorus amidine)s","Macromolecules","2017","50","16","6043","","10.1021/acs.macromol.7b01096","","","0.71073","MoKα","","0.0786","0.0527","","","0.1184","0.1394","","","","","","1.027","","","","has coordinates","200484","2020-10-21","18:00:00",""
"1546988","10.868","0.005","18.047","0.005","18.198","0.005","80.511","0.005","84.82","0.005","80.357","0.005","3463","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H70 Br2 F6 N2 Ni O2 -","- C80 H70 Br2 F6 N2 Ni O2 -","- C160 H140 Br4 F12 N4 Ni2 O4 -","2","1","","Lian, Kunbo; Zhu, Yun; Li, Weimin; Dai, Shengyu; Chen, Changle","Direct Synthesis of Thermoplastic Polyolefin Elastomers from Nickel-Catalyzed Ethylene Polymerization","Macromolecules","2017","50","16","6074","","10.1021/acs.macromol.7b01087","","","0.71069","MoKα","","0.0778","0.0758","","","0.2361","0.2382","","","","","","0.883","","","","has coordinates","200485","2020-10-21","18:00:00",""
"1546989","12.3168","0.0003","32.5315","0.0007","19.0366","0.0004","90","","101.275","0.002","90","","7480.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H65 B F24 N2 O2 Pd -","- C77 H65 B F24 N2 O2 Pd -","- C308 H260 B4 F96 N8 O8 Pd4 -","4","1","","Zhong, Shuhuang; Tan, Yingxin; Zhong, Liu; Gao, Jie; Liao, Heng; Jiang, Long; Gao, Haiyang; Wu, Qing","Precision Synthesis of Ethylene and Polar Monomer Copolymers by Palladium-Catalyzed Living Coordination Copolymerization","Macromolecules","2017","50","15","5661","","10.1021/acs.macromol.7b01132","","x-ray","0.71073","MoKα","","0.0723","0.0546","","","0.1331","0.1463","","","","","","1.02","","","","has coordinates,has disorder","200486","2020-10-21","18:00:00",""
"1546990","12.8041","0.0003","16.33","0.0003","17.5886","0.0004","83.648","0.002","84.794","0.002","86.404","0.002","3634.8","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H62 B F24 N3 Pd -","- C75 H62 B F24 N3 Pd -","- C150 H124 B2 F48 N6 Pd2 -","2","1","","Zhong, Shuhuang; Tan, Yingxin; Zhong, Liu; Gao, Jie; Liao, Heng; Jiang, Long; Gao, Haiyang; Wu, Qing","Precision Synthesis of Ethylene and Polar Monomer Copolymers by Palladium-Catalyzed Living Coordination Copolymerization","Macromolecules","2017","50","15","5661","","10.1021/acs.macromol.7b01132","","x-ray","1.54184","CuKα","","0.0399","0.0358","","","0.0915","0.0975","","","","","","1.06","","","","has coordinates,has disorder","200487","2020-10-21","18:00:00",""
"1546991","19.785","0.008","10.825","0.002","18.145","0.005","90","","107.375","0.008","90","","3708.8","1.9","150","2","150","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C164 H188 Cl4 N8 Pd4 -","4","1","","Zhong, Shuhuang; Tan, Yingxin; Zhong, Liu; Gao, Jie; Liao, Heng; Jiang, Long; Gao, Haiyang; Wu, Qing","Precision Synthesis of Ethylene and Polar Monomer Copolymers by Palladium-Catalyzed Living Coordination Copolymerization","Macromolecules","2017","50","15","5661","","10.1021/acs.macromol.7b01132","","x-ray","0.71073","MoKα","","0.0752","0.0471","","","0.0906","0.1028","","","","","","0.948","","","","has coordinates","200488","2020-10-21","18:00:00",""
"1546992","19.2095","0.0011","8.4395","0.0005","27.5953","0.0012","90","","113.721","0.003","90","","4095.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C232 H160 O16 -","8","2","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0687","0.0428","","","0.1109","0.1223","","","","","","1.048","","","","has coordinates","202785","2020-10-21","18:00:00",""
"1546993","10.697","0.007","9.083","0.006","35.93","0.02","90","","90","","90","","3491","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0551","0.0401","","","0.0956","0.1051","","","","","","1.024","","","","has coordinates","202785","2020-10-21","18:00:00",""
"1546994","9.6575","0.001","16.1093","0.0016","15.3346","0.0016","90","","103.579","0.002","90","","2319","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O2 -","- C31 H24 O2 -","- C124 H96 O8 -","4","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0541","0.0385","","","0.102","0.114","","","","","","1.001","","","","has coordinates,has disorder","202785","2020-10-21","18:00:00",""
"1546995","18.548","0.004","11.9461","0.0013","18.0773","0.0018","90","","96.376","0.014","90","","3980.7","1","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","Compound 24","","- C17.67 H21.28 Cl1.3 N0.89 O1.78 -","- C17.6724 H21.2813 Cl1.30222 N0.888889 O1.77778 -","- C159.052 H191.532 Cl11.72 N8 O16 -","9","2.25","","Dixon, Darren; Xie, Lan-Gui","Tertiary Amine Synthesis via Reductive Coupling of Amides with Grignard Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03613B","","","1.54184","CuKα","","0.1184","0.0893","","0.2966","0.2241","0.2959","","","","","","1.0347","","","","has coordinates,has disorder","200505","2020-10-21","18:00:00",""
"1546996","18.6598","0.0007","18.6598","0.0007","18.6598","0.0007","90","","90","","90","","6497.1","0.4","103","2","103","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C8 H8 Cd2 N20 -","- C8 H8 Cd2 N20.0033 -","- C96 H96 Cd24 N240.04 -","12","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0255","0.0246","","","0.0596","0.0603","","","","","","1.017","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546997","17.6639","0.0019","17.6639","0.0019","17.6639","0.0019","90","","90","","90","","5511.4","1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C96 H96 N144 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0354","0.034","","","0.0989","0.1006","","","","","","1.019","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546998","18.148","0.002","18.148","0.002","18.148","0.002","90","","90","","90","","5977","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Mn N6 -","- C4 H4 Mn N6 -","- C96 H96 Mn24 N144 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0272","0.0253","","","0.062","0.0629","","","","","","1.025","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1546999","18.143","0.004","18.143","0.004","18.143","0.004","90","","90","","90","","5972","2","153","2","153","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C48 H48 Mn12 N72 O12 -","- C48 H48 Mn12 N72 O12.16 -","- C96 H96 Mn24 N144 O24.32 -","2","0.0104167","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0389","0.0293","","","0.0748","0.08","","","","","","1.016","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547000","18.6249","0.0018","18.6249","0.0018","18.6249","0.0018","90","","90","","90","","6460.7","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Cd N6 -","- C4 H4 Cd N6 -","- C96 H96 Cd24 N144 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0216","0.0193","","","0.0466","0.0484","","","","","","1.037","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547001","18.6035","0.0013","18.6035","0.0013","18.6035","0.0013","90","","90","","90","","6438.5","0.8","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 Cd N7 -","- C4 H4 Cd N6.98667 -","- C96 H96 Cd24 N167.68 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0184","0.0166","","","0.0461","0.0485","","","","","","1.044","","","","has coordinates,has disorder","200507","2020-10-21","18:00:00",""
"1547002","18.6158","0.0019","18.6158","0.0019","18.6158","0.0019","90","","90","","90","","6451.3","1.1","103","2","103","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4.1 Cd N6 O0.82 -","- C4 H4.08 Cd N6 O0.813333 -","- C96 H97.92 Cd24 N144 O19.52 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0285","0.0246","","","0.0678","0.0725","","","","","","1.087","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547003","17.656","0.002","17.656","0.002","17.656","0.002","90","","90","","90","","5504","1.1","103","2","103","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N8 Zn -","- C4 H4 N7.97333 Zn -","- C96 H96 N191.36 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0233","0.0198","","","0.0483","0.0503","","","","","","1.049","","","","has coordinates,has disorder","200507","2020-10-21","18:00:00",""
"1547004","17.715","0.003","17.715","0.003","17.715","0.003","90","","90","","90","","5559.3","1.6","93","2","93","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H4 N6 O1.33 Zn -","- C4 H4 N6 O1.33333 Zn -","- C96 H96 N144 O32 Zn24 -","24","0.125","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0339","0.0295","","","0.0685","0.0716","","","","","","1.034","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1547005","10.9714","0.0009","16.4516","0.0014","15.508","0.0013","90","","97.083","0.001","90","","2777.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O8 S -","- C30 H28 N2 O8 S -","- C120 H112 N8 O32 S4 -","4","2","","Yue, Deng-Feng; Zhao, Jian-Qiang; Chen, Xiao-Zhen; Zhou, Yan; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Multiple Hydrogen-Bonding Bifunctional Thiourea-Catalyzed Asymmetric Dearomative [4 + 2] Annulation of 3-Nitroindoles: Highly Enantioselective Access to Hydrocarbazole Skeletons.","Organic letters","2017","19","17","4508","4511","10.1021/acs.orglett.7b02068","","","0.71073","MoKα","","0.032","0.0295","","","0.0804","0.0824","","","","","","1.049","","","","has coordinates","200514","2020-10-21","18:00:00",""
"1547006","17.34103","0.00012","17.34103","0.00012","15.00551","0.0001","90","","90","","120","","3907.79","0.05","273","","273","","","","","","","","","6","P 65","P 65","170","","(S)-4-amino-2-(6-chloro-1-(3,3,4,4,4-pentafluorobutyl) -1H-indazol-3-yl)-5-methyl-5-phenyl-5,7-dihydro -6H-pyrrolo[2,3-d]pyrimidin-6-one","","- C24 H18 Cl F5 N6 O -","- C24 H18 Cl F5 N6 O -","- C144 H108 Cl6 F30 N36 O6 -","6","1","","Whitehead, Alan; Zhang, Yong; McCabe Dunn, Jamie; Sherer, Edward C.; Lam, Yu-Hong; Stelmach, John; Sun, Aaron; Shiroda, Melisa; Orr, Robert K.; Waddell, Sherman T.; Raghavan, Subharekha","Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones.","Organic letters","2017","19","17","4448","4451","10.1021/acs.orglett.7b01930","","x-ray","1.5418","CuKα","","0.0313","0.0288","","","0.0757","0.0769","","","","","","1.031","","","","has coordinates","200515","2020-10-21","18:00:00",""
"1547007","9.8273","0.0009","11.3792","0.0011","11.6772","0.0011","75.657","0.005","86.929","0.005","87.177","0.004","1262.4","0.2","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","2","","Li, Shuang; Zhang, Pengpeng; Li, Yuanhe; Lu, Shumin; Gong, Jianxian; Yang, Zhen","Diastereoselective Synthesis of Diquinanes and Triquinanes Bearing Vicinal Quaternary Carbon Stereocenters from Acyclic Allene-based Precursors via a Cascade Reaction.","Organic letters","2017","19","17","4416","4419","10.1021/acs.orglett.7b01733","","x-ray","1.54178","CuKα","","0.057","0.0433","","","0.0961","0.1039","","","","","","1.045","","","","has coordinates,has disorder","200516","2020-10-21","18:00:00",""
"1547008","8.676","0.0008","10.2291","0.0011","15.0456","0.0019","88.703","0.008","82.757","0.007","70.564","0.006","1248.9","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O6 S -","- C26 H30 N2 O6 S -","- C52 H60 N4 O12 S2 -","2","1","","Jia, Penghao; Zhang, Qinglong; Ou, Qima; Huang, You","Sequential [1 + 4]- and [2 + 3]-Annulation of Prop-2-ynylsulfonium Salts: Access to Hexahydropyrrolo[3,2-b]indoles.","Organic letters","2017","19","17","4664","4667","10.1021/acs.orglett.7b02298","","","0.71073","MoKα","","0.0363","0.032","","","0.1051","0.1143","","","","","","1.048","","","","has coordinates","200517","2020-10-21","18:00:00",""
"1547009","8.727","0.0004","7.2341","0.0003","14.172","0.0006","90","","100.811","0.0017","90","","878.83","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C42 H38 N6 O4 -","2","1","","Verho, Oscar; Maetani, Micah; Melillo, Bruno; Zoller, Jochen; Schreiber, Stuart L.","Stereospecific Palladium-Catalyzed C-H Arylation of Pyroglutamic Acid Derivatives at the C3 Position Enabled by 8-Aminoquinoline as a Directing Group.","Organic letters","2017","19","17","4424","4427","10.1021/acs.orglett.7b01776","","","1.54178","CuKα","","0.0261","0.0259","","","0.0681","0.0683","","","","","","1.044","","","","has coordinates","200518","2020-10-21","18:00:00",""
"1547010","15.2424","0.0015","18.1764","0.0016","23.33","0.002","90","","90.142","0.001","90","","6463.6","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N O2 P -","- C33 H24 N O2 P -","- C264 H192 N8 O16 P8 -","8","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Tribenzo[b,e,g]phosphindole Oxides via Radical Bicyclization Cascades of o-Arylalkynylanilines.","Organic letters","2017","19","17","4512","4515","10.1021/acs.orglett.7b02071","","","0.71073","MoKα","","0.1248","0.0628","","","0.1434","0.1554","","","","","","1.043","","","","has coordinates","200519","2020-10-21","18:00:00",""
"1547011","35.217","0.0007","5.7717","0.0001","14.5002","0.0002","90","","101.811","0.002","90","","2884.94","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C144 H136 F8 N16 O8 -","8","2","","Jackl, Moritz K.; Legnani, Luca; Morandi, Bill; Bode, Jeffrey W.","Continuous Flow Synthesis of Morpholines and Oxazepanes with Silicon Amine Protocol (SLAP) Reagents and Lewis Acid Facilitated Photoredox Catalysis.","Organic letters","2017","19","17","4696","4699","10.1021/acs.orglett.7b02395","","x-ray","1.54184","CuKα","","0.039","0.035","","","0.0917","0.094","","","","","","1.031","","","","has coordinates","200520","2020-10-21","18:00:00",""
"1547012","9.2809","0.0004","12.2308","0.0006","15.3442","0.0007","90","","105.217","0.002","90","","1680.7","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","LCM1-059P","sarpong92","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Pflueger, Jason J.; Morrill, Louis C.; deGruyter, Justine N; Perea, Melecio A.; Sarpong, Richmond","Magnesiate Addition/Ring-Expansion Strategy To Access the 6-7-6 Tricyclic Core of Hetisine-Type C20-Diterpenoid Alkaloids.","Organic letters","2017","19","17","4632","4635","10.1021/acs.orglett.7b02260","","","1.54178","CuKα","","0.0403","0.0361","","","0.0917","0.0955","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1547013","8.4697","0.0016","9.1799","0.0017","11.529","0.002","80.283","0.004","85.841","0.004","80.636","0.004","870.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C46 H34 N2 O4 S2 -","2","1","","Fan, Xing; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Cascade Amination/Cyclization/Aromatization Process for the Rapid Construction of [2,3-c]Dihydrocarbazoles and [2,3-c]Carbazoles.","Organic letters","2017","19","17","4476","4479","10.1021/acs.orglett.7b01957","","","0.71073","MoKα","","0.0669","0.0526","","","0.1385","0.1505","","","","","","1.038","","","","has coordinates","200522","2020-10-21","18:00:00",""
"1547014","25.017","0.004","5.7228","0.001","26.74","0.005","90","","117.639","0.003","90","","3391.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Fan, Xing; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Cascade Amination/Cyclization/Aromatization Process for the Rapid Construction of [2,3-c]Dihydrocarbazoles and [2,3-c]Carbazoles.","Organic letters","2017","19","17","4476","4479","10.1021/acs.orglett.7b01957","","","0.71073","MoKα","","0.0482","0.0411","","","0.1045","0.1097","","","","","","1.031","","","","has coordinates","200523","2020-10-21","18:00:00",""
"1547015","13.878","0.004","19.159","0.005","7.189","0.002","90","","104.662","0.009","90","","1849.2","0.9","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H18 O4 S2 -","- C22 H18 O4 S2 -","- C88 H72 O16 S8 -","4","1","","Kawashima, Hitomi; Yanagi, Tomoyuki; Wu, Chien-Chi; Nogi, Keisuke; Yorimitsu, Hideki","Regioselective C-H Sulfanylation of Aryl Sulfoxides by Means of Pummerer-Type Activation.","Organic letters","2017","19","17","4552","4555","10.1021/acs.orglett.7b02147","","","1.54187","CuKα","","0.0289","0.0246","","","0.0584","0.0595","","","","","","1.004","","","","has coordinates","200524","2020-10-21","18:00:00",""
"1547016","10.5503","0.0013","25.29","0.003","8.0177","0.001","90","","93.112","0.002","90","","2136.1","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","","0.71073","MoKα","","0.1256","0.0558","","","0.1282","0.1587","","","","","","1.007","","","","has coordinates","200525","2020-10-21","18:00:00",""
"1547017","14.427","0.0004","6.42046","0.00013","17.0456","0.0005","90","","109.769","0.003","90","","1485.85","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0423","0.0394","","","0.1002","0.1027","","","","","","1.045","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547018","11.7424","0.0006","8.2014","0.0004","17.3455","0.0008","90","","105.694","0.005","90","","1608.17","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.","Organic letters","2017","19","17","4540","4543","10.1021/acs.orglett.7b02121","","x-ray","1.54184","CuKα","","0.0741","0.07","","","0.1981","0.1997","","","","","","1.056","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547019","10.1183","0.0007","6.5997","0.0006","15.6889","0.0008","90","","96.969","0.006","90","","1039.93","0.13","294.44","0.1","294.44","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C40 H62 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","0.71073","MoKα","","0.1011","0.062","","","0.141","0.1714","","","","","","1.031","","","","has coordinates","200528","2020-10-21","18:00:00",""
"1547020","7.3804","0.0017","9.68","0.002","16.898","0.004","87.64","0.02","86.23","0.02","89.091","0.019","1203.5","0.5","290.92","0.1","290.92","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","2","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.1574","0.0652","","","0.1866","0.2182","","","","","","0.912","","","","has coordinates","200529","2020-10-21","18:00:00",""
"1547021","7.0462","0.0003","14.9347","0.0009","16.4046","0.001","90","","90","","90","","1726.3","0.17","290.92","0.1","290.92","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0955","0.0629","","","0.1279","0.1519","","","","","","1.067","","","","has coordinates","200530","2020-10-21","18:00:00",""
"1547022","9.2948","0.0005","11.2533","0.0007","11.0889","0.0007","90","","95.716","0.006","90","","1154.1","0.12","290.92","0.1","290.92","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 Cl2 N O4 -","- C24 H29 Cl2 N O4 -","- C48 H58 Cl4 N2 O8 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0595","0.0436","","","0.0923","0.1056","","","","","","1.096","","","","has coordinates","200531","2020-10-21","18:00:00",""
"1547023","9.80751","0.00015","6.84454","0.00011","11.263","0.0002","90","","105.833","0.0018","90","","727.38","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0702","0.0704","","","","","","1.059","","","","has coordinates","200532","2020-10-21","18:00:00",""
"1547024","10.9576","0.0003","10.9859","0.0003","13.5339","0.0005","99.194","0.003","98.907","0.003","102.923","0.002","1536.48","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","4","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","x-ray","1.54184","CuKα","","0.069","0.0683","","","0.1722","0.1736","","","","","","1.06","","","","has coordinates","200533","2020-10-21","18:00:00",""
"1547025","8.5856","0.0005","26.6604","0.0015","9.0241","0.0006","90","","98.396","0.002","90","","2043.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F N2 O2 S -","- C23 H21 F N2 O2 S -","- C92 H84 F4 N8 O8 S4 -","4","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.1244","0.0659","","","0.1033","0.1314","","","","","","1.002","","","","has coordinates","200534","2020-10-21","18:00:00",""
"1547026","28.1291","0.0017","11.3338","0.0005","14.8299","0.0008","90","","91.255","0.005","90","","4726.8","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.0659","0.0464","","","0.1258","0.1369","","","","","","1.081","","","","has coordinates","200535","2020-10-21","18:00:00",""
"1547027","6.8692","0.0007","7.4511","0.0009","15.6394","0.0018","85.058","0.009","80.243","0.009","68.404","0.01","733.27","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C32 H28 N4 O6 S2 -","2","1","","Ding, Hualong; Bai, Songlin; Lu, Ping; Wang, Yanguang","Preparation of 2-Amino-3-arylindoles via Pd-Catalyzed Coupling between 3-Diazoindolin-2-imines and Arylboronic Acids as well as Their Extension to 3-Aryl-3-fluoroindolin-2-imines.","Organic letters","2017","19","17","4604","4607","10.1021/acs.orglett.7b02211","","","0.71073","MoKα","","0.1054","0.0688","","","0.1627","0.1969","","","","","","1.059","","","","has coordinates","200536","2020-10-21","18:00:00",""
"1547028","7.467","0.003","9.477","0.005","14.485","0.005","90","","97.593","0.008","90","","1016","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C44 H54 N2 O12 -","2","1","","Liu, Xin; Hu, Ya-Jian; Chen, Bo; Min, Long; Peng, Xiao-Shui; Zhao, Jing; Li, Shaoping; Wong, Henry N. C.; Li, Chuang-Chuang","Asymmetric Total Syntheses of Colchicine, β-Lumicolchicine, and Allocolchicinoid N-Acetylcolchinol-O-methyl Ether (NCME).","Organic letters","2017","19","17","4612","4615","10.1021/acs.orglett.7b02224","","","1.54178","CuKα","","0.0931","0.0709","","","0.1877","0.2555","","","","","","1.158","","","","has coordinates","200537","2020-10-21","18:00:00",""
"1547029","10.3221","0.0013","12.3513","0.001","12.897","0.0019","69.442","0.011","80.911","0.012","66.205","0.01","1408.4","0.3","292","0.3","292","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N2 O2 S -","- C32 H38 N2 O2 S -","- C64 H76 N4 O4 S2 -","2","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.1056","0.061","","","0.1194","0.1511","","","","","","1.051","","","","has coordinates","200538","2020-10-21","18:00:00",""
"1547030","14.3783","0.0011","16.669","0.0009","14.5602","0.0008","90","","109.563","0.008","90","","3288.2","0.4","287.76","0.1","287.76","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O2 S -","- C39 H38 N2 O2 S -","- C156 H152 N8 O8 S4 -","4","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.1018","0.0596","","","0.1433","0.1841","","","","","","0.942","","","","has coordinates","200539","2020-10-21","18:00:00",""
"1547031","9.4795","0.001","11.0883","0.0012","13.0819","0.0014","91.695","0.002","97.717","0.002","104.408","0.002","1316.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O2 S -","- C31 H30 N2 O2 S -","- C62 H60 N4 O4 S2 -","2","1","","Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin","Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.","Organic letters","2017","19","17","4600","4603","10.1021/acs.orglett.7b02203","","","0.71073","MoKα","","0.0709","0.0595","","","0.1419","0.1506","","","","","","1.006","","","","has coordinates","200540","2020-10-21","18:00:00",""
"1547032","5.6185","0.0006","22.7525","0.0018","10.3579","0.0007","90","","99.399","0.008","90","","1306.3","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Lv, Ningning; Liu, Yue; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong","Cobalt-Catalyzed Oxidant-Free Spirocycle Synthesis by Liberation of Hydrogen.","Organic letters","2017","19","17","4640","4643","10.1021/acs.orglett.7b02266","","","0.71073","MoKα","","0.1127","0.071","","","0.1713","0.2065","","","","","","1.031","","","","has coordinates","200541","2020-10-21","18:00:00",""
"1547033","14.4398","0.0005","8.7058","0.0003","23.2532","0.0007","90","","90","","90","","2923.16","0.17","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 O4 -","- C16 H21 O4 -","- C128 H168 O32 -","8","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","1.54178","CuKα","","0.0413","0.0391","","","0.1191","0.1223","","","","","","0.984","","","","has coordinates","200542","2020-10-21","18:00:00",""
"1547034","8.4594","0.0019","9.84","0.002","17.995","0.003","90","","94.074","0.019","90","","1494.1","0.5","271","13","271","13","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.199","0.0744","","","0.1026","0.1475","","","","","","0.978","","","","has coordinates","200543","2020-10-21","18:00:00",""
"1547035","10.7343","0.0009","13.3055","0.0008","11.7856","0.0011","90","","114.177","0.01","90","","1535.6","0.2","292.53","0.1","292.53","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.1323","0.0616","","","0.1209","0.1612","","","","","","1.003","","","","has coordinates,has disorder","200544","2020-10-21","18:00:00",""
"1547036","12.6657","0.0005","13.8437","0.0007","19.3886","0.0009","101.972","0.004","99.482","0.004","91.091","0.004","3275.2","0.3","292.7","0.6","292.7","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C30 H49 N O6 S Si -","- C30 H49 N O6 S Si -","- C120 H196 N4 O24 S4 Si4 -","4","2","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","0.71073","MoKα","","0.1942","0.0889","","","0.2195","0.3035","","","","","","1.035","","","","has coordinates","200545","2020-10-21","18:00:00",""
"1547037","8.1649","0.0012","10.7552","0.0016","14.048","0.002","88.09","0.002","84.286","0.002","69.323","0.002","1148.4","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N4 O3 -","- C28 H22 N4 O3 -","- C56 H44 N8 O6 -","2","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, An-Xin","Iodine-Catalyzed Oxidative Coupling To Construct C-O Bonds for the Synthesis of 2,3-Dihydrooxepines.","Organic letters","2017","19","17","4584","4587","10.1021/acs.orglett.7b02182","","","0.71073","MoKα","","0.0523","0.0426","","","0.1297","0.144","","","","","","1.064","","","","has coordinates","200546","2020-10-21","18:00:00",""
"1547038","7.4273","0.0012","13.435","0.002","21.998","0.004","90","","90.029","0.003","90","","2195.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N4 O3 -","- C28 H20 N4 O3 -","- C112 H80 N16 O12 -","4","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Wu, Yan-Dong; Wu, An-Xin","Iodine-Catalyzed Oxidative Coupling To Construct C-O Bonds for the Synthesis of 2,3-Dihydrooxepines.","Organic letters","2017","19","17","4584","4587","10.1021/acs.orglett.7b02182","","","0.71073","MoKα","","0.0597","0.0408","","","0.1114","0.1314","","","","","","1.087","","","","has coordinates","200547","2020-10-21","18:00:00",""
"1547039","22.9505","0.0014","10.6788","0.0008","37.929","0.003","90","","95.625","0.017","90","","9251","1.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pillar[5]arene","C-allyl-monohydroxy-nonamethoxy-pillar[5]arene","","- C51.5 H61 O11.5 -","- C51.5 H61 O11.5 -","- C412 H488 O92 -","8","1","","Bojtár, Márton; Simon, András; Bombicz, Petra; Bitter, István","Expanding the Pillararene Chemistry: Synthesis and Application of a 10 + 1 Functionalized Pillar[5]arene.","Organic letters","2017","19","17","4528","4531","10.1021/acs.orglett.7b02092","","","0.71073","MoKα","","0.1722","0.086","","","0.2036","0.257","","","","","","1.044","","","","has coordinates","200548","2020-10-21","18:00:00",""
"1547040","12.121","0.007","20.805","0.012","19.049","0.011","90","","93.774","0.008","90","","4793","5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ge-Sumanene","Ge-Sumanene","","- C24 H24 Ge3 -","- C24 H24 Ge3 -","- C192 H192 Ge24 -","8","2","","Zhou, Dandan; Gao, Ya; Liu, Bingxin; Tan, Qitao; Xu, Bin","Synthesis of Silicon and Germanium-Containing Heterosumanenes via Rhodium-Catalyzed Cyclodehydrogenation of Silicon/Germanium-Hydrogen and Carbon-Hydrogen Bonds.","Organic letters","2017","19","17","4628","4631","10.1021/acs.orglett.7b02254","","","0.71073","MoKα","","0.1099","0.0494","","","0.1091","0.1355","","","","","","0.939","","","","has coordinates","200549","2020-10-21","18:00:00",""
"1547041","7.2277","0.0003","7.3744","0.0003","21.3606","0.0008","90","","90","","90","","1138.52","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0312","0.0297","","","0.0751","0.0761","","","","","","1.05","","","","has coordinates","200550","2020-10-21","18:00:00",""
"1547042","7.2604","0.0002","8.2772","0.0002","18.9206","0.0004","90","","90","","90","","1137.05","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0249","0.0234","","","0.057","0.0577","","","","","","1.057","","","","has coordinates","200551","2020-10-21","18:00:00",""
"1547043","7.3612","0.0009","7.4951","0.0009","11.3569","0.0013","90","","96.832","0.003","90","","622.14","0.13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0209","0.02","","","0.0509","0.0515","","","","","","1.046","","","","has coordinates","200552","2020-10-21","18:00:00",""
"1547044","8.1094","0.0002","8.6923","0.0002","33.1247","0.0007","90","","90","","90","","2334.94","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","1.54178","CuKα","K-L~3~","0.0501","0.0408","","","0.0944","0.0988","","","","","","1.015","","","","has coordinates","200553","2020-10-21","18:00:00",""
"1547045","7.3777","0.0005","7.4315","0.0005","20.1273","0.0014","90","","90","","90","","1103.53","0.13","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0401","0.0345","","","0.0733","0.0753","","","","","","1.095","","","","has coordinates","200554","2020-10-21","18:00:00",""
"1547046","7.4047","0.0004","8.7079","0.0005","11.7729","0.0006","90","","107.542","0.002","90","","723.81","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C24 H34 Cl4 N2 O6 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0264","0.026","","","0.0652","0.0655","","","","","","1.063","","","","has coordinates","200555","2020-10-21","18:00:00",""
"1547047","8.1621","0.0002","8.6928","0.0003","33.1313","0.001","90","","90","","90","","2350.72","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0324","0.0284","","","0.0625","0.0645","","","","","","1.019","","","","has coordinates","200556","2020-10-21","18:00:00",""
"1547048","7.4095","0.0007","7.4183","0.0007","20.1227","0.0018","90","","90","","90","","1106.06","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.036","0.0301","","","0.0629","0.0656","","","","","","1.06","","","","has coordinates","200557","2020-10-21","18:00:00",""
"1547049","7.2205","0.0006","7.3718","0.0005","21.3401","0.0015","90","","90","","90","","1135.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0296","0.0265","","","0.0604","0.062","","","","","","1.066","","","","has coordinates","200558","2020-10-21","18:00:00",""
"1547050","7.3539","0.0008","7.4949","0.0007","11.3571","0.0013","90","","96.835","0.003","90","","621.52","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl2 N O2 -","- C12 H15 Cl2 N O2 -","- C24 H30 Cl4 N2 O4 -","2","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0525","0.0532","","","","","","1.036","","","","has coordinates","200559","2020-10-21","18:00:00",""
"1547051","9.5408","0.0001","16.3122","0.0001","18.8674","0.0002","90","","90","","90","","2936.36","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O8 -","- C33 H42 O8 -","- C132 H168 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0452","0.0441","","","0.1301","0.1339","","","","","","1.051","","","","has coordinates","200560","2020-10-21","18:00:00",""
"1547052","9.434","0.0001","16.4028","0.0001","19.4128","0.0001","90","","90","","90","","3004.01","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 O8 -","- C33 H44 O8 -","- C132 H176 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0373","0.0369","","","0.1004","0.1009","","","","","","1.045","","","","has coordinates,has disorder","200561","2020-10-21","18:00:00",""
"1547053","25.2209","0.0013","7.4847","0.0004","17.0575","0.0009","90","","119.615","0.001","90","","2799.3","0.3","304","2","304","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C104 H144 N16 O40 -","8","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0373","0.0336","","","0.0913","0.0952","","","","","","1.027","","","","has coordinates","200562","2020-10-21","18:00:00",""
"1547054","24.608","0.007","7.147","0.002","12.285","0.004","90","","90","","90","","2160.6","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C88 H128 N16 O16 -","8","2","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.1098","0.0668","","","0.1537","0.1753","","","","","","1.016","","","","has coordinates","200563","2020-10-21","18:00:00",""
"1547055","7.536","0.0007","8.9321","0.0009","10.4173","0.001","103.152","0.001","95.411","0.001","90.804","0.001","679.32","0.11","305","2","305","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C26 H36 N4 O8 -","2","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0441","0.0416","","","0.1146","0.1173","","","","","","1.048","","","","has coordinates","200564","2020-10-21","18:00:00",""
"1547056","6.2449","0.0004","16.6852","0.0011","13.0222","0.0009","90","","92.659","0.001","90","","1355.42","0.16","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,5R*,6R*)-ethyl-5-methoxy-7,9-dioxobicyclo[4.2.1]nonane-1-carboxylate","","- C13 H18 O5 -","- C13 H18 O5 -","- C52 H72 O20 -","4","1","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.0449","0.0382","","","0.1016","0.1069","","","","","","1.038","","","","has coordinates,has disorder","200565","2020-10-21","18:00:00",""
"1547057","6.133","0.0019","10.094","0.003","20.181","0.006","90","","90","","90","","1249.3","0.7","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Mao, Runyu; Wu, Jie","N-Radical Initiated Aminosulfonylation of Unactivated C(sp(3))-H Bond through Insertion of Sulfur Dioxide.","Organic letters","2017","19","17","4472","4475","10.1021/acs.orglett.7b02010","","","0.71073","MoKα","","0.0453","0.0374","","","0.1071","0.1153","","","","","","1.115","","","","has coordinates","200566","2020-10-21","18:00:00",""
"1547058","12.3024","0.0012","11.6242","0.0012","18.662","0.002","90","","101.576","0.002","90","","2614.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl4 N2 O4 S -","- C24 H18 Cl4 N2 O4 S -","- C96 H72 Cl16 N8 O16 S4 -","4","1","","Meng, Jiang; Jia, Renmeng; Leng, Jiaying; Wen, Min; Yu, Xingxin; Deng, Wei-Ping","Carbon-Carbon Bond Formation by Reaction of Rhodium Azavinylcarbenes with Secondary Amides: Access to Indigo Analogues from Isatins.","Organic letters","2017","19","17","4520","4523","10.1021/acs.orglett.7b02096","","","0.71073","MoKα","","0.081","0.0572","","","0.1468","0.1636","","","","","","1.043","","","","has coordinates,has disorder","200567","2020-10-21","18:00:00",""
"1547059","6.5833","0.0014","9.956","0.002","24.64","0.005","90","","95.324","0.004","90","","1608","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","2","","Shi, Li-Min; Dong, Wu-Wei; Tao, Hai-Yan; Dong, Xiu-Qin; Wang, Chun-Jiang","Catalytic Asymmetric Desymmetrization of Cyclopentendiones via Diels-Alder Reaction of 3-Hydroxy-2-pyrones: Construction of Multifunctional Bridged Tricyclic Lactones.","Organic letters","2017","19","17","4532","4535","10.1021/acs.orglett.7b02107","","","0.71073","MoKα","","0.0552","0.0416","","","0.0879","0.0923","","","","","","0.985","","","","has coordinates","200568","2020-10-21","18:00:00",""
"1547060","5.2059","0.0009","10.5536","0.0018","16.861","0.003","99.88","0.002","95.519","0.002","92.866","0.002","906.3","0.3","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 Br O5 -","- C18 H23 Br O5 -","- C36 H46 Br2 O10 -","2","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.047","0.0388","","","0.0996","0.1037","","","","","","1.029","","","","has coordinates,has disorder","200569","2020-10-21","18:00:00",""
"1547061","12.2416","0.0009","15.1877","0.0011","7.6373","0.0006","90","","94.46","0.001","90","","1415.64","0.18","303","2","303","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0446","0.0364","","","0.0938","0.0998","","","","","","1.045","","","","has coordinates","200570","2020-10-21","18:00:00",""
"1547062","15.6419","0.0012","23.9707","0.0018","7.8208","0.0006","90","","90","","90","","2932.4","0.4","301","2","301","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline","An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy.","Organic letters","2017","19","17","4468","4471","10.1021/acs.orglett.7b01988","","","0.71073","MoKα","","0.0379","0.0304","","","0.0772","0.081","","","","","","1.043","","","","has coordinates,has disorder","200572","2020-10-21","18:00:00",""
"1547063","9.9278","0.0008","13.8213","0.0012","19.0453","0.0015","90","","90","","90","","2613.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N3 O4 -","- C32 H25 N3 O4 -","- C128 H100 N12 O16 -","4","1","","Mondal, Santigopal; Mukherjee, Subrata; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds.","Organic letters","2017","19","16","4367","4370","10.1021/acs.orglett.7b02085","","","1.54178","CuKα","","0.0339","0.0327","","","0.0834","0.0846","","","","","","1.017","","","","has coordinates","200573","2020-10-21","18:00:00",""
"1547064","24.334","0.005","13.557","0.003","27.189","0.005","90","","90.828","0.003","90","","8969","3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C102.5 H75.5 Cl12.75 N6 -","- C102.5 H75.5 Cl12.75 N6 -","- C410 H302 Cl51 N24 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","0.71075","MoKα","","0.2403","0.1257","","","0.2926","0.3692","","","","","","1.035","","","","has coordinates,has disorder","200575","2020-10-21","18:00:00",""
"1547065","12.217","0.004","20.357","0.005","22.761","0.006","74.897","0.011","85.716","0.014","85.813","0.013","5441","3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H138 N6 O6 -","- C132 H138 N6 O6 -","- C264 H276 N12 O12 -","2","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","0.71075","MoKα","","0.1942","0.1084","","","0.2325","0.2925","","","","","","1.044","","","","has coordinates,has disorder","200577","2020-10-21","18:00:00",""
"1547066","16.3119","","24.2584","","46.9151","","90","","93.504","","90","","18529.6","","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C213.35 H122.46 B3 Cl0.88 F60 N6 O7 -","- C213.348 H123.348 B3 Cl0.884 F60 N6 O7 -","- C853.392 H493.392 B12 Cl3.536 F240 N24 O28 -","4","1","","Kurata, Ryohei; Sakamaki, Daisuke; Uebe, Masashi; Kinoshita, Mariko; Iwanaga, Tetsuo; Matsumoto, Takashi; Ito, Akihiro","Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System.","Organic letters","2017","19","16","4371","4374","10.1021/acs.orglett.7b02088","","","1.54187","CuKα","","0.1252","0.1125","","","0.3116","0.3219","","","","","","1.073","","","","has coordinates,has disorder","200578","2020-10-21","18:00:00",""
"1547067","30.1441","0.0007","16.1678","0.0004","21.0618","0.0005","90","","121.245","0.0009","90","","8775.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 F6 N2 O6 Pd2 -","- C38 H40 F6 N2 O6 Pd2 -","- C304 H320 F48 N16 O48 Pd16 -","8","1","","Maraswami, Manikantha; Pankajakshan, Sreekumar; Chen, Gang; Loh, Teck-Peng","Palladium-Catalyzed Direct C-H Trifluoroethylation of Aromatic Amides.","Organic letters","2017","19","16","4223","4226","10.1021/acs.orglett.7b01859","","","0.71073","MoKα","","0.0772","0.0405","","","0.0847","0.1059","","","","","","1.038","","","","has coordinates,has disorder","200580","2020-10-21","18:00:00",""
"1547068","9.04","0.004","6.791","0.003","19.479","0.008","90","","95.016","0.006","90","","1191.2","0.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N O9 -","- C26 H25 N O9 -","- C52 H50 N2 O18 -","2","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.0549","0.0455","","","0.1146","0.1209","","","","","","1.056","","","","has coordinates,has disorder","200582","2020-10-21","18:00:00",""
"1547069","6.3428","0.0017","21.435","0.006","25.73","0.007","90","","90","","90","","3498.2","1.7","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl3 N2 O8 -","- C38 H35 Cl3 N2 O8 -","- C152 H140 Cl12 N8 O32 -","4","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.1265","0.0534","","","0.0884","0.111","","","","","","1.001","","","","has coordinates","200583","2020-10-21","18:00:00",""
"1547070","8.6027","0.0008","14.6659","0.0009","14.8286","0.0009","82.014","0.005","77.654","0.006","76.926","0.006","1772.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O3 S -","- C21 H14 N2 O3 S -","- C84 H56 N8 O12 S4 -","4","2","","Lan, Jianyong; Xie, Haisheng; Lu, Xiaoxia; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Co(II)-Catalyzed Regioselective Cross-Dehydrogenative Coupling of Aryl C-H Bonds with Carboxylic Acids.","Organic letters","2017","19","16","4279","4282","10.1021/acs.orglett.7b01942","","","1.54184","CuKα","","0.0939","0.0856","","","0.2585","0.2724","","","","","","1.055","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547071","12.7416","0.0004","15.7164","0.0003","16.1249","0.0005","90","","90.844","0.003","90","","3228.69","0.16","293","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C144 H152 I8 N16 -","8","2","","Zhu, Dao-Yong; Fang, Lei; Han, Hui; Wang, Yazhou; Xia, Ji-Bao","Reductive CO2 Fixation via Tandem C-C and C-N Bond Formation: Synthesis of Spiro-indolepyrrolidines.","Organic letters","2017","19","16","4259","4262","10.1021/acs.orglett.7b01906","","x-ray","1.54184","CuKα","","0.0776","0.058","","","0.1681","0.2101","","","","","","1.044","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547072","9.229","0.007","11.78","0.009","11.881","0.008","116.064","0.007","93.344","0.008","103.846","0.015","1106.6","1.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O3 -","- C29 H22 O3 -","- C58 H44 O6 -","2","1","","Sicignano, Marina; Dentoni Litta, Antonella; Schettini, Rosaria; De Riccardis, Francesco; Pierri, Giovanni; Tedesco, Consiglia; Izzo, Irene; Della Sala, Giorgio","Highly Diastereoselective Crown Ether Catalyzed Arylogous Michael Reaction of 3-Aryl Phthalides.","Organic letters","2017","19","16","4383","4386","10.1021/acs.orglett.7b02113","","","0.71073","MoKα","","0.108","0.0639","","","0.1482","0.1732","","","","","","0.991","","","","has coordinates","200588","2020-10-21","18:00:00",""
"1547073","11.5473","0.0019","11.75","0.002","18.402","0.003","78.259","0.009","74.402","0.008","88.332","0.01","2353.7","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","2","","Sicignano, Marina; Dentoni Litta, Antonella; Schettini, Rosaria; De Riccardis, Francesco; Pierri, Giovanni; Tedesco, Consiglia; Izzo, Irene; Della Sala, Giorgio","Highly Diastereoselective Crown Ether Catalyzed Arylogous Michael Reaction of 3-Aryl Phthalides.","Organic letters","2017","19","16","4383","4386","10.1021/acs.orglett.7b02113","","","0.71073","MoKα","","0.2038","0.0919","","","0.2173","0.2825","","","","","","0.955","","","","has coordinates","200588","2020-10-21","18:00:00",""
"1547074","37.0871","0.0009","18.9011","0.0004","13.1357","0.0003","90","","106.015","0.008","90","","8850.6","0.5","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 Br N2 O3 S -","- C21 H29 Br N2 O3 S -","- C336 H464 Br16 N32 O48 S16 -","16","2","","Abe, Takumi; Suzuki, Takuro; Anada, Masahiro; Matsunaga, Shigeki; Yamada, Koji","2-Hydroxyindoline-3-triethylammonium Bromide: A Reagent for Formal C3-Electrophilic Reactions of Indoles.","Organic letters","2017","19","16","4275","4278","10.1021/acs.orglett.7b01940","","","1.54187","CuKα","","0.0799","0.0618","","","0.1576","0.1673","","","","","","1.099","","","","has coordinates","200590","2020-10-21","18:00:00",""
"1547075","8.1638","0.0008","14.323","0.0011","13.4195","0.001","90","","107.745","0.009","90","","1494.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N.","Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes.","Organic letters","2017","19","16","4283","4286","10.1021/acs.orglett.7b01924","","","0.71073","MoKα","","0.1191","0.065","","","0.1647","0.2394","","","","","","1.076","","","","has coordinates","200592","2020-10-21","18:00:00",""
"1547076","12.9849","0.0003","18.5848","0.0006","26.1432","0.0007","90","","90","","90","","6308.9","0.3","123","","123","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C28 H54 B Fe N O2 P2 -","- C28 H54 B Fe N O2 P2 -","- C224 H432 B8 Fe8 N8 O16 P16 -","8","1","","Nakajima, Kazunari; Kato, Takeru; Nishibayashi, Yoshiaki","Hydroboration of Alkynes Catalyzed by Pyrrolide-Based PNP Pincer-Iron Complexes.","Organic letters","2017","19","16","4323","4326","10.1021/acs.orglett.7b01995","","","0.71075","MoKα","","0.1209","0.066","","","0.1408","0.152","","","","","","1","","","","has coordinates","200594","2020-10-21","18:00:00",""
"1547077","11.7456","0.0004","16.9831","0.0006","12.0924","0.0004","90","","94.193","0.001","90","","2405.7","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C120 H96 O24 -","4","2","","Zhang, Lan-Jun; Bi, De-Wen; Hu, Jiangmiao; Mu, Wei-Hua; Li, Yuan-Ping; Xia, Guang-Hui; Yang, Liu; Li, Xiao-Nian; Liang, Xue-Song; Wang, Li-Qin","Four Hybrid Flavan-Chalcones, Caesalpinnone A Possessing a 10,11-Dioxatricyclic [5.3.3.0(1,6)]Tridecane-Bridged System and Caesalpinflavans A-C from Caesalpinia enneaphylla.","Organic letters","2017","19","16","4315","4318","10.1021/acs.orglett.7b01955","","","1.54178","CuKα","","0.0625","0.0619","","","0.1571","0.1591","","","","","","1.047","","","","has coordinates","200595","2020-10-21","18:00:00",""
"1547078","9.098","0.002","12.686","0.003","12.465","0.003","90","","104.57","0.003","90","","1392.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Geng, Xiao; Wu, Xia; Zhao, Peng; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","Synergistic I2/Amine Promoted Povarov-Type Reaction for the Synthesis of 2-Acyl-3-aryl(alkyl)quinolines Using Aryl(alkyl)acetaldehydes as Alkene Surrogates.","Organic letters","2017","19","16","4179","4182","10.1021/acs.orglett.7b01686","","","0.71073","MoKα","","0.0518","0.042","","","0.114","0.1237","","","","","","1.034","","","","has coordinates","200596","2020-10-21","18:00:00",""
"1547079","5.6401","0.0007","15.5044","0.0018","23.257","0.003","90","","90","","90","","2033.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AEW-II-133","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Li, Kangnan; Weber, Alexandria E.; Tseng, Luke; Malcolmson, Steven J.","Diastereoselective and Enantiospecific Synthesis of 1,3-Diamines via 2-Azaallyl Anion Benzylic Ring-Opening of Aziridines.","Organic letters","2017","19","16","4239","4242","10.1021/acs.orglett.7b01886","","","0.71073","MoKα","","0.0455","0.0381","","","0.0945","0.0988","","","","","","1.044","","","","has coordinates","200597","2020-10-21","18:00:00",""
"1547080","11.401","0.003","9.001","0.002","17.228","0.005","90","","100.234","0.007","90","","1739.8","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","","Lvov, Andrey G.; Milevsky, Nikita A.; Yanina, Anna M.; Kachala, Vadim V.; Shirinian, Valerii Z.","Aerobic Dimerization of Ethyl 4-Thienyl-3-ketobutanoate toward a Modifiable Photochromic Diarylethene Precursor.","Organic letters","2017","19","16","4395","4398","10.1021/acs.orglett.7b02143","","","0.71073","MoKα","","0.0928","0.0599","","","0.1459","0.1641","","","","","","1.041","","","","has coordinates","200598","2020-10-21","18:00:00",""
"1547081","8.8973","0.0005","10.3854","0.0006","10.5682","0.0005","113.149","0.002","92.819","0.002","112.907","0.002","803.17","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","2","","Bernar, Ivan; Fiser, Béla; Blanco-Ania, Daniel; Gómez-Bengoa, Enrique; Rutjes, Floris P. J. T.","Pd-Catalyzed Hydroamination of Alkoxyallenes with Azole Heterocycles: Examples and Mechanistic Proposal.","Organic letters","2017","19","16","4211","4214","10.1021/acs.orglett.7b01826","","","0.71073","MoKα","","0.0476","0.0429","","","0.1156","0.12","","","","","","1.027","","","","has coordinates","200599","2020-10-21","18:00:00",""
"1547082","7.529","0.0005","8.7083","0.0006","29.448","0.002","90","","90","","90","","1930.8","0.2","291","0.2","291","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C96 H84 Cl4 N8 O4 -","4","1","","Wang, Kezhou; Wang, Linqing; Liu, Xihong; Li, Dan; Zhu, Haiyong; Wang, Pengxin; Liu, Yuyang; Yang, Dongxu; Wang, Rui","Development of Biligands Magnesium Catalysis in Asymmetric Conjugate Reactions of C3-Pyrrolyl-Oxindoles.","Organic letters","2017","19","16","4351","4354","10.1021/acs.orglett.7b02044","","","0.71073","MoKα","","0.0757","0.05","","","0.1015","0.1187","","","","","","1.047","","","","has coordinates","200600","2020-10-21","18:00:00",""
"1547083","5.5929","0.0003","11.3901","0.0003","22.1102","0.0004","90","","93.835","0.003","90","","1405.35","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Shi, Pengfei; Wang, Lili; Guo, Shan; Chen, Kehao; Wang, Jie; Zhu, Jin","A C-H Activation-Based Strategy for N-Amino Azaheterocycle Synthesis.","Organic letters","2017","19","16","4359","4362","10.1021/acs.orglett.7b02066","","","1.54178","CuKα","","0.041","0.0389","","","0.1001","0.102","","","","","","1.035","","","","has coordinates","200601","2020-10-21","18:00:00",""
"1547084","7.8773","0.0003","7.9192","0.0003","10.3429","0.0003","87.686","0.001","89.889","0.001","85.028","0.001","642.26","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F3 N2 O2 -","- C13 H13 F3 N2 O2 -","- C26 H26 F6 N4 O4 -","2","1","","Shi, Pengfei; Wang, Lili; Guo, Shan; Chen, Kehao; Wang, Jie; Zhu, Jin","A C-H Activation-Based Strategy for N-Amino Azaheterocycle Synthesis.","Organic letters","2017","19","16","4359","4362","10.1021/acs.orglett.7b02066","","","1.54178","CuKα","","0.0664","0.065","","","0.1708","0.1718","","","","","","1.069","","","","has coordinates","200602","2020-10-21","18:00:00",""
"1547085","20.8","0.005","13.066","0.003","16.207","0.004","90","","90","","90","","4404.6","1.8","173.15","","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H50 N2 O4 Si -","- C52 H50 N2 O4 Si -","- C208 H200 N8 O16 Si4 -","4","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.710747","MoKα","","0.1085","0.094","","","0.2299","0.2407","","","","","","1.105","","","","has coordinates,has disorder","200603","2020-10-21","18:00:00",""
"1547086","28.533","0.008","6.3805","0.0018","21.155","0.006","90","","99.386","0.004","90","","3799.8","1.9","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 F14 N2 O4 Si2 -","- C40 H28 F14 N2 O4 Si2 -","- C160 H112 F56 N8 O16 Si8 -","4","0.5","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71075","MoKα","","0.0655","0.0601","","","0.1409","0.1447","","","","","","1.112","","","","has coordinates","200604","2020-10-21","18:00:00",""
"1547087","16.491","0.011","16.508","0.011","13.19","0.009","90","","102.583","0.013","90","","3505","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F14 N2 O4 Si -","- C36 H20 F14 N2 O4 Si -","- C144 H80 F56 N8 O16 Si4 -","4","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71073","MoKα","","0.1609","0.1319","","","0.2287","0.2451","","","","","","1.23","","","","has coordinates","200605","2020-10-21","18:00:00",""
"1547088","12.123","0.002","15.118","0.003","18.055","0.004","67.88","0.03","82.56","0.03","70.67","0.03","2892.6","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 N2 O4 Si2 -","- C70 H74 N2 O4 Si2 -","- C140 H148 N4 O8 Si4 -","2","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.71073","MoKα","","0.1139","0.0959","","","0.2188","0.2309","","","","","","1.171","","","","has coordinates,has disorder","200606","2020-10-21","18:00:00",""
"1547089","5.8603","0.0002","8.7507","0.0003","19.9834","0.0006","95.115","0.002","90.454","0.002","97.456","0.002","1011.87","0.06","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H25 N3 O7 S -","- C19 H25 N3 O7 S -","- C38 H50 N6 O14 S2 -","2","2","","Prasad, Sure Siva; Senthilkumar, Soundararasu; Srivastava, Akriti; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycosides and Divergent Synthesis of Bicyclic Iminosugars.","Organic letters","2017","19","16","4403","4406","10.1021/acs.orglett.7b02175","","","0.71073","MoKα","","0.0412","0.0377","","","0.0948","0.0976","","","","","","1.048","","","","has coordinates,has disorder","200607","2020-10-21","18:00:00",""
"1547090","6.761","0.0015","7.2814","0.0016","13.336","0.003","78.215","0.008","85.488","0.008","72.757","0.007","613.7","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H10 Br Mn N2 O3 -","- C10 H10 Br Mn N2 O3 -","- C20 H20 Br2 Mn2 N4 O6 -","2","1","","Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste","Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst.","Organic letters","2017","19","13","3656","3659","10.1021/acs.orglett.7b01657","","x-ray","0.71073","MoKα","","0.0449","0.0398","","","0.1038","0.1066","","","","","","1.059","","","","has coordinates","200608","2020-10-21","18:00:00",""
"1547091","12.2212","0.0012","13.1633","0.0013","12.165","0.0011","90","","89.91","0.005","90","","1957","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","3-alkylated indole","(S)-2-(2-methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","2","","Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman","Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.","Organic letters","2017","19","13","3426","3429","10.1021/acs.orglett.7b01383","","","0.71073","MoKα","","0.1198","0.0613","","","0.1561","0.2207","","","","","","1.078","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547092","6.5332","0.0016","8.086","0.002","44.285","0.011","90","","90","","90","","2339.5","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br O7 -","- C25 H25 Br O7 -","- C100 H100 Br4 O28 -","4","1","","Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang","Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.","Organic letters","2017","19","13","3516","3519","10.1021/acs.orglett.7b01486","","","0.71073","MoKα","","0.1343","0.0615","","","0.1176","0.1413","","","","","","1.004","","","","has coordinates","200610","2020-10-21","18:00:00",""
"1547093","7.5","0.007","10.984","0.01","12.966","0.012","79.535","0.012","87.356","0.011","75.611","0.01","1017.4","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H22 N2 O7 -","- C21 H22 N2 O7 -","- C42 H44 N4 O14 -","2","2","","Read, Jacquelyne A.; Yang, Yingying; Woerpel, K. A.","Additions of Organomagnesium Halides to α-Alkoxy Ketones: Revision of the Chelation-Control Model.","Organic letters","2017","19","13","3346","3349","10.1021/acs.orglett.7b01161","","","0.71073","MoKα","","0.1368","0.0722","","","0.1502","0.1833","","","","","","1.016","","","","has coordinates","200611","2020-10-21","18:00:00",""
"1547094","7.2437","0.0012","15.956","0.003","15.979","0.003","93.5","0.004","95.99","0.004","100.034","0.004","1802.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 B N O5 Si -","- C36 H48 B N O5 Si -","- C72 H96 B2 N2 O10 Si2 -","2","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.1802","0.1021","","","0.2993","0.3626","","","","","","1.065","","","","has coordinates,has disorder","200612","2020-10-21","18:00:00",""
"1547095","10.89","0.003","12.636","0.003","8.646","0.002","90","","94.343","0.003","90","","1186.3","0.5","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi","Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide.","Organic letters","2017","19","13","3422","3425","10.1021/acs.orglett.7b01378","","","0.71075","MoKα","","0.0247","0.0209","","","0.0574","0.0586","","","","","","1.089","","","","has coordinates","200613","2020-10-21","18:00:00",""
"1547096","20.109","","20.109","","9.5683","0.0006","90","","90","","90","","3869.2","0.2","293","2","293.15","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","","","Li, Xuanxuan; Fang, Xinxin; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Photoredox Catalysis: Construction of Polyheterocycles via Alkoxycarbonylation/Addition/Cyclization Sequence.","Organic letters","2017","19","13","3580","3583","10.1021/acs.orglett.7b01553","","","1.54184","CuKα","","0.0552","0.0492","","","0.1486","0.1549","","","","","","1.041","","","","has coordinates","200614","2020-10-21","18:00:00",""
"1547097","12.241","0.004","5.7694","0.0018","18.543","0.006","90","","101.136","0.008","90","","1284.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Chaudhari, Moreshwar B.; Sutar, Yogesh; Malpathak, Shreyas; Hazra, Anirban; Gnanaprakasam, Boopathy","Transition-Metal-Free C-H Hydroxylation of Carbonyl Compounds.","Organic letters","2017","19","13","3628","3631","10.1021/acs.orglett.7b01616","","","0.71073","MoKα","","0.1276","0.1097","","","0.382","0.3919","","","","","","1.175","","","","has coordinates","200615","2020-10-21","18:00:00",""
"1547098","27.948","0.003","10.781","0.0012","21.83","0.002","90","","124.025","0.001","90","","5451.4","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H25 F3 N2 O2 -","- C32 H25 F3 N2 O2 -","- C256 H200 F24 N16 O16 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0889","0.0616","","","0.1727","0.1963","","","","","","1.066","","","","has coordinates","200616","2020-10-21","18:00:00",""
"1547099","11.6546","0.0013","6.183","0.0005","23.033","0.003","90","","100.63","0.006","90","","1631.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PD-VII-249","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.","Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.","Organic letters","2017","19","13","3490","3493","10.1021/acs.orglett.7b01471","","","0.71073","MoKα","","0.0719","0.0569","","","0.1557","0.1676","","","","","","1.044","","","","has coordinates","200617","2020-10-21","18:00:00",""
"1547100","16.0693","0.0016","54.037","0.005","10.9426","0.0011","90","","90","","90","","9501.9","1.6","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H30 N2 O4 S -","- C25 H30 N2 O4 S -","- C400 H480 N32 O64 S16 -","16","1","","Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing","Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.","Organic letters","2017","19","13","3620","3623","10.1021/acs.orglett.7b01609","","","0.71073","MoKα","","0.0358","0.032","","","0.0831","0.086","","","","","","1.043","","","","has coordinates","200619","2020-10-21","18:00:00",""
"1547101","6.1106","0.0004","9.3146","0.0006","18.416","0.0011","90","","90","","90","","1048.2","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C44 H44 Cl4 O12 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0413","0.04","","","0.1118","0.113","","","","","","1.301","","","","has coordinates","200620","2020-10-21","18:00:00",""
"1547102","9.8874","0.001","11.4556","0.0012","37.795","0.004","90","","90","","90","","4280.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B I N O5 -","- C19 H27 B I N O5 -","- C152 H216 B8 I8 N8 O40 -","8","2","","Chen, Lili; Zou, Xiaoliang; Zhao, Haonan; Xu, Senmiao","Copper-Catalyzed Asymmetric Protoboration of β-Amidoacrylonitriles and β-Amidoacrylate Esters: An Efficient Approach to Functionalized Chiral α-Amino Boronate Esters.","Organic letters","2017","19","13","3676","3679","10.1021/acs.orglett.7b01740","","","0.71073","MoKα","","0.0447","0.0428","","","0.1063","0.1076","","","","","","1.038","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547103","7.742","0.0002","10.5041","0.0003","11.1422","0.0003","97.83","0.002","94.56","0.002","103.792","0.002","865.86","0.04","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 B N3 O2 -","- C18 H24 B N3 O2 -","- C36 H48 B2 N6 O4 -","2","1","","Allen, Thomas H.; Kawamoto, Takuji; Gardner, Sean; Geib, Steven J.; Curran, Dennis P.","N-Heterocyclic Carbene Boryl Iodides Catalyze Insertion Reactions of N-Heterocyclic Carbene Boranes and Diazoesters.","Organic letters","2017","19","13","3680","3683","10.1021/acs.orglett.7b01777","","","1.54178","CuKα","","0.0445","0.0407","","","0.1376","0.1418","","","","","","1.721","","","","has coordinates","200622","2020-10-21","18:00:00",""
"1547104","18.6435","0.0007","6.1999","0.0002","15.8122","0.0006","90","","90.137","0.003","90","","1827.69","0.11","290.64","0.1","290.64","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H26 Cl O3.5 -","- C19 H26 Cl O3.5 -","- C76 H104 Cl4 O14 -","4","1","","Luo, Weiwei; Lin, Lili; Zhang, Yu; Liu, Xiaohua; Feng, Xiaoming","Construction of Distant Stereocenters by Enantioselective Desymmetrizing Carbonyl-Ene Reaction.","Organic letters","2017","19","13","3374","3377","10.1021/acs.orglett.7b01329","","x-ray","1.54184","CuKα","","0.06","0.0572","","","0.1533","0.1587","","","","","","1.074","","","","has coordinates","200623","2020-10-21","18:00:00",""
"1547105","9.3681","0.0003","9.682","0.0003","23.6969","0.0007","90","","90","","90","","2149.35","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C96 H104 N8 O8 S4 -","4","1","","Tian, Hua; Zhang, Pengxiang; Peng, Fei; Yang, Haijun; Fu, Hua","Chiral Cyclic Ligand-Enabled Iridium-Catalyzed Asymmetric Arylation of Unactivated Racemic Allylic Alcohols with Anilines.","Organic letters","2017","19","14","3775","3778","10.1021/acs.orglett.7b01631","","","1.54178","CuKα","","0.0326","0.0303","","","0.0785","0.0797","","","","","","1.066","","","","has coordinates","200624","2020-10-21","18:00:00",""
"1547106","10.796","","11.834","","19.55","","90","","97.95","","90","","2473.7","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S2 -","- C26 H25 N O5 S2 -","- C104 H100 N4 O20 S8 -","4","1","","Sun, Jiaqiong; Zheng, Guangfan; Zhang, Qiao; Wang, Yimin; Yang, Shengbiao; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Imidovinylation of Alkynes via 1,3-Vinyl Migration.","Organic letters","2017","19","14","3767","3770","10.1021/acs.orglett.7b01599","","","0.71073","MoKα","","0.0724","0.0497","","","0.1285","0.1439","","","","","","0.876","","","","has coordinates","200625","2020-10-21","18:00:00",""
"1547107","7.805","0.0003","11.0195","0.0004","21.568","0.0007","90","","93.907","0.001","90","","1850.69","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin","Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","14","3935","3938","10.1021/acs.orglett.7b01863","","","1.54178","CuKα","","0.0363","0.0349","","","0.0976","0.099","","","","","","1.046","","","","has coordinates","200626","2020-10-21","18:00:00",""
"1547108","8.6611","0.0005","11.0315","0.0006","24.1732","0.0012","90","","98.964","0.005","90","","2281.4","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 O5 S2 -","- C23 H22 N4 O5 S2 -","- C92 H88 N16 O20 S8 -","4","1","","Zheng, Xuchun; Wan, Yanjun; Ling, Fei; Ma, Cheng","Copper-Catalyzed Tandem Reaction of Terminal Alkynes and Sulfonyl Azides for the Assembly of Substituted Aminotriazoles.","Organic letters","2017","19","14","3859","3862","10.1021/acs.orglett.7b01729","","","0.71073","MoKα","","0.0754","0.0501","","","0.1192","0.1375","","","","","","1.014","","","","has coordinates","200627","2020-10-21","18:00:00",""
"1547109","9.7392","0.0008","10.1552","0.0008","10.2805","0.0008","100.715","0.007","102.225","0.007","114.844","0.008","857.35","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C34 H36 N8 O4 S2 -","2","1","","Zheng, Xuchun; Wan, Yanjun; Ling, Fei; Ma, Cheng","Copper-Catalyzed Tandem Reaction of Terminal Alkynes and Sulfonyl Azides for the Assembly of Substituted Aminotriazoles.","Organic letters","2017","19","14","3859","3862","10.1021/acs.orglett.7b01729","","","0.71073","MoKα","","0.0883","0.0585","","","0.1417","0.169","","","","","","1.033","","","","has coordinates","200627","2020-10-21","18:00:00",""
"1547110","10.3276","0.0003","8.421","0.0003","13.1353","0.0004","90","","95.4153","0.0015","90","","1137.26","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O5 -","- C23 H31 N O5 -","- C46 H62 N2 O10 -","2","1","","Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.","Organic letters","2017","19","14","3843","3846","10.1021/acs.orglett.7b01721","","","0.71073","MoKα","","0.0586","0.0433","","","0.0982","0.1074","","","","","","1.048","","","","has coordinates","200628","2020-10-21","18:00:00",""
"1547111","9.9071","0.0004","12.2529","0.0005","13.6988","0.0006","98.655","0.001","110.948","0.001","98.93","0.001","1495.45","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 Br N2 O4 -","- C34 H31 Br N2 O4 -","- C68 H62 Br2 N4 O8 -","2","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0543","0.0367","","","0.0799","0.0907","","","","","","1.04","","","","has coordinates","200629","2020-10-21","18:00:00",""
"1547112","12.1984","0.0004","10.6577","0.0004","23.0168","0.0008","90","","102.007","0.001","90","","2926.88","0.18","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H31 Br N2 O4 -","- C34 H31 Br N2 O4 -","- C136 H124 Br4 N8 O16 -","4","1","","Kang, Zhenghui; Zhang, Dan; Hu, Wenhao","Regio- and Diastereoselective Three-Component Reactions via Trapping of Ammonium Ylides with N-Alkylquinolinium Salts: Synthesis of Multisubstituted Tetra- and Dihydroquinoline Derivatives.","Organic letters","2017","19","14","3783","3786","10.1021/acs.orglett.7b01664","","","0.71073","MoKα","","0.0611","0.0427","","","0.104","0.1147","","","","","","1.029","","","","has coordinates","200630","2020-10-21","18:00:00",""
"1547113","11.9227","0.0017","12.587","0.002","17.743","0.002","104.756","0.004","102.056","0.004","106.028","0.004","2360.5","0.6","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 O20 -","- C50 H60 O20 -","- C100 H120 O40 -","2","1","","Zafrani, Yossi; Cohen, Yoram","Calix[4, 5]tetrolarenes: A New Family of Macrocycles.","Organic letters","2017","19","14","3719","3722","10.1021/acs.orglett.7b01511","","","0.71073","MoKα","","0.1164","0.0679","","","0.1661","0.1942","","","","","","1.03","","","","has coordinates","200631","2020-10-21","18:00:00",""
"1547114","12.1454","0.0005","7.1266","0.0002","15.9769","0.0006","90","","97.206","0.003","90","","1371.96","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(indolin-1-yl)-2-methyl-4-phenyloxazole","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Di Mauro, Giovanni; Maryasin, Boris; Kaiser, Daniel; Shaaban, Saad; González, Leticia; Maulide, Nuno","Mechanistic Pathways in Amide Activation: Flexible Synthesis of Oxazoles and Imidazoles.","Organic letters","2017","19","14","3815","3818","10.1021/acs.orglett.7b01678","","x-ray","1.54178","CuKα","","0.0515","0.0385","","","0.087","0.0923","","","","","","1.024","","","","has coordinates","200632","2020-10-21","18:00:00",""
"1547115","8.2009","0.0004","17.7433","0.0007","18.2546","0.0007","90","","90","","90","","2656.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","","Wang, Li; Yang, Jing; Kong, Ling-Mei; Deng, Jun; Xiong, Zijun; Huang, Jianping; Luo, Jianying; Yan, Yijun; Hu, Yikao; Li, Xiao-Nian; Li, Yan; Zhao, Yong; Huang, Sheng-Xiong","Natural and Semisynthetic Tigliane Diterpenoids with New Carbon Skeletons from Euphorbia dracunculoides as a Wnt Signaling Pathway Inhibitor.","Organic letters","2017","19","14","3911","3914","10.1021/acs.orglett.7b01813","","","1.54178","CuKα","","0.165","0.1305","","","0.3415","0.388","","","","","","1.426","","","","has coordinates","200633","2020-10-21","18:00:00",""
"1547116","9.1962","0.0005","10.3604","0.0006","10.8251","0.0006","66.281","0.002","78.926","0.002","66.979","0.002","868.32","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem134_0m_a","","","- C19 H20 Cl N3 O -","- C19 H20 Cl N3 O -","- C38 H40 Cl2 N6 O2 -","2","1","","Mondal, Susmita; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda","Aminomethylation of Imidazoheterocycles with Morpholine.","Organic letters","2017","19","14","3751","3754","10.1021/acs.orglett.7b01594","","","0.71073","MoKα","","0.0769","0.0583","","","0.1658","0.1969","","","","","","1.181","","","","has coordinates","200634","2020-10-21","18:00:00",""
"1547117","7.7258","0.0006","26.4404","0.0019","15.2454","0.0012","90","","95.607","0.002","90","","3099.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Br Co F6 N O Sb -","- C31 H35 Br Co F6 N2 O Sb -","- C124 H140 Br4 Co4 F24 N8 O4 Sb4 -","4","1","","Sen, Malay; Dahiya, Pardeep; Premkumar, J. Richard; Sundararaju, Basker","Dehydrative Cp*Co(III)-Catalyzed C-H Bond Allenylation.","Organic letters","2017","19","14","3699","3702","10.1021/acs.orglett.7b01415","","","0.71073","MoKα","","0.0617","0.0431","","","0.098","0.1044","","","","","","1.064","","","","has coordinates","200635","2020-10-21","18:00:00",""
"1547118","9.6628","0.0017","18.241","0.003","11.829","0.002","90","","90","","90","","2085","0.6","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H21 N2 O3 -","- C25 H21 N2 O3 -","- C100 H84 N8 O12 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.085","0.0647","","","0.1616","0.1762","","","","","","1.038","","","","has coordinates","200636","2020-10-21","18:00:00",""
"1547119","7.9901","0.0013","9.9985","0.0016","16.101","0.003","101.591","0.003","98.611","0.003","107.446","0.003","1171.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","2","","Chen, Renjie; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Benzamides and Diazonaphthalen-2(1H)-ones for Synthesis of Lactones.","Organic letters","2017","19","15","4002","4005","10.1021/acs.orglett.7b01728","","","0.71073","MoKα","","0.0968","0.059","","","0.1513","0.1723","","","","","","1.043","","","","has coordinates","200637","2020-10-21","18:00:00",""
"1547120","25.0398","0.0015","10.8136","0.0005","18.7266","0.0012","90","","104.572","0.002","90","","4907.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C216 H264 N8 O40 -","8","1","","Liao, Jia-Yu; Ni, Qijian; Zhao, Yu","Catalyst-Enabled Scaffold Diversity: Highly Chemo- and Stereoselective Synthesis of Tricyclic Ketals and Triarylmethanes.","Organic letters","2017","19","15","4074","4077","10.1021/acs.orglett.7b01851","","","0.71073","MoKα","","0.0821","0.0539","","","0.1255","0.1431","","","","","","1.017","","","","has coordinates","200638","2020-10-21","18:00:00",""
"1547121","7.882","0.0002","9.3288","0.0002","11.9801","0.0008","90","","105.794","0.007","90","","847.64","0.07","85","2","85","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.","Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.","Organic letters","2017","19","15","3958","3961","10.1021/acs.orglett.7b01622","","","1.54178","CuKα","","0.0425","0.0417","","","0.1023","0.1034","","","","","","1.065","","","","has coordinates","200639","2020-10-21","18:00:00",""
"1547122","11.4016","0.0011","7.4909","0.0008","21.112","0.002","90","","93.186","0.003","90","","1800.4","0.3","298","2","298.12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Liu, Shuang-Liang; Li, Yang; Guo, Jun-Ru; Yang, Guang-Chao; Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","An Approach to 3-(Indol-2-yl)succinimide Derivatives by Manganese-Catalyzed C-H Activation.","Organic letters","2017","19","15","4042","4045","10.1021/acs.orglett.7b01795","","","0.71073","MoKα","","0.0577","0.0412","","","0.1022","0.1113","","","","","","1.055","","","","has coordinates","200640","2020-10-21","18:00:00",""
"1547123","9.0918","0.0015","12.255","0.002","12.832","0.002","74.988","0.003","88.662","0.003","88.721","0.003","1380.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O4 S -","- C30 H32 N2 O4 S -","- C60 H64 N4 O8 S2 -","2","1","","Li, Tian-Ren; Lu, Liang-Qiu; Wang, Ya-Ni; Wang, Bao-Cheng; Xiao, Wen-Jing","Divergent Synthesis of Polycyclic Indolines: Copper-Catalyzed Cascade Reactions of Propargylic Carbamates and Indoles.","Organic letters","2017","19","15","4098","4101","10.1021/acs.orglett.7b01903","","","0.71073","MoKα","","0.0881","0.064","","","0.1948","0.2261","","","","","","1.031","","","","has coordinates","200641","2020-10-21","18:00:00",""
"1547124","7.7055","0.0006","25.8797","0.0014","13.0746","0.0011","90","","107.697","0.007","90","","2483.9","0.3","170.1","","170.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Br2 N O -","- C32 H23 Br2 N O -","- C128 H92 Br8 N4 O4 -","4","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","BF3-Promoted Divergent Reactions between Tryptophols and Propargylic Alcohols.","Organic letters","2017","19","15","4114","4117","10.1021/acs.orglett.7b01769","","","0.71073","MoKα","","0.0635","0.0428","","","0.088","0.0963","","","","","","1.031","","","","has coordinates","200642","2020-10-21","18:00:00",""
"1547125","7.2089","0.0018","8.081","0.002","20.594","0.006","81.103","0.009","84.522","0.012","84.478","0.011","1175.8","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H26 N4 O5 -","- C26 H26 N4 O5 -","- C52 H52 N8 O10 -","2","2","","Kadam, Abhishek A.; Ellern, Arkady; Stanley, Levi M.","Enantioselective, Palladium-Catalyzed Conjugate Additions of Arylboronic Acids to Form Bis-benzylic Quaternary Stereocenters.","Organic letters","2017","19","15","4062","4065","10.1021/acs.orglett.7b01825","","","1.54178","CuKα","","0.0399","0.034","","","0.0889","0.0927","","","","","","1.038","","","","has coordinates","200643","2020-10-21","18:00:00",""
"1547126","11.603","0.0007","7.704","0.0007","16.6899","0.0011","90","","95.102","0.006","90","","1485.99","0.19","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C72 H60 Cl4 N8 O4 -","4","1","","Li, Bo; Fang, Sheng-Long; Huang, Dan-Ying; Shi, Bing-Feng","Ru-Catalyzed Meta-C-H Benzylation of Arenes with Toluene Derivatives.","Organic letters","2017","19","15","3950","3953","10.1021/acs.orglett.7b01529","","","0.71073","MoKα","","0.0633","0.0459","","","0.111","0.1262","","","","","","1.051","","","","has coordinates","200644","2020-10-21","18:00:00",""
"1547127","14.396","0.002","14.396","0.002","68.44","0.009","90","","90","","90","","14184","3","100","","100","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C64 H41 F12 N7 O10 -","- C64 H37 F12 N7 O10 -","- C512 H296 F96 N56 O80 -","8","1","","Ema, Tadashi; Yokoyama, Maki; Watanabe, Sagiri; Sasaki, Sota; Ota, Hiromi; Takaishi, Kazuto","Chiral Macrocyclic Organocatalysts for Kinetic Resolution of Disubstituted Epoxides with Carbon Dioxide.","Organic letters","2017","19","15","4070","4073","10.1021/acs.orglett.7b01838","","","0.71075","MoKα","","0.1606","0.1474","","","0.3265","0.3382","","","","","","1.17","","","","has coordinates","200645","2020-10-21","18:00:00",""
"1547128","25.998","0.002","12.1491","0.0011","11.3547","0.0011","90","","103.78","0.005","90","","3483.2","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N O6.5 -","- C17 H24 N O6.5 -","- C136 H192 N8 O52 -","8","2","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0679","0.0625","","","0.1614","0.1682","","","","","","1.116","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547129","9.535","0.0003","7.4498","0.0002","14.7161","0.0004","90","","103.488","0.001","90","","1016.51","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O8 -","- C18 H29 N O8 -","- C36 H58 N2 O16 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0317","0.0315","","","0.0816","0.0817","","","","","","1.04","","","","has coordinates","201749","2020-10-21","18:00:00",""
"1547130","13.366","0.003","15.726","0.003","11.497","0.002","90","","110.678","0.003","90","","2260.9","0.8","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br N2 O2 S -","- C24 H23 Br N2 O2 S -","- C96 H92 Br4 N8 O8 S4 -","4","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.0771","0.0492","","","0.1411","0.1603","","","","","","1.035","","","","has coordinates","202799","2020-10-21","18:00:00",""
"1547131","25.609","0.007","10.536","0.003","19.793","0.005","90","","130.31","","90","","4072.4","1.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.076","0.054","","","0.1531","0.1693","","","","","","1.063","","","","has coordinates","202799","2020-10-21","18:00:00",""
"1547132","9.2443","0.0007","9.2239","0.0007","11.5114","0.0009","99.4294","0.0011","99.6133","0.0012","116.121","0.001","837.12","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Yang, Meng-Nan; Yan, Dong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Dihydropyrazoles via Ligand-Free Pd-Catalyzed Alkene Aminoarylation of Unsaturated Hydrazones with Diaryliodonium Salts.","Organic letters","2017","19","19","5208","5211","10.1021/acs.orglett.7b02480","","","0.71073","MoKα","","0.0543","0.0457","","","0.1321","0.1553","","","","","","0.992","","","","has coordinates,has disorder","202799","2020-10-21","18:00:00",""
"1547133","6.3863","0.0003","12.2125","0.0006","12.3641","0.0003","100.937","0.003","101.585","0.004","103.902","0.004","887.81","0.07","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Br N O4 -","- C17 H20 Br N O4 -","- C34 H40 Br2 N2 O8 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Rhodium- and Non-Metal-Catalyzed Approaches for the Conversion of Isoxazol-5-ones to 2,3-Dihydro-6H-1,3-oxazin-6-ones.","Organic letters","2017","19","19","5158","5161","10.1021/acs.orglett.7b02436","","x-ray","1.54184","CuKα","","0.0332","0.0315","","","0.0824","0.084","","","","","","1.098","","","","has coordinates","202816","2020-10-21","18:00:00",""
"1547134","27.042","0.003","10.5667","0.0009","28.273","0.003","90","","118.213","0.014","90","","7119.1","1.6","149","1","149","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Bis-(4,6-dichlorophenolato)-2-methylpyridine)amine)iron(II)-bis-pyridine","","- C35.61 H35.61 Cl4 Fe N4 O3.11 -","- C35.611 H35.611 Cl4 Fe N4 O3.111 -","- C284.888 H284.888 Cl32 Fe8 N32 O24.888 -","8","2","","Patra, Ranjan; Coin, Guillaume; Castro, Ludovic; Dubourdeaux, Patrick; Clémancey, Martin; Pécaut, Jacques; Lebrun, Colette; Maldivi, Pascale; Latour, Jean-Marc","Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01283G","","x-ray","0.71073","MoKα","","0.1563","0.0877","","","0.2009","0.224","","","","","","0.975","","","","has coordinates,has disorder","200802","2020-10-21","18:00:00",""
"1547135","12.0598","0.0007","16.2046","0.001","17.0517","0.001","71.592","0.005","86.228","0.005","78.678","0.005","3100.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 K N3 O7 -","- C30 H40 K N3 O7 -","- C120 H160 K4 N12 O28 -","4","2","","Mandal, Swadhin K.; Ahmed, Jasimuddin; P, Sreejyothi; Vijaykumar, Gonela; Jose, Anex; Raj, Manthan","New Face of Phenalenyl Based Radical in Transition Metal Free C-H Arylation of Heteroarenes at Room Temperature: Trapping the Radical Initiator via C-C σ Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC02661G","","x-ray","0.71073","MoKα","","0.1451","0.0847","","","0.1832","0.219","","","","","","1.03","","","","has coordinates","200808","2020-10-21","18:00:00",""
"1547136","9.216","0.0012","10.4837","0.0015","14.3635","0.0019","81.176","0.004","78.995","0.004","73.107","0.004","1296.4","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 B2 Br2 Cl6 N4 -","- C52 H56 B2 Br2 Cl6 N4 -","- C52 H56 B2 Br2 Cl6 N4 -","1","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1048","0.05","","","0.0908","0.1057","","","","","","0.999","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547137","17.2104","0.0007","19.0002","0.0008","22.3578","0.001","90","","96.6","0.003","90","","7262.6","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H60 B3 F22 N4 -","- C81 H60 B3 F22 N4 -","- C324 H240 B12 F88 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1548","0.066","","","0.1526","0.2101","","","","","","1.007","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547138","16.2212","0.0012","17.6789","0.0012","15.934","0.0013","90","","109.755","0.004","90","","4300.5","0.6","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 B2 F2 N4 -","- C50 H52 B2 F2 N4 -","- C200 H208 B8 F8 N16 -","4","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1094","0.0504","","","0.1073","0.1344","","","","","","1.004","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547139","15.662","0.003","17.724","0.003","16.037","0.003","90","","109.914","0.005","90","","4185.6","1.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 B2 N4 -","- C50 H54 B2 N4 -","- C200 H216 B8 N16 -","4","0.5","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1922","0.0782","","","0.1357","0.1728","","","","","","1.006","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547140","17.0654","0.0002","18.7504","0.0002","22.9274","0.0003","90","","97.0523","0.0005","90","","7280.88","0.15","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H62 B3 F20 N4 -","- C81 H62 B3 F20 N4 -","- C324 H248 B12 F80 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","1.54178","CuKα","","0.058","0.0532","","","0.1588","0.1656","","","","","","1.085","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547141","21.6523","0.0007","12.031","0.0004","22.3972","0.0007","90","","117.882","0.0013","90","","5157.1","0.3","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H59 B2 Cl4 F3 N4 O3 S -","- C52.999 H59 B2 Cl4 F2.997 N4 O2.997 S0.999 -","- C211.996 H236 B8 Cl16 F11.988 N16 O11.988 S3.996 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.0959","0.0628","","","0.1553","0.1798","","","","","","1.019","","","","has coordinates,has disorder","200809","2020-10-21","18:00:00",""
"1547142","21.931","0.003","12.2382","0.0017","14.94","0.002","90","","108.564","0.004","90","","3801.2","0.9","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H49 B N4 -","- C44 H49 B N4 -","- C176 H196 B4 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1009","0.0601","","","0.1148","0.1323","","","","","","1.009","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547145","9.961","0.001","9.961","0.001","14.432","0.001","90","","90","","120","","1240.1","0.2","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","K3GdSi2O7","","","- Gd2 K3 O7 Si -","- Gd K3 O7 Si2 -","- Gd6 K18 O42 Si12 -","6","0.25","","Nunotani, N.; Asakawa, Y.; Watanabe, M.; Imanaka, N.","Crystal structure and photoluminescent property of Eu3±doped K3GdSi2O7","Journal of Asian Ceramic Societies","2017","380","","5","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","200825","2020-10-21","18:00:00",""
"1547146","4.7024","0.00002","4.7024","0.00002","3.03052","0.00001","90","","90","","90","","67.0126","0.0005","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.05Co0.2Ti0.25Nb0.5O2","","","- Co0.2 Nb0.5 Ni0.05 O2 Ti0.25 -","- Co0.4 Nb Ni0.1 O4 Ti0.5 -","- Co0.4 Nb Ni0.1 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200826","2020-10-21","18:00:00",""
"1547147","4.70025","0.00002","4.70025","0.00002","3.02805","0.00002","90","","90","","90","","66.8967","0.0006","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.1Co0.15Ti0.25Nb0.5O2","","","- Co0.15 Nb0.5 Ni0.1 O2 Ti0.25 -","- Co0.3 Nb Ni0.2 O4 Ti0.5 -","- Co0.3 Nb Ni0.2 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200827","2020-10-21","18:00:00",""
"1547148","4.69708","0.00002","4.69708","0.00002","3.02426","0.00002","90","","90","","90","","66.7229","0.0006","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.2Co0.05Ti0.25Nb0.5O2","","","- Co0.05 Nb0.5 Ni0.2 O2 Ti0.25 -","- Co0.1 Nb Ni0.4 O4 Ti0.5 -","- Co0.1 Nb Ni0.4 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200828","2020-10-21","18:00:00",""
"1547149","4.69859","0.00002","4.69859","0.00002","3.02607","0.00001","90","","90","","90","","66.8058","0.0005","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.15Co0.1Ti0.25Nb0.5O2","","","- Co0.1 Nb0.5 Ni0.15 O2 Ti0.25 -","- Co0.2 Nb Ni0.3 O4 Ti0.5 -","- Co0.2 Nb Ni0.3 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200829","2020-10-21","18:00:00",""
"1547150","4.69413","0.00002","4.69413","0.00002","3.02187","0.00001","90","","90","","90","","66.5865","0.0005","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Ni0.25Ti0.25Nb0.5O2","","","- Nb0.5 Ni0.25 O2 Ti0.25 -","- Nb Ni0.5 O4 Ti0.5 -","- Nb Ni0.5 O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200830","2020-10-21","18:00:00",""
"1547151","4.70411","0.00002","4.70411","0.00002","3.03242","0.00001","90","","90","","90","","67.1034","0.0005","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Co0.25Ti0.25Nb0.5O2","","","- Co0.25 Nb O2 Ti0.25 -","- Co0.5 Nb O4 Ti0.5 -","- Co0.5 Nb O4 Ti0.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200831","2020-10-21","18:00:00",""
"1547153","4.7024","0.0002","4.7024","0.0002","9.1061","0.0004","90","","90","","90","","201.359","0.015","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.05Co0.2Ti0.25Ta0.5O2","","","- Co0.2 Ni0.05 O2 Ta0.5 Ti0.25 -","- Co1.2 Ni0.3 O12 Ta3 Ti1.5 -","- Co1.2 Ni0.3 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200837","2020-10-21","18:00:00",""
"1547154","4.7065","0.0002","4.7065","0.0002","9.1164","0.0004","90","","90","","90","","201.939","0.015","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Co0.25Ti0.25Ta0.5O2","","","- Co0.25 O2 Ta0.5 Ti0.25 -","- Co1.5 O12 Ta3 Ti1.5 -","- Co1.5 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200838","2020-10-21","18:00:00",""
"1547155","4.6998","0.0003","4.6998","0.0003","9.0986","0.0003","90","","90","","90","","200.971","0.019","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.1Co0.15Ti0.25Ta0.5O2","","","- Co0.15 Ni0.1 O2 Ta0.5 Ti0.25 -","- Co0.9 Ni0.6 O12 Ta3 Ti1.5 -","- Co0.9 Ni0.6 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200839","2020-10-21","18:00:00",""
"1547156","4.6989","0.0003","4.6989","0.0003","9.094","0.0004","90","","90","","90","","200.79","0.02","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.15Co0.1Ti0.25Ta0.5O2","","","- Co0.1 Ni0.15 O2 Ta0.5 Ti0.25 -","- Co0.6 Ni0.9 O12 Ta3 Ti1.5 -","- Co0.6 Ni0.9 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200840","2020-10-21","18:00:00",""
"1547157","4.6973","0.0002","4.6973","0.0002","9.0891","0.0004","90","","90","","90","","200.548","0.015","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Ni0.2Co0.05Ti0.25Ta0.5O2","","","- Co0.05 Ni0.2 O2 Ta0.5 Ti0.25 -","- Co0.3 Ni1.2 O12 Ta3 Ti1.5 -","- Co0.3 Ni1.2 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200841","2020-10-21","18:00:00",""
"1547158","4.6946","0.0002","4.6946","0.0002","9.0829","0.0003","90","","90","","90","","200.18","0.014","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Ni0.25Ti0.25Ta0.5O2","","","- Ni0.25 O2 Ta0.5 Ti0.25 -","- Ni1.5 O12 Ta3 Ti1.5 -","- Ni1.5 O12 Ta3 Ti1.5 -","1","0.0625","","Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.","Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property","Journal of Asian Ceramic Societies","2017","289","","5","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","200842","2020-10-21","18:00:00",""
"1547159","12.6396","0.0003","20.1301","0.0004","14.184","0.0003","90","","91.5813","0.0017","90","","3607.55","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 O10 -","- C39 H40 N4 O10 -","- C156 H160 N16 O40 -","4","2","","Zhang, Wei; Xu, Wei; Wang, Gui-Yang; Gong, Xue-Ying; Li, Ni-Ping; Wang, Lei; Ye, Wen-Cai","Gelsekoumidines A and B: Two Pairs of Atropisomeric Bisindole Alkaloids from the Roots of Gelsemium elegans.","Organic letters","2017","19","19","5194","5197","10.1021/acs.orglett.7b02463","","x-ray","1.54184","CuKα","","0.0821","0.0759","","","0.2056","0.2176","","","","","","1.022","","","","has coordinates","202776","2020-10-21","18:00:00",""
"1547160","15.703","0.003","24.65","0.004","14.556","0.003","90","","103.451","0.004","90","","5479.8","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 O8 -","- C64 H60 O8 -","- C256 H240 O32 -","4","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.2231","0.1207","","","0.3312","0.4037","","","","","","1.129","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547161","14.514","0.004","10.865","0.003","44.055","0.011","90","","90","","90","","6947","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C320 H320 N32 O32 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.6525","","","0.0465","0.0427","","","0.1188","0.1257","","","","","","1.1","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547162","12.6363","0.0013","23.284","0.002","25.125","0.003","90","","90","","90","","7392.4","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H52 O8 -","- C40 H52 O8 -","- C320 H416 O64 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.1343","0.0843","","","0.225","0.2622","","","","","","1.04","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547163","7.6528","0.0002","12.1548","0.0002","21.7284","0.0005","90","","90","","90","","2021.14","0.08","297.5","0.6","297.5","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 I N2 O3 -","- C21 H17 I N2 O3 -","- C84 H68 I4 N8 O12 -","4","1","","Liang, Lei; Xie, Ming-Sheng; Qin, Tao; Zhu, Man; Qu, Gui-Rong; Guo, Hai-Ming","Regio- and Enantioselective Synthesis of Chiral Pyrimidine Acyclic Nucleosides via Rhodium-Catalyzed Asymmetric Allylation of Pyrimidines.","Organic letters","2017","19","19","5212","5215","10.1021/acs.orglett.7b02482","","x-ray","1.54184","CuKα","","0.038","0.034","","","0.0822","0.0843","","","","","","1.091","","","","has coordinates","202783","2020-10-21","18:00:00",""
"1547164","65.689","0.008","4.6345","0.0005","21.077","0.002","90","","100.837","0.008","90","","6302.2","1.2","303","2","303","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 F3 N O9 -","- C21 H20 F3 N O9 -","- C252 H240 F36 N12 O108 -","12","3","","Probst, Nicolas; Grelier, Gwendal; Ghermani, NourEddine; Gandon, Vincent; Alami, Mouâd; Messaoudi, Samir","Intramolecular Pd-Catalyzed Anomeric C(sp(3))-H Activation of Glycosyl Carboxamides.","Organic letters","2017","19","19","5038","5041","10.1021/acs.orglett.7b02170","","","1.54178","CuKα","","0.2266","0.1107","","","0.2366","0.2972","","","","","","1.032","","","","has coordinates","202790","2020-10-21","18:00:00",""
"1547165","10.3304","0.0012","17.89","0.002","23.784","0.003","96.034","0.005","99.172","0.005","99.186","0.005","4245.1","0.9","291","2","291","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19.5 F3 N2 O1.25 -","- C25 H19.5 F3 N2 O1.25 -","- C200 H156 F24 N16 O10 -","8","4","","Gao, Yuelei; Hu, Zhongyan; Dong, Jinhuan; Liu, Jun; Xu, Xianxiu","Chemoselective Double Annulation of Two Different Isocyanides: Rapid Access to Trifluoromethylated Indole-Fused Heterocycles.","Organic letters","2017","19","19","5292","5295","10.1021/acs.orglett.7b02582","","","0.71073","MoKα","","0.1776","0.0729","","","0.1636","0.2102","","","","","","1.041","","","","has coordinates,has disorder","214153","2020-10-21","18:00:00",""
"1547166","24.3391","0.0006","8.299","0.0002","35.4906","0.0008","90","","90","","90","","7168.8","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H31 Cl4 N O2 -","- C46 H31 Cl4 N O2 -","- C368 H248 Cl32 N8 O16 -","8","1","","Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank","Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties.","Organic letters","2017","19","19","5328","5331","10.1021/acs.orglett.7b02618","","","1.54178","CuKα","","0.073","0.0551","","","0.1198","0.1272","","","","","","1.099","","","","has coordinates","202794","2020-10-21","18:00:00",""
"1547167","13.408","0.0003","14.6595","0.0003","31.3393","0.0007","90","","98.0086","0.0012","90","","6099.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82 H64 N2 O4 -","- C82 H64 N2 O4 -","- C328 H256 N8 O16 -","4","1","","Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank","Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties.","Organic letters","2017","19","19","5328","5331","10.1021/acs.orglett.7b02618","","","1.54178","CuKα","","0.0653","0.0554","","","0.1481","0.1564","","","","","","1.034","","","","has coordinates,has disorder","202794","2020-10-21","18:00:00",""
"1547168","12.5138","0.0003","17.6266","0.0004","19.7375","0.0004","90","","117.443","0.001","90","","3863.7","0.15","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C168 H200 N8 O24 S8 -","8","2","","Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars","Stereodivergent Synthesis of Pseudotabersonine Alkaloids.","Organic letters","2017","19","19","5356","5359","10.1021/acs.orglett.7b02635","","","0.71073","MoKα","","0.0946","0.0534","","","0.1133","0.1297","","","","","","1.009","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547169","7.4989","0.0002","11.9755","0.0003","20.6566","0.0006","90","","90","","90","","1855.03","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars","Stereodivergent Synthesis of Pseudotabersonine Alkaloids.","Organic letters","2017","19","19","5356","5359","10.1021/acs.orglett.7b02635","","","0.71073","MoKα","","0.0974","0.0606","","","0.1079","0.123","","","","","","1.04","","","","has coordinates","202796","2020-10-21","18:00:00",""
"1547170","7.1561","0.0006","8.0619","0.0006","12.865","0.001","87.837","0.004","88.161","0.004","75.494","0.004","717.84","0.1","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H34 -","- C42 H34 -","- C42 H34 -","1","0.5","","Barker, Joshua E.; Frederickson, Conerd K.; Jones, Michael H.; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Properties of Quinoidal Fluorenofluorenes.","Organic letters","2017","19","19","5312","5315","10.1021/acs.orglett.7b02605","","","1.54178","CuKα","","0.0677","0.0621","","","0.1733","0.1778","","","","","","1.065","","","","has coordinates","202802","2020-10-21","18:00:00",""
"1547171","10.2041","0.0008","10.8173","0.0008","11.4433","0.0009","76.534","0.001","80.93","0.001","81.651","0.001","1205.27","0.16","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 N O11 Os3 S -","- C21 H11 N O11 Os3 S -","- C42 H22 N2 O22 Os6 S2 -","2","1","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","","0.71073","MoKα","","0.0282","0.026","","","0.0584","0.0593","","","","","","1.113","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547172","10.2449","0.0003","11.0705","0.0004","13.4872","0.0004","78.13","0.003","74.717","0.003","81.572","0.003","1437.09","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 N O13 Os3 S -","- C24 H15 N O13 Os3 S -","- C48 H30 N2 O26 Os6 S2 -","2","1","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","x-ray","0.71073","MoKα","","0.0381","0.0348","","","0.0825","0.0862","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547173","10.0477","0.0016","16.538","0.003","17.657","0.003","75.769","0.002","84.515","0.002","84.498","0.002","2823","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 N O13 Os3 S -","- C24 H15 N O13 Os3 S -","- C96 H60 N4 O52 Os12 S4 -","4","2","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","","0.71073","MoKα","","0.0473","0.0403","","","0.1024","0.1067","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547174","9.8419","0.0003","9.9715","0.0003","17.3201","0.0005","75.059","0.003","80.399","0.002","63.273","0.003","1464.29","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 N O13 Os3 S -","- C25 H17 N O13 Os3 S -","- C50 H34 N2 O26 Os6 S2 -","2","1","","Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate","Dalton Trans.","2017","46","39","13597","13609","10.1039/C7DT02933K","","x-ray","0.71073","MoKα","","0.0395","0.0354","","","0.0769","0.0808","","","","","","1.054","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1547175","10.7247","0.0011","7.7401","0.0008","14.5763","0.0016","90","","102.544","0.002","90","","1181.1","0.2","185","2","185","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Hu, Xiaofan; Yan, Jingling; Wang, Yongxia; Mu, Hongliang; wang, zikun; Cheng, Haiyang; Zhao, Fengyu; Wang, Zhen","Colorless polyimides derived from 2R, 5R, 7S, 10S-naphthanetetracarboxylic dianhydride","Polym. Chem.","2017","","","","","10.1039/C7PY01048F","","","0.71073","MoKα","","0.1136","0.0612","","","0.1661","0.2413","","","","","","1.024","","","","has coordinates","200881","2020-10-21","18:00:00",""
"1547176","14.4914","0.0003","14.4914","0.0003","14.4935","0.0005","90","","90","","90","","3043.64","0.14","100","","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C136 H104 Br8 N16 O16 -","8","2","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0841","0.0553","","","0.0889","0.1055","","","","","","0.669","","","","has coordinates","202773","2020-10-21","18:00:00",""
"1547177","8.3966","0.0002","10.4923","0.0003","16.3473","0.0004","90","","90","","90","","1440.19","0.06","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","1","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0401","0.0322","","","0.0694","0.074","","","","","","1.045","","","","has coordinates","202773","2020-10-21","18:00:00",""
"1547178","9.9333","0.0002","32.2929","0.0006","28.6843","0.0006","90","","96.813","0.002","90","","9136.2","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C77 H15 N O2 S3 -","- C77 H15 N O2 S3 -","- C616 H120 N8 O16 S24 -","8","2","","Jiang, Sheng-Peng; Zhang, Mengmeng; Wang, Cheng-Yu; Yang, Shangfeng; Wang, Guan-Wu","Cascade Radical Reaction of N-Sulfonyl-2-allylanilines with [60]Fullerene: Synthesis and Functionalization of (2-Indolinyl)methylated Hydrofullerenes.","Organic letters","2017","19","19","5110","5113","10.1021/acs.orglett.7b02343","","","1.54184","CuKα","","0.088","0.0714","","","0.1767","0.1869","","","","","","1.065","","","","has coordinates","202788","2020-10-21","18:00:00",""
"1547179","14.4154","0.0006","6.024","0.0002","15.0935","0.0006","90","","94.616","0.007","90","","1306.44","0.09","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","MePyNaph","3-methyl-N-(naphthalen-1-yl)picolinamide","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Sato, Takenari; Yoshida, Takumi; Al Mamari, Hamad H.; Ilies, Laurean; Nakamura, Eiichi","Manganese-Catalyzed Directed Methylation of C(sp(2))-H Bonds at 25 °C with High Catalytic Turnover.","Organic letters","2017","19","19","5458","5461","10.1021/acs.orglett.7b02778","","","1.54187","CuKα","","0.0846","0.0517","","","0.1215","0.137","","","","","","1.04","","","","has coordinates","202792","2020-10-21","18:00:00",""
"1547193","9.78469","0.00007","9.17234","0.00004","10.79906","0.00007","90","","108.096","0.0008","90","","921.262","0.011","99.98","0.13","99.98","0.13","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui","Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy","The Journal of Physical Chemistry C","2017","121","38","20947","","10.1021/acs.jpcc.7b06679","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0718","0.0719","","","","","","1.086","","","","has coordinates","201750","2020-10-21","18:00:00",""
"1547194","11.177","0.003","8.834","0.003","12.887","0.004","90","","93.357","0.005","90","","1270.2","0.7","298","","298","","","","","","","","","2","I 1 2 1","I 2y","5","","","","- C34 H20 -","- C34 H20 -","- C68 H40 -","2","0.5","","Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui","Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy","The Journal of Physical Chemistry C","2017","121","38","20947","","10.1021/acs.jpcc.7b06679","","","0.71073","MoKα","","0.1455","0.049","","","0.0586","0.0744","","","","","","1.004","","","","has coordinates","201750","2020-10-21","18:00:00",""
"1547195","11.3435","0.0013","12.4428","0.0013","18.028","0.002","90","","90","","90","","2544.6","0.5","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C112 H128 O32 -","8","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0752","0.0522","","","0.1295","0.1429","","","","","","1.045","","","","has coordinates","202775","2020-10-21","18:00:00",""
"1547196","12.3331","0.0006","12.5411","0.0005","12.506","0.0006","90","","117.489","0.001","90","","1715.93","0.14","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0718","0.0558","","","0.1633","0.1796","","","","","","1.049","","","","has coordinates","202775","2020-10-21","18:00:00",""
"1547197","6.105","0.0012","17.278","0.003","9.698","0.002","90","","97.095","0.004","90","","1015.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Lin, Zhichen; Hu, Zhongyan; Zhang, Xin; Dong, Jinhuan; Liu, Jian-Biao; Chen, De-Zhan; Xu, Xianxiu","Tandem Synthesis of Pyrrolo[2,3-b]quinolones via Cadogen-Type Reaction.","Organic letters","2017","19","19","5284","5287","10.1021/acs.orglett.7b02558","","","0.71069","MoKα","","0.0838","0.0494","","","0.1054","0.1317","","","","","","1.022","","","","has coordinates","211178","2020-10-21","18:00:00",""
"1547198","11.0775","0.0003","16.52","0.001","37.7334","0.0013","90","","90","","90","","6905.2","0.5","99.98","0.13","99.98","0.13","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C21 H21 N2 O1.5 -","- C21 H21 N2 O1.5 -","- C336 H336 N32 O24 -","16","4","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.0928","0.0849","","","0.184","0.1898","","","","","","1.048","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547199","14.1242","0.0011","7.793","0.0005","14.2055","0.001","90","","100.715","0.008","90","","1536.34","0.19","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.058","0.0482","","","0.1178","0.1258","","","","","","1.081","","","","has coordinates","201744","2020-10-21","18:00:00",""
"1547200","17.5147","0.0011","33.238","0.002","5.0184","0.0005","90","","90","","90","","2921.5","0.4","100","0.1","100","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","2","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.0575","0.0499","","","0.1159","0.1217","","","","","","1.113","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547210","7.4432","0.0015","9.993","0.002","16.648","0.003","77.55","0.02","87.54","0.03","87.09","0.03","1206.9","0.4","180","2","180","2","","","","","","","","3","P -1","-P 1","2","Triamterene","6-phenylpteridine-2,4,7-triamine","","- C12 H11 N7 -","- C12 H11 N7 -","- C48 H44 N28 -","4","2","","Rehman, A.; Delori, A.; Hughes, D. S.; Jones, W.","Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: A rational approach to solid form selection","Chemistry Central Journal","2017","63","","11","","10.1186/s13065-017-0293-1","","","1.54178","CuKα","","0.0457","0.036","","","0.0917","0.0984","","","","","","1.032","","","","has coordinates","200975","2020-10-21","18:00:00",""
"1547216","15.6924","0.0002","16.072","0.0002","11.3076","0.0001","90","","121.385","0.001","90","","2434.6","0.05","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H24 Cl2 Co N8 O8 -","- C16 H24 Cl2 Co N8 O8 -","- C64 H96 Cl8 Co4 N32 O32 -","4","1","","Usov, Pavel M.; Simonov, Alexandr N.; Bond, Alan M.; Murphy, Michael J.; D'Alessandro, Deanna M","Untangling Complex Redox Chemistry in Zeolitic Imidazolate Frameworks Using Fourier Transformed Alternating Current Voltammetry.","Analytical chemistry","2017","89","19","10181","10187","10.1021/acs.analchem.7b01224","","","1.54184","CuKα","","0.0363","0.0354","","","0.0883","0.0889","","","","","","1.055","","","","has coordinates,has disorder","201743","2020-10-21","18:00:00",""
"1547217","15.6929","0.0003","16.0879","0.0004","11.3047","0.0002","90","","121.482","0.003","90","","2433.95","0.12","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H24 Cl2 N8 O8 Zn -","- C16 H24 Cl2 N8 O8 Zn -","- C64 H96 Cl8 N32 O32 Zn4 -","4","1","","Usov, Pavel M.; Simonov, Alexandr N.; Bond, Alan M.; Murphy, Michael J.; D'Alessandro, Deanna M","Untangling Complex Redox Chemistry in Zeolitic Imidazolate Frameworks Using Fourier Transformed Alternating Current Voltammetry.","Analytical chemistry","2017","89","19","10181","10187","10.1021/acs.analchem.7b01224","","","1.54178","CuKα","","0.0547","0.0544","","","0.1295","0.1298","","","","","","1.085","","","","has coordinates,has disorder","201743","2020-10-21","18:00:00",""
"1547218","10.1714","0.0015","11.335","0.003","12.394","0.002","111.18","0.03","101.11","0.03","109.8","0.03","1170","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H25 I5 N4 O Pb -","- C6 H25 I5 N4 O Pb -","- C12 H50 I10 N8 O2 Pb2 -","2","1","","Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry","The Journal of Physical Chemistry C","2017","121","38","20739","","10.1021/acs.jpcc.7b08468","","","0.9699","synchrotron","","0.1351","0.1219","","","0.2715","0.2847","","","","","","1.057","","","","has coordinates","201751","2020-10-21","18:00:00",""
"1547219","17.165","0.004","21.955","0.004","4.5549","0.0009","90","","90","","90","","1716.5","0.6","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C8 H26 I8 N4 O2 Pb3 -","- C8 H26 I8 N4 O2 Pb3 -","- C16 H52 I16 N8 O4 Pb6 -","2","0.25","","Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry","The Journal of Physical Chemistry C","2017","121","38","20739","","10.1021/acs.jpcc.7b08468","","","0.9699","synchrotron","","0.1193","0.097","","","0.1908","0.2082","","","","","","0.914","","","","has coordinates","201751","2020-10-21","18:00:00",""
"1547220","4.5647","0.0009","25.446","0.005","12.119","0.002","90","","96.75","0.03","90","","1397.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 I3 N2 O Pb -","- C4 H13 I3 N2 O Pb -","- C16 H52 I12 N8 O4 Pb4 -","4","1","","Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry","The Journal of Physical Chemistry C","2017","121","38","20739","","10.1021/acs.jpcc.7b08468","","","0.9699","synchrotron","","0.1247","0.1036","","","0.226","0.2459","","","","","","1.033","","","","has coordinates","201751","2020-10-21","18:00:00",""
"1547221","7.1541","0.0004","12.2169","0.0007","12.5923","0.0007","64.384","0.002","84.733","0.003","89.351","0.003","987.72","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O10 -","- C21 H24 O10 -","- C42 H48 O20 -","2","1","","Wang, Rurun; Seyedsayamdost, Mohammad R.","Roseochelin B, an Algaecidal Natural Product Synthesized by the Roseobacter Phaeobacter inhibens in Response to Algal Sinapic Acid.","Organic letters","2017","19","19","5138","5141","10.1021/acs.orglett.7b02424","","","1.54178","CuKα","","0.043","0.0354","","","0.0974","0.1104","","","","","","1.104","","","","has coordinates","202806","2020-10-21","18:00:00",""
"1547222","8.4319","0.0003","11.7976","0.0004","13.0028","0.0005","89.9418","0.0014","106.386","0.0012","106.877","0.0013","1182.87","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O9 S -","- C22 H24 O9 S -","- C44 H48 O18 S2 -","2","1","","Wang, Rurun; Seyedsayamdost, Mohammad R.","Roseochelin B, an Algaecidal Natural Product Synthesized by the Roseobacter Phaeobacter inhibens in Response to Algal Sinapic Acid.","Organic letters","2017","19","19","5138","5141","10.1021/acs.orglett.7b02424","","","1.54178","CuKα","","0.0379","0.036","","","0.0964","0.0983","","","","","","1.04","","","","has coordinates","202806","2020-10-21","18:00:00",""
"1547223","13.4005","0.0007","9.5236","0.0007","14.6548","0.0007","90","","105.033","0.005","90","","1806.25","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong","Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.","Organic letters","2017","19","19","5086","5089","10.1021/acs.orglett.7b02251","","x-ray","0.71073","MoKα","","0.1272","0.0595","","","0.1137","0.1463","","","","","","1.024","","","","has coordinates","202807","2020-10-21","18:00:00",""
"1547224","8.4694","0.0007","9.9145","0.0008","11.0455","0.0008","104.21","0.007","93.496","0.006","100.126","0.007","879.82","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","","Zheng, Lewei; Gao, Fei; Yang, Chao; Gao, Guo-Lin; Zhao, Yating; Gao, Yuan; Xia, Wujiong","Visible-Light-Mediated Anti-Regioselective Nitrone 1,3-Dipolar Cycloaddition Reaction and Synthesis of Bisindolylmethanes.","Organic letters","2017","19","19","5086","5089","10.1021/acs.orglett.7b02251","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.113","0.13","","","","","","1.032","","","","has coordinates","202807","2020-10-21","18:00:00",""
"1547225","13.668","0.005","12.191","0.004","11.563","0.004","90","","112.665","0.006","90","","1777.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0742","0.044","","","0.1198","0.1452","","","","","","1.009","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547226","9.3245","0.0005","19.8436","0.001","9.8852","0.0004","90","","97.067","0.005","90","","1815.18","0.15","291.24","0.12","291.24","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0929","0.0603","","","0.1279","0.1465","","","","","","1.073","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547227","9.4551","0.0014","11.3229","0.0017","18.946","0.003","90","","97.519","0.002","90","","2010.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0599","0.0406","","","0.1135","0.1304","","","","","","1.001","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547228","14.8","0.004","12.024","0.004","11.523","0.003","90","","112.388","0.006","90","","1896","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N O -","- C23 H18 Cl N O -","- C92 H72 Cl4 N4 O4 -","4","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0954","0.0468","","","0.1115","0.1353","","","","","","1.002","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547229","17.5173","0.0018","11.7477","0.0012","17.1922","0.0018","90","","90","","90","","3537.9","0.6","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C23 H18 F N O -","- C23 H18 F N O -","- C184 H144 F8 N8 O8 -","8","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0541","0.0395","","","0.0983","0.1079","","","","","","1.002","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547230","8.4979","0.0012","9.606","0.0013","9.7613","0.0013","90.716","0.002","105.714","0.002","100.679","0.002","752.1","0.18","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","2","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0329","0.0312","","","0.0845","0.0873","","","","","","1.001","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547231","25.773","0.005","12.89","0.003","11.497","0.002","90","","91.868","0.004","90","","3817.4","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","","Hu, Yue; Huang, Hanmin","Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.","Organic letters","2017","19","19","5070","5073","10.1021/acs.orglett.7b02284","","","0.71073","MoKα","","0.0624","0.0412","","","0.1176","0.139","","","","","","1.003","","","","has coordinates","202813","2020-10-21","18:00:00",""
"1547232","13.1123","0.0013","20.584","0.0016","11.26","0.0009","90","","99.391","0.009","90","","2998.4","0.5","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 -","- C36 H40 N4 -","- C144 H160 N16 -","4","1","","Cai, Yuanjing; Gui, Chen; Samedov, Kerim; Su, Huifang; Gu, Xinggui; Li, Shiwu; Luo, Wenwen; Sung, Herman H-Y.; Lam, Jacky Wing Yip; Kwok, Ryan T. K.; Williams, Ian Duncan; Qin, Anjun; Tang, Ben Zhong","An Acidic pH Independent Piperazine-TPE AIEgen as a Unique Bioprobe for Lysosome Tracing","Chem. Sci.","2017","","","","","10.1039/C7SC03515B","","x-ray","0.71073","MoKα","","0.1569","0.0679","","","0.099","0.1222","","","","","","1","","","","has coordinates","201004","2020-10-21","18:00:00",""
"1547233","19.604","0.004","28.079","0.006","32.67","0.007","90","","94.47","0.03","90","","17929","7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H39 N9 O15 Zn3 -","- C60 H39 N9 O15 Zn3 -","- C480 H312 N72 O120 Zn24 -","8","1","","Hou, Hongwei; Yu, Cai-Xia; Shao, Chao Zhi","A functionalized metal-organic framework decorated with O− groups showing excellent performance for lead(II) removal from aqueous solution","Chem. Sci.","2017","","","","","10.1039/C7SC03308G","","","0.71073","MoKα","","0.0847","0.0623","","","0.1772","0.1871","","","","","","1.093","","","","has coordinates,has disorder","201005","2020-10-21","18:00:00",""
"1547234","17.843","0.002","22.6128","0.0017","23.019","0.002","90","","104.466","0.01","90","","8993.3","1.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 N2 O S -","- C23 H21 F3 N2 O S -","- C368 H336 F48 N32 O16 S16 -","16","4","","Zhao, Qun; Poisson, Thomas; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Besset, Tatiana","Pd-Catalyzed Diastereoselective Trifluoromethylthiolation of Functionalized Acrylamides.","Organic letters","2017","19","19","5106","5109","10.1021/acs.orglett.7b02384","","","0.71069","MoKα","","0.1823","0.0811","","0.159","0.0896","0.0896","","","","","","1.1344","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547235","8.0887","0.0006","6.4489","0.0005","22.5011","0.0017","90","","93.799","0.001","90","","1171.15","0.15","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Ogiwara, Yohei; Sato, Kazuya; Sakai, Norio","Palladium-Catalyzed Cyclization of Alkynoic Acids To Form Vinyl Dioxanones Bearing a Quaternary Allylic Carbon.","Organic letters","2017","19","19","5296","5299","10.1021/acs.orglett.7b02572","","","0.71073","MoKα","","0.0444","0.0425","","","0.1119","0.1136","","","","","","1.086","","","","has coordinates","202781","2020-10-21","18:00:00",""
"1547236","13.6337","0.0007","14.573","0.0007","17.0961","0.0009","90","","90","","90","","3396.7","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Co F N O2 -","- C18 H18 Cl Co F N O2 -","- C144 H144 Cl8 Co8 F8 N8 O16 -","8","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0731","0.0531","","","0.134","0.1469","","","","","","1.037","","","","has coordinates","202786","2020-10-21","18:00:00",""
"1547237","8.3729","0.0002","18.1458","0.0004","14.1298","0.0003","90","","113.125","0.001","90","","1974.29","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Br Cl Co N O3 -","- C19 H22 Br Cl Co N O3 -","- C76 H88 Br4 Cl4 Co4 N4 O12 -","4","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0293","0.0285","","","0.0712","0.0718","","","","","","1.054","","","","has coordinates","288040","2023-12-05","15:03:41",""
"1547238","15.2176","0.0005","8.3864","0.0003","32.8506","0.0011","90","","90","","90","","4192.4","0.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 S2 -","- C29 H16 S2 -","- C232 H128 S16 -","8","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.1155","0.0779","","","0.195","0.239","","","","","","1.127","","","","has coordinates","202789","2020-10-21","18:00:00",""
"1547239","12.2019","0.0002","15.4584","0.0003","16.691","0.0003","90","","94.737","0.001","90","","3137.53","0.1","193","2","193","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C31 H18 Cl6 O4 S2 -","- C31 H18 Cl6 O4 S2 -","- C124 H72 Cl24 O16 S8 -","4","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.0757","0.0698","","","0.1967","0.2024","","","","","","1.066","","","","has coordinates,has disorder","202789","2020-10-21","18:00:00",""
"1547240","11.246","0.002","17.285","0.004","11.864","0.002","90","","90","","90","","2306.2","0.8","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","2","","Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi","Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.","Organic letters","2017","19","19","5300","5303","10.1021/acs.orglett.7b02479","","","0.71073","MoKα","","0.1092","0.0957","","","0.2581","0.272","","","","","","1.071","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547241","14.352","0.005","8.032","0.003","22.473","0.008","90","","95.996","0.008","90","","2576.4","1.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F N O -","- C15 H18 F N O -","- C120 H144 F8 N8 O8 -","8","2","","Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi","Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.","Organic letters","2017","19","19","5300","5303","10.1021/acs.orglett.7b02479","","","0.71073","MoKα","","0.067","0.0509","","","0.133","0.1423","","","","","","0.961","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547242","12.4248","0.0013","20.3497","0.0015","20.8058","0.0015","90","","90","","90","","5260.6","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 F6 N3 P2 Ru -","- C23 H33 F6 N3 P2 Ru -","- C184 H264 F48 N24 P16 Ru8 -","8","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0491","0.0307","","","0.0639","0.072","","","","","","1.02","","","","has coordinates","201053","2020-10-21","18:00:00",""
"1547243","11.7704","0.0005","13.58","0.0005","15.0853","0.0006","80.426","0.001","68.805","0.001","70.553","0.001","2117","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","Compound 13","","- C37 H59 F6 N7 P2 Ru -","- C37 H59 F6 N7 P2 Ru -","- C74 H118 F12 N14 P4 Ru2 -","2","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0458","0.0381","","","0.0905","0.0956","","","","","","1.076","","","","has coordinates,has disorder","201053","2020-10-21","18:00:00",""
"1547262","7.708","0.0014","7.8648","0.0014","14.246","0.003","105.133","0.002","90.39","0.003","110.375","0.003","776.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H19 B10 N O2 -","- C10 H19 B10 N O2 -","- C20 H38 B20 N2 O4 -","2","1","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.0535","0.0434","","","0.1226","0.1519","","","","","","1.112","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547263","7.8102","0.0018","10.484","0.002","14.408","0.003","101.922","0.005","101.787","0.004","102.815","0.004","1086.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 B10 N2 O2 -","- C17 H22 B10 N2 O2 -","- C34 H44 B20 N4 O4 -","2","1","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.0962","0.057","","","0.1511","0.18","","","","","","1.041","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547264","10.435","0.005","10.813","0.005","21.42","0.009","84.083","0.007","81.585","0.007","75.119","0.007","2305.3","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 B10 N O4 -","- C18 H29 B10 N O4 -","- C72 H116 B40 N4 O16 -","4","2","","Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng","Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane.","Organic letters","2017","19","19","5178","5181","10.1021/acs.orglett.7b02450","","","0.71073","MoKα","","0.1198","0.09","","","0.2534","0.2982","","","","","","1.018","","","","has coordinates","202787","2020-10-21","18:00:00",""
"1547265","12.4255","0.0009","15.7669","0.0011","17.6793","0.0013","90","","102.091","0.003","90","","3386.7","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 N2 O2 Si -","- C41 H42 N2 O2 Si -","- C164 H168 N8 O8 Si4 -","4","1","","Williams, David R.; Bawel, Seth A.; Schaugaard, Richard N.","A Stereoselective Michael-Mannich Annelation Strategy for the Construction of Novel Tetrahydrocarbazoles.","Organic letters","2017","19","19","5098","5101","10.1021/acs.orglett.7b02323","","","0.71073","MoKα","","0.0825","0.0516","","0.1551","0.1317","0.1551","","","","","","0.9668","","","","has coordinates","202803","2020-10-21","18:00:00",""
"1547266","13.791","0.003","21.838","0.004","14.457","0.003","90","","107.005","0.005","90","","4163.6","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H11 Cl3 N2 Zn -","- C11 H11 Cl3 N2 Zn -","- C132 H132 Cl36 N24 Zn12 -","12","3","","Xing, Xiu-Shuang; Sa, Rongjian; Li, Pei-Xin; Zhang, Ning-Ning; Zhou, Zhong-Yuan; Liu, Bin-Wen; Liu, Jie; Wang, Ming-Sheng; Guo, Guo-Cong","Second-order nonlinear optical switch with the record-high contrast for a photochromic and thermochromic bistable crystal","Chem. Sci.","2017","","","","","10.1039/C7SC01228D","","","0.71073","MoKα","","0.0507","0.0388","","","0.1127","0.141","","","","","","0.984","","","","has coordinates","201093","2020-10-21","18:00:00",""
"1547274","15.804","0.003","4.2293","0.0006","25.855","0.004","90","","90","","90","","1728.1","0.5","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D1.56 Ge -","- Ba D1.55967 Ge -","- Ba24 D37.432 Ge24 -","24","3","","Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger","Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds","Angewandte Chemie International Edition","2017","56","40","12344","12347","10.1002/anie.201706523","powder diffraction","","1.79725","neutron","","","","","","","","","3.03","2.14","","","","","","","has coordinates","201106","2020-10-21","18:00:00",""
"1547275","15.0698","0.0019","3.9503","0.0002","24.6424","0.0019","90","","90","","90","","1467","0.2","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D1.49 Si Sr -","- D1.49167 Si Sr -","- D35.8 Si24 Sr24 -","24","3","","Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger","Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds","Angewandte Chemie International Edition","2017","56","40","12344","","10.1002/anie.201706523","powder diffraction","","1.86693","neutron","","","","","","","","","3.34","3.13","","","","","","","has coordinates","201107","2020-10-21","18:00:00",""
"1547279","9.826","0.0006","8.8711","0.0007","10.6841","0.0007","90","","90.834","0.003","90","","931.21","0.11","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Metformin acetate","","","- C6 H15 N5 O2 -","- C6 H15 N5 O2 -","- C24 H60 N20 O8 -","4","1","","Hassan, Ahmed R.; El-Kousy, Salah M; El-Toumy, Sayed A; Frydenvang, Karla; Tung, Truong Thanh; Olsen, Jesper; Nielsen, John; Christensen, Søren Brøgger","Metformin, an Anthropogenic Contaminant of Seidlitzia rosmarinus Collected in a Desert Region near the Gulf of Aqaba, Sinai Peninsula.","Journal of natural products","2017","80","10","2830","2834","10.1021/acs.jnatprod.7b00106","","","0.71073","MoKα","","0.0799","0.0491","","","0.1082","0.1208","","","","","","1.018","","","","has coordinates","202668","2020-10-21","18:00:00",""
"1547280","7.9855","0.0016","9.6318","0.0019","16.342","0.003","90","","96.36","0.03","90","","1249.2","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun","Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio","The Journal of Physical Chemistry C","2017","121","39","21610","","10.1021/acs.jpcc.7b06920","","","0.71073","MoKα","","0.0956","0.0769","","","0.1018","0.11","","","","","","1.025","","","","has coordinates","202767","2020-10-21","18:00:00",""
"1547281","4.7737","0.0002","9.4733","0.0006","24.6076","0.0012","90","","97.36","0.003","90","","1103.65","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun","Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio","The Journal of Physical Chemistry C","2017","121","39","21610","","10.1021/acs.jpcc.7b06920","","","0.71073","MoKα","","0.0692","0.0629","","","0.1191","0.1229","","","","","","1.068","","","","has coordinates,has disorder","202767","2020-10-21","18:00:00",""
"1547282","10.1846","0.0004","10.9622","0.0004","8.9314","0.0003","90","","99.716","0.004","90","","982.85","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun","Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio","The Journal of Physical Chemistry C","2017","121","39","21610","","10.1021/acs.jpcc.7b06920","","","0.71073","MoKα","","0.0598","0.0488","","","0.1216","0.1295","","","","","","1.049","","","","has coordinates","202767","2020-10-21","18:00:00",""
"1547283","5.6343","0.0006","11.2778","0.0012","15.9493","0.0016","90","","90","","90","","1013.46","0.18","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","7.3694","2.0321","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547284","5.6351","0.0005","11.3134","0.0009","15.9647","0.0011","90","","90","","90","","1017.78","0.14","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.4958","1.8298","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547285","5.6443","0.0005","11.3472","0.001","15.9872","0.0011","90","","90","","90","","1023.93","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.9791","1.7595","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547286","5.6581","0.0006","11.3735","0.0013","16.0267","0.0015","90","","90","","90","","1031.36","0.19","600","","600","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.0249","1.7096","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547287","5.6848","0.0012","11.3764","0.0019","16.09","0.003","90","","90","","90","","1040.6","0.3","700","","700","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.5117","1.7788","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547288","8.0715","0.0005","8.0715","0.0005","8.0715","0.0005","90","","90","","90","","525.85","0.06","800","","800","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe7.2 K7.2 O16 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","1","0.00520833","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","neutron","","","","","","","","","10.3727","2.6321","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547289","8.0961","0.0005","8.0961","0.0005","8.0961","0.0005","90","","90","","90","","530.67","0.06","900","","900","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe7.2 K7.2 O16 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","1","0.00520833","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.6204","1.0365","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547290","8.1062","0.0005","8.1062","0.0005","8.1062","0.0005","90","","90","","90","","532.66","0.06","950","","950","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe7.2 K7.2 O16 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","- Fe7.2 K7.2 O15.9994 Ti0.8 -","1","0.00520833","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","7.94","1.5024","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547291","17.957","0.003","5.9124","0.0009","22.486","0.003","90","","122.636","0.009","90","","2010.4","0.6","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 Si4 -","- C44 H50 N2 Si4 -","- C88 H100 N4 Si8 -","2","0.5","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.1268","0.0648","","","0.139","0.1636","","","","","","1.021","","","","has coordinates,has disorder","202769","2020-10-21","18:00:00",""
"1547292","9.6393","0.0009","9.6969","0.0009","11.313","0.0011","78.132","0.002","77.374","0.002","78.525","0.002","996.6","0.16","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 F4 -","- C28 H16 F4 -","- C56 H32 F8 -","2","1","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.0611","0.0523","","","0.1363","0.1434","","","","","","1.039","","","","has coordinates","202769","2020-10-21","18:00:00",""
"1547293","7.0204","0.0011","7.3076","0.0013","11.485","0.002","102.679","0.005","92.77","0.005","103.071","0.005","556.96","0.16","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H14 F4 N2 -","- C32 H14 F4 N2 -","- C32 H14 F4 N2 -","1","0.5","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.0452","0.0371","","","0.0955","0.1014","","","","","","1.061","","","","has coordinates","202769","2020-10-21","18:00:00",""
"1547294","11.1962","0.0007","11.4527","0.0007","16.6957","0.001","104.961","0.002","104.164","0.002","96.492","0.002","1969.6","0.2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H52 Si4 -","- C40 H52 Si4 -","- C80 H104 Si8 -","2","1","","Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R.","Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes","The Journal of Physical Chemistry C","2017","121","39","21262","","10.1021/acs.jpcc.7b07870","","x-ray","0.71073","MoKα","","0.0927","0.0475","","","0.102","0.1166","","","","","","0.981","","","","has coordinates","202769","2020-10-21","18:00:00",""
"1547295","11.9025","0.0008","7.4111","0.0006","13.2657","0.0009","90","","90","","90","","1170.18","0.15","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Hao, Feiyue; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Direct Aziridination of Nitroalkenes Affording N-Alkyl-C-nitroaziridines and the Subsequent Lewis Acid Mediated Isomerization to β-Nitroenamines.","Organic letters","2017","19","19","5442","5445","10.1021/acs.orglett.7b02724","","","0.71075","MoKα","","0.1021","0.0567","","","0.1257","0.1591","","","","","","0.91","","","","has coordinates","202800","2020-10-21","18:00:00",""
"1547296","8.0103","0.0002","6.9176","0.0002","24.3023","0.0005","90","","95.153","0.001","90","","1341.2","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0457","0.0381","","","0.1287","0.1408","","","","","","1.16","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547297","7.9568","0.0003","13.6772","0.0005","14.6028","0.0006","69.85","0.001","87.671","0.001","77.154","0.001","1453.44","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O Si -","- C15 H18 N2 O Si -","- C60 H72 N8 O4 Si4 -","4","2","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.036","0.0324","","","0.091","0.0936","","","","","","1.032","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547298","11.9573","0.0003","11.2275","0.0003","14.8598","0.0004","90","","98.926","0.001","90","","1970.78","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O Si -","- C21 H22 N2 O Si -","- C84 H88 N8 O4 Si4 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0502","0.0481","","","0.1236","0.1258","","","","","","1.023","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547299","8.126","0.0002","20.9981","0.0005","11.7913","0.0002","90","","120.091","0.001","90","","1740.81","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F2 N3 O Pd -","- C20 H13 F2 N3 O Pd -","- C80 H52 F8 N12 O4 Pd4 -","4","1","","Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu","Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.","Organic letters","2017","19","19","5216","5219","10.1021/acs.orglett.7b02486","","","1.54178","CuKα","","0.0218","0.0212","","","0.0557","0.0562","","","","","","1.087","","","","has coordinates","202801","2020-10-21","18:00:00",""
"1547300","19.273","0.007","7.63","0.003","12.384","0.005","90","","100.001","0.01","90","","1793.4","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 Si -","- C18 H28 O3 Si -","- C72 H112 O12 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.1088","0.0875","","","0.2212","0.2375","","","","","","1.074","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547301","7.3119","0.0005","11.552","0.0009","12.6325","0.001","104.854","0.0024","97.6124","0.0022","94.5246","0.0023","1015.17","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C42 H64 O6 Si2 -","2","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0646","0.0511","","","0.1342","0.1435","","","","","","1.052","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547302","9.1835","0.0005","11.772","0.0006","11.8757","0.0006","97.9911","0.0014","97.2935","0.0014","105.76","0.0015","1205.18","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","2","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0592","0.0471","","","0.1285","0.1378","","","","","","1.046","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547303","19.8426","0.0011","7.7701","0.0004","12.1168","0.0007","90","","91.8138","0.0018","90","","1867.22","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O4 Si -","- C18 H28 O4 Si -","- C72 H112 O16 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.0634","0.0479","","","0.1249","0.1354","","","","","","1.03","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547304","7.2951","0.0003","25.7751","0.001","10.621","0.0005","90","","95.7546","0.0029","90","","1987.02","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 O3 Si -","- C19 H30 O3 Si -","- C76 H120 O12 Si4 -","4","1","","Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing","Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.","Organic letters","2017","19","19","5324","5327","10.1021/acs.orglett.7b02610","","","0.71073","MoKα","","0.1252","0.0836","","","0.1757","0.1987","","","","","","1.032","","","","has coordinates","202804","2020-10-21","18:00:00",""
"1547305","8.9921","0.001","14.991","0.0014","18.8794","0.0012","70.038","0.007","86.459","0.007","82.52","0.008","2371.3","0.4","292.95","0.1","292.95","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 Cl F3 N2 O3 S -","- C25 H18 Cl F3 N2 O3 S -","- C100 H72 Cl4 F12 N8 O12 S4 -","4","2","","Meng, Qiang; Chen, Fei; Yu, Wei; Han, Bing","Copper-Catalyzed Cascade Cyclization of 1,7-Enynes toward Trifluoromethyl-Substituted 1'H-Spiro[azirine-2,4'-quinolin]-2'(3'H)-ones.","Organic letters","2017","19","19","5186","5189","10.1021/acs.orglett.7b02453","","","0.71073","MoKα","","0.1379","0.0707","","","0.164","0.24","","","","","","1.017","","","","has coordinates","202811","2020-10-21","18:00:00",""
"1547306","9.49","0.003","11.322","0.004","7.377","0.004","90","","90","","90","","792.6","0.6","90","2","90","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","0.5","","Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C.","Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors","Polym. Chem.","2017","","","","","10.1039/C7PY01373F","","","0.71073","MoKα","","0.099","0.0615","","","0.1135","0.1262","","","","","","1.074","","","","has coordinates","201167","2020-10-21","18:00:00",""
"1547307","10.3252","0.0003","13.8631","0.0004","16.9586","0.0003","101.243","0.001","92.514","0.001","109.471","0.001","2229.09","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(pefloxacinium 2-thiobarbiturate) hydrate","","- C21 H25 F N5 O7.28 -","- C21 H25 F N5 O7.2805 -","- C84 H100 F4 N20 O29.122 -","4","2","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin","Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra","Journal of Molecular Structure","2017","1149","0","367","372","10.1016/j.molstruc.2017.08.011","","","0.71073","MoKα","","0.0747","0.055","","","0.1704","0.1891","","","","","","1.039","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1547308","12.0768","0.0009","14.712","0.0011","12.2222","0.0009","90","","95.109","0.003","90","","2162.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pefloxacinium 2-thiobarbiturate","","- C21 H24 F N5 O5 S -","- C21 H24 F N5 O5 S -","- C84 H96 F4 N20 O20 S4 -","4","1","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin","Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra","Journal of Molecular Structure","2017","1149","0","367","372","10.1016/j.molstruc.2017.08.011","","","0.71073","MoKα","","0.0725","0.0468","","","0.1116","0.1256","","","","","","1.06","","","","has coordinates","201173","2020-10-21","18:00:00",""
"1547309","8.4651","0.0006","9.3753","0.0006","15.8077","0.0009","89.484","0.002","88.735","0.002","78.147","0.002","1227.48","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-thiobarbiturate trihydrate","","- C21 H30 F N5 O8 S -","- C21 H30 F N5 O8 S -","- C42 H60 F2 N10 O16 S2 -","2","1","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin","Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra","Journal of Molecular Structure","2017","1149","0","367","372","10.1016/j.molstruc.2017.08.011","","","0.71073","MoKα","","0.1218","0.0523","","","0.106","0.1336","","","","","","0.905","","","","has coordinates","201174","2020-10-21","18:00:00",""
"1547310","11.1051","0.0008","11.6556","0.0007","12.5568","0.0009","65.997","0.006","65.067","0.007","67.782","0.006","1303.82","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O5 Se -","- C28 H24 N4 O5 Se -","- C56 H48 N8 O10 Se2 -","2","1","","Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun","Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration.","Organic letters","2017","19","19","5450","5453","10.1021/acs.orglett.7b02751","","","0.71073","MoKα","","0.0682","0.04","","","0.0744","0.0856","","","","","","1.011","","","","has coordinates","202784","2020-10-21","18:00:00",""
"1547311","13.0995","0.0006","13.8051","0.0005","15.6445","0.0005","90","","112.12","0.005","90","","2620.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F N4 O5 Se -","- C28 H23 F N4 O5 Se -","- C112 H92 F4 N16 O20 Se4 -","4","1","","Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun","Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration.","Organic letters","2017","19","19","5450","5453","10.1021/acs.orglett.7b02751","","","0.71073","MoKα","","0.0633","0.0481","","","0.1275","0.1384","","","","","","1.036","","","","has coordinates","202784","2020-10-21","18:00:00",""
"1547312","8.5275","0.0003","10.4444","0.0003","11.7063","0.0004","71.7186","0.0015","77.0693","0.0012","66.7601","0.0009","903.67","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0557","0.0425","","","0.1028","0.1121","","","","","","1.039","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547313","26.201","0.002","9.1245","0.0007","16.2023","0.0013","90","","108.289","0.003","90","","3677.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0939","0.0429","","","0.0912","0.1135","","","","","","1.006","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547314","10.907","0.0003","11.8602","0.0003","12.5989","0.0003","114.533","0.001","105.84","0.001","100.619","0.001","1341.35","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cl3 N O2 -","- C31 H24 Cl3 N O2 -","- C62 H48 Cl6 N2 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0984","0.0801","","","0.1957","0.2135","","","","","","0.941","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547315","9.0802","0.0003","9.9498","0.0004","24.9306","0.0009","90","","98.8194","0.0013","90","","2225.75","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C120 H92 N4 O8 -","4","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0526","0.036","","","0.0879","0.0997","","","","","","1.006","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547316","9.3618","0.0004","10.5515","0.0005","24.1467","0.0011","90","","96.2562","0.0019","90","","2371.03","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C124 H92 N4 O16 -","4","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0585","0.0454","","","0.108","0.1175","","","","","","1.073","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547317","8.7392","0.0003","10.6106","0.0003","11.8953","0.0004","73.1183","0.0016","78.1739","0.0017","66.4494","0.0015","962.6","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C54 H36 O4 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.","Organic letters","2017","19","19","5280","5283","10.1021/acs.orglett.7b02555","","","0.71073","MoKα","","0.0876","0.0706","","","0.1992","0.2232","","","","","","1.071","","","","has coordinates","202797","2020-10-21","18:00:00",""
"1547318","11.2003","0.0003","32.9681","0.0009","9.9704","0.0003","90","","103.46","0.001","90","","3580.47","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B N O4 -","- C20 H20 B N O4 -","- C160 H160 B8 N8 O32 -","8","2","","Khanizeman, R. N.; Barde, E.; Bates, R. W.; Guérinot, A; Cossy, J.","Modular Access to Triarylethylene Units from Arylvinyl MIDA Boronates Using a Regioselective Heck Coupling.","Organic letters","2017","19","19","5046","5049","10.1021/acs.orglett.7b02218","","","1.54178","CuKα","","0.0495","0.0391","","","0.0979","0.1039","","","","","","1.021","","","","has coordinates","202809","2020-10-21","18:00:00",""
"1547319","8.3072","0.0007","7.8052","0.001","25.7246","0.0027","90","","97.491","0.004","90","","1653.7","0.3","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","dG(C10)2","3',5'-bis-O-decanoyl-2'-deoxyguanosine","","- C30 H49 N5 O6 -","- C30 H49 N5 O6 -","- C60 H98 N10 O12 -","2","1","","Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris","Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif","Chemical Science","2017","8","","3971","3979","10.1039/c7sc00587c","powder diffraction","x-ray","1.5406","","","","","","","","","0.17052","","1.69","","","","","","","has coordinates","201225","2020-10-21","18:00:00",""
"1547320","17.934","0.008","36.37","0.02","13.179","0.008","90","","120.82","0.03","90","","7382","7","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C312 H264 Cu12 N48 O72 Se12 -","12","3","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.1294","0.0894","","","0.2069","0.2324","","","","","","1.2","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547321","17.86","0.03","12.16","0.03","13.17","0.03","90","","120.79","0.03","90","","2457","9","303","2","303","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C104 H88 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0953","0.0697","","","0.162","0.1735","","","","","","1.059","","","","has coordinates","201235","2020-10-21","18:00:00",""
"1547322","17.924","0.013","12.236","0.013","13.253","0.015","90","","120.69","0.03","90","","2500","4","353","2","353","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.73 H4 Cu0.18 N0.73 O1.09 Se0.18 -","- C4.72727 H4 Cu0.181818 N0.727273 O1.09091 Se0.181818 -","- C104 H88 Cu4 N16 O24 Se4 -","22","2.75","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0616","0.0492","","","0.1206","0.1281","","","","","","1.115","","","","has coordinates","201236","2020-10-21","18:00:00",""
"1547323","17.434","0.019","13.149","0.012","13.184","0.014","90","","123.634","0.01","90","","2516","4","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0458","0.0392","","","0.1007","0.1078","","","","","","1.101","","","","has coordinates,has disorder","201237","2020-10-21","18:00:00",""
"1547324","17.58","0.019","13.218","0.013","13.269","0.015","90","","123.34","0.013","90","","2576","5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.058","0.0509","","","0.1251","0.1337","","","","","","1.067","","","","has coordinates,has disorder","201238","2020-10-21","18:00:00",""
"1547325","9.6462","0.0003","11.3462","0.0003","34.2707","0.001","81.024","0.002","83.266","0.002","65.585","0.002","3367.79","0.18","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H41 Fe N O7 -","- C35.5 H41 Fe N O7 -","- C142 H164 Fe4 N4 O28 -","4","2","","Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard","A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.","Journal of medicinal chemistry","2017","60","20","8358","8368","10.1021/acs.jmedchem.7b00743","","","1.54178","CuKα","","0.0378","0.0332","","","0.0868","0.0895","","","","","","1.028","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547326","17.515","0.02","13.237","0.012","13.262","0.015","90","","123.415","0.013","90","","2566","5","243","2","243","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0704","0.0536","","","0.1277","0.1438","","","","","","1.004","","","","has coordinates,has disorder","201240","2020-10-21","18:00:00",""
"1547327","11.7418","0.0003","16.8025","0.0005","13.8536","0.0004","90","","112.354","0.002","90","","2527.8","0.13","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Fe N O4 -","- C31 H29 Fe N O4 -","- C124 H116 Fe4 N4 O16 -","4","1","","Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard","A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.","Journal of medicinal chemistry","2017","60","20","8358","8368","10.1021/acs.jmedchem.7b00743","","","1.54178","CuKα","","0.0393","0.0344","","","0.0847","0.0879","","","","","","1.035","","","","has coordinates","202667","2020-10-21","18:00:00",""
"1547328","17.582","0.008","13.248","0.008","13.324","0.005","90","","123.38","0.04","90","","2592","2","333","2","333","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0455","0.0391","","","0.0908","0.0955","","","","","","1.046","","","","has coordinates,has disorder","201242","2020-10-21","18:00:00",""
"1547329","17.723","0.009","12.711","0.006","13.471","0.007","90","","123.186","0.008","90","","2540","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.047","0.0433","","","0.0907","0.0936","","","","","","1.051","","","","has coordinates","201243","2020-10-21","18:00:00",""
"1547330","17.794","0.008","12.662","0.008","13.644","0.011","90","","123.19","0.02","90","","2573","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0472","0.0411","","","0.0939","0.0969","","","","","","1.115","","","","has coordinates,has disorder","201244","2020-10-21","18:00:00",""
"1547331","17.551","0.018","13.247","0.011","13.266","0.013","90","","123.367","0.012","90","","2576","4","253","2","253","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0622","0.05","","","0.126","0.1377","","","","","","1.05","","","","has coordinates,has disorder","201245","2020-10-21","18:00:00",""
"1547332","17.551","0.006","13.239","0.006","13.305","0.005","90","","123.3","0.03","90","","2584","2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H16 Cu0.67 N2.67 O4 Se0.67 -","- C18 H16 Cu0.666667 N2.66667 O4 Se0.666667 -","- C108 H96 Cu4 N16 O24 Se4 -","6","1.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0554","0.0465","","","0.1181","0.1264","","","","","","1.025","","","","has coordinates,has disorder","201246","2020-10-21","18:00:00",""
"1547333","10.2889","0.0009","20.9035","0.0018","18.3345","0.0017","90","","102.106","0.002","90","","3855.6","0.6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H36 Ni O4 P2 S -","- C46 H36 Ni O4 P2 S -","- C184 H144 Ni4 O16 P8 S4 -","4","1","","Yang, Bangpei; Xiong, Shuoyan; Chen, Changle","Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization","Polym. Chem.","2017","","","","","10.1039/C7PY01281K","","","0.71073","MoKα","","0.07","0.0539","","","0.1368","0.1457","","","","","","1.046","","","","has coordinates","201252","2020-10-21","18:00:00",""
"1547334","18.0878","0.0016","13.8845","0.0013","17.3793","0.0015","90","","101.127","0.002","90","","4282.6","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 Cl2 Ni O4 P2 S -","- C51 H40 Cl2 Ni O4 P2 S -","- C204 H160 Cl8 Ni4 O16 P8 S4 -","4","1","","Yang, Bangpei; Xiong, Shuoyan; Chen, Changle","Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization","Polym. Chem.","2017","","","","","10.1039/C7PY01281K","","","0.71073","MoKα","","0.0993","0.0529","","","0.1254","0.1512","","","","","","0.999","","","","has coordinates","201252","2020-10-21","18:00:00",""
"1547335","10.075","0.0008","11.6829","0.0009","14.3961","0.0012","75.307","0.001","72.583","0.001","84.033","0.002","1563.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 O5 P Pd S2 -","- C32 H33 O5 P Pd S2 -","- C64 H66 O10 P2 Pd2 S4 -","2","1","","Yang, Bangpei; Xiong, Shuoyan; Chen, Changle","Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization","Polym. Chem.","2017","","","","","10.1039/C7PY01281K","","","0.71073","MoKα","","0.0707","0.0485","","","0.1087","0.116","","","","","","1.092","","","","has coordinates,has disorder","201252","2020-10-21","18:00:00",""
"1547336","16.1809","0.0012","6.7481","0.0004","16.4245","0.0013","90","","116.917","0.003","90","","1599.1","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Sidjui, Lazare S.; Eyong, Kenneth O.; Hull, Kenneth G.; Folefoc, Gabriel N.; Leddet, Valérie M; Herbette, Gaëtan; Ollivier, Evelyne; Taube, Joseph; Klausmeyer, Kevin; Romo, Daniel","Bioactive Seco-Lanostane-Type Triterpenoids from the Roots of Leplaea mayombensis.","Journal of natural products","2017","80","10","2644","2651","10.1021/acs.jnatprod.7b00210","","","0.71073","MoKα","","0.1013","0.0607","","","0.1145","0.1249","","","","","","1.029","","","","has coordinates","202670","2020-10-21","18:00:00",""
"1547337","14.322","0.0013","15.9818","0.0016","20.0611","0.0016","107.703","0.004","90.106","0.004","110.238","0.004","4074.8","0.7","173","2","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C94 H110 N6 O10 -","- C94 H110 N6 O10 -","- C188 H220 N12 O20 -","2","1","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.2001","0.104","","","0.2151","0.2713","","","","","","1.026","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547338","9.6346","0.0014","10.1658","0.0015","11.207","0.0017","68.379","0.002","82.74","0.002","68.992","0.002","952.6","0.2","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Br4 N4 O8 -","- C36 H42 Br4 N4 O8 -","- C36 H42 Br4 N4 O8 -","1","0.5","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.0438","0.0374","","","0.0995","0.1042","","","","","","1.032","","","","has coordinates","201287","2020-10-21","18:00:00",""
"1547339","12.0595","0.0002","12.5637","0.0003","16.8685","0.0003","74.7825","0.0011","76.6602","0.0012","70.7332","0.0011","2298.72","0.08","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H130 N4 O12 -","- C106 H130 N4 O12 -","- C106 H130 N4 O12 -","1","0.5","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","1.54178","CuKα","","0.0962","0.0584","","","0.1379","0.157","","","","","","1.037","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547340","14.2079","0.0009","18.9576","0.0011","20.1063","0.0013","97.249","0.003","100.114","0.003","108.536","0.003","4957.8","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H124 B2 F8 N4 O9 -","- C109 H124 B2 F8 N4 O9 -","- C218 H248 B4 F16 N8 O18 -","2","1","","Gholami, Ghazale; Zhu, Kelong; Baggi, Giorgio; Schott, Eduardo; Zarate, Ximena; Loeb, Stephen J.","Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes","Chem. Sci.","2017","","","","","10.1039/C7SC03736H","","","0.71073","MoKα","","0.1744","0.1057","","","0.2079","0.2555","","","","","","1.106","","","","has coordinates,has disorder","201287","2020-10-21","18:00:00",""
"1547341","26.221","0.004","26.221","0.004","60.059","0.012","90","","90","","120","","35761","11","134","2","134","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","CLMOP-1c","","- C149.6 H188 Cl6 N8 O47.4 Zr12 -","- C108 H72 Cl6 O40 Zr12 -","- C648 H432 Cl36 O240 Zr72 -","6","0.166667","","Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung","Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC03847J","","","0.66","Synchrotron","","0.1439","0.0787","","","0.2562","0.2949","","","","","","0.874","","","","has coordinates","201288","2020-10-21","18:00:00",""
"1547342","36.748","0.004","36.748","0.004","36.748","0.004","90","","90","","90","","49625","9","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","UMOP-1-NH2","","- C116 H126 Cl6 N8 O40 Zr12 -","- C108 H84 Cl6 N6 O40 Zr12 -","- C864 H672 Cl48 N48 O320 Zr96 -","8","0.0416667","","Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung","Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization","Chem. Sci.","2017","","","","","10.1039/C7SC03847J","","","0.70001","synchrotron","","0.0968","0.0758","","","0.2723","0.3085","","","","","","1.214","","","","has coordinates","201288","2020-10-21","18:00:00",""
"1547343","15.8084","0.0009","15.8084","0.0009","24.853","0.003","90","","90","","90","","6210.9","0.9","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H112 As8 Ga Na5 O68 Pd12 -","- C48 H40 As8 Ga O52 Pd12 -","- C96 H80 As16 Ga2 O104 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0665","0.0547","","","0.171","0.1953","","","","","","1.036","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547344","15.8839","0.0006","15.8839","0.0006","25.1431","0.0019","90","","90","","90","","6343.6","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H102 As8 La Na5 O63 Pd12 -","- C48 H40 As8 La O48 Pd12 -","- C96 H80 As16 La2 O96 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0639","0.056","","","0.2025","0.2179","","","","","","1.086","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547345","13.0985","0.0009","16.2291","0.0012","22.9839","0.0014","103.266","0.003","92.094","0.003","97.633","0.004","4701.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H122 As6 La Na3 O73 Pd12 -","- C84 H78 As12 La2 Na5.5 O85.5 Pd24 -","- C84 H78 As12 La2 Na5.5 O85.5 Pd24 -","1","0.5","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.1092","0.0845","","","0.2376","0.2626","","","","","","1.081","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547346","15.7992","0.0006","15.7992","0.0006","24.954","0.002","90","","90","","90","","6228.9","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H100 As8 In Na5 O62 Pd12 -","- C48 H40 As8 In O50 Pd12 -","- C96 H80 As16 In2 O100 Pd24 -","2","0.125","","Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M.","Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study","Chem. Sci.","2017","","","","","10.1039/C7SC03441E","","","0.71073","MoKα","","0.0647","0.0552","","","0.196","0.2143","","","","","","1.012","","","","has coordinates","201289","2020-10-21","18:00:00",""
"1547357","7.8958","0.0004","16.9193","0.0006","18.2874","0.0008","90","","90","","90","","2443.04","0.19","290.84","0.1","290.84","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O5 S2 -","- C25 H25 N2 O5 S2 -","- C100 H100 N8 O20 S8 -","4","1","","Zhu, Shi-Ya; Zhang, Yuanzhen; Wang, Wei; Hui, Xin-Ping","Stereoselective Synthesis of Functionalized Tetrahydro-1H-1,2-diazepines by N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation.","Organic letters","2017","19","19","5380","5383","10.1021/acs.orglett.7b02657","","","0.7107","MoKα","","0.0819","0.0565","","","0.1168","0.1347","","","","","","1.022","","","","has coordinates","202772","2020-10-21","18:00:00",""
"1547358","11.5449","0.0005","34.1483","0.0014","4.9573","0.0002","90","","90","","90","","1954.36","0.14","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0728","0.0481","","","0.0895","0.0982","","","","","","1.05","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547359","11.3495","0.0005","36.3258","0.0017","4.7864","0.0002","90","","90","","90","","1973.34","0.15","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C92 H88 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.035","0.0312","","","0.0754","0.0771","","","","","","1.089","","","","has coordinates,has disorder","202814","2020-10-21","18:00:00",""
"1547360","5.3844","0.0004","21.4986","0.0016","8.2956","0.0006","90","","106.438","0.004","90","","921.02","0.12","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 I N3 O7 S -","- C15 H16 I N3 O7 S -","- C30 H32 I2 N6 O14 S2 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.54178","CuKα","","0.0732","0.0712","","","0.1855","0.1874","","","","","","1.077","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547361","22.1529","0.0011","9.8472","0.0005","15.6753","0.0008","90","","121.483","0.002","90","","2916.1","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H29 Cl2 I N2 O7 -","- C27 H29 Cl2 I N2 O7 -","- C108 H116 Cl8 I4 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.08","0.065","","","0.1419","0.1517","","","","","","1.06","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547362","5.272","0.0005","14.4113","0.0014","33.766","0.003","90","","90","","90","","2565.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 I3 N2 O5 -","- C24 H21 I3 N2 O5 -","- C96 H84 I12 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0779","0.0747","","","0.1961","0.1984","","","","","","1.126","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547363","4.8466","0.0001","11.7928","0.0003","18.3146","0.0005","90","","96.5347","0.0015","90","","1039.97","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0615","0.044","","","0.0811","0.0861","","","","","","1.142","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547364","8.9667","0.0002","7.6705","0.0002","16.1715","0.0004","90","","92.338","0.001","90","","1111.33","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0344","0.0339","","","0.082","0.0826","","","","","","1.096","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547365","11.2916","0.0013","12.501","0.0013","23.9203","0.0016","88.359","0.008","86.588","0.008","76.689","0.01","3279.6","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 N6 O10 S2 -","- C64 H96 N6 O10 S2 -","- C128 H192 N12 O20 S4 -","2","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","","1.54184","CuKα","","0.2097","0.1405","","","0.3336","0.3767","","","","","","1.46","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547366","13.8269","0.0016","14.5451","0.0015","16.5512","0.0016","90","","103.927","0.011","90","","3230.8","0.6","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 N4 O4 S2 -","- C31 H48 N4 O4 S2 -","- C124 H192 N16 O16 S8 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","x-ray","1.54184","CuKα","","0.0592","0.0463","","","0.1209","0.1308","","","","","","1.036","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547367","13.1121","0.0018","16.3159","0.0014","13.6871","0.0016","90","","90.027","0.011","90","","2928.2","0.6","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 N3 O5 S -","- C28 H49 N3 O5 S -","- C112 H196 N12 O20 S4 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","x-ray","1.54184","CuKα","","0.0657","0.0504","","","0.1336","0.1479","","","","","","1.037","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547368","12.706","0.003","13.689","0.004","19.969","0.004","90","","107.12","0.03","90","","3319.4","1.5","100","0.4","100","0.4","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H50 N4 O4.5 S2 -","- C32 H50 N4 O4.5 S2 -","- C128 H200 N16 O18 S8 -","4","1","","White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R.","Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation","Chem. Sci.","2017","","","","","10.1039/C7SC03888G","","","1.54184","CuKα","","0.1212","0.0673","","","0.1267","0.161","","","","","","0.933","","","","has coordinates,has disorder","201328","2020-10-21","18:00:00",""
"1547369","13.6872","0.0016","22.135","0.003","24.856","0.003","90","","94.046","0.004","90","","7511.8","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C170 H155.5 N18 O3 -","- C170 H155.5 N18 O3 -","- C340 H311 N36 O6 -","2","1","","Galan, Albano; Escudero, Eduardo Carmelo; Ballester, Pablo","Template-directed self-assembly of dynamic covalent capsules with polar interiors","Chem. Sci.","2017","","","","","10.1039/C7SC03731G","","","0.71073","MoKα","","0.2986","0.1397","","","0.2872","0.3541","","","","","","1.328","","","","has coordinates,has disorder","201329","2020-10-21","18:00:00",""
"1547392","25.657","0.0017","6.1824","0.0004","12.8915","0.0007","90","","90","","90","","2044.9","0.2","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0876","0.0847","","","0.2608","0.2636","","","","","","1.045","","","","has coordinates","202774","2020-10-21","18:00:00",""
"1547393","12.1637","0.0003","6.9628","0.0002","13.0151","0.0004","90","","104.05","0.001","90","","1069.32","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C44 H68 O14 -","2","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0333","0.0313","","","0.0813","0.0831","","","","","","1.041","","","","has coordinates","202774","2020-10-21","18:00:00",""
"1547394","10.1934","0.0009","11.1437","0.001","19.3947","0.0018","90","","90","","90","","2203.1","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 F N2 O3 -","- C23 H27 F N2 O3 -","- C92 H108 F4 N8 O12 -","4","1","","Paladhi, Sushovan; Park, Sang Yeon; Yang, Jung Woon; Song, Choong Eui","Asymmetric Synthesis of α-Fluoro-β-Amino-oxindoles with Tetrasubstituted C-F Stereogenic Centers via Cooperative Cation-Binding Catalysis.","Organic letters","2017","19","19","5336","5339","10.1021/acs.orglett.7b02628","","","0.71073","MoKα","","0.0985","0.0503","","","0.0925","0.1106","","","","","","1.072","","","","has coordinates","202777","2020-10-21","18:00:00",""
"1547395","8.0793","0.0002","9.9652","0.0003","13.6943","0.0003","93.198","0.002","105.789","0.002","91.377","0.002","1058.42","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F3 N O3 S -","- C24 H18 F3 N O3 S -","- C48 H36 F6 N2 O6 S2 -","2","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","1.54184","CuKα","","0.0606","0.0582","","","0.1556","0.1598","","","","","","1.042","","","","has coordinates","202779","2020-10-21","18:00:00",""
"1547396","11.3446","0.0004","15.1444","0.0005","13.1535","0.0004","90","","104.43","0.003","90","","2188.57","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F3 N O3 S -","- C24 H18 F3 N O3 S -","- C96 H72 F12 N4 O12 S4 -","4","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","1.54184","CuKα","","0.0735","0.0595","","","0.1596","0.1727","","","","","","1.028","","","","has coordinates","202779","2020-10-21","18:00:00",""
"1547397","10.6461","0.0011","7.0696","0.0006","23.381","0.003","90","","95.897","0.009","90","","1750.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei","Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.","Organic letters","2017","19","19","5402","5405","10.1021/acs.orglett.7b02678","","","0.71073","MoKα","","0.1922","0.0758","","","0.0852","0.1136","","","","","","0.915","","","","has coordinates","202779","2020-10-21","18:00:00",""
"1547398","6.8529","0.0003","11.4799","0.0004","26.6681","0.0009","90","","90","","90","","2098","0.14","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O2 -","- C23 H29 B O2 -","- C92 H116 B4 O8 -","4","1","","Chen, Chenhui; Shen, Xuzhong; Chen, Jianhui; Hong, Xin; Lu, Zhan","Iron-Catalyzed Hydroboration of Vinylcyclopropanes.","Organic letters","2017","19","19","5422","5425","10.1021/acs.orglett.7b02691","","","1.54184","CuKα","","0.0665","0.0572","","","0.1578","0.1687","","","","","","1.074","","","","has coordinates,has disorder","202795","2020-10-21","18:00:00",""
"1547399","11.626","0.005","13.194","0.005","13.907","0.005","107.517","0.013","91.291","0.013","105.046","0.013","1952.8","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Br N O3 -","- C23 H18 Br N O3 -","- C92 H72 Br4 N4 O12 -","4","2","","Zhang, Yuwen; Tong, Xiaofeng","Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones.","Organic letters","2017","19","19","5462","5465","10.1021/acs.orglett.7b02787","","","0.71073","MoKα","","0.1159","0.0689","","","0.1922","0.2358","","","","","","1.046","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547400","7.3638","0.0016","8.8975","0.0019","11.801","0.003","68.539","0.004","84.494","0.004","78.362","0.004","704.6","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Zhang, Yuwen; Tong, Xiaofeng","Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones.","Organic letters","2017","19","19","5462","5465","10.1021/acs.orglett.7b02787","","","0.71073","MoKα","","0.1194","0.0536","","","0.1251","0.1537","","","","","","1.002","","","","has coordinates","202798","2020-10-21","18:00:00",""
"1547401","14.242","0.0017","15.1637","0.0019","15.545","0.002","61.832","0.004","68.911","0.004","89.354","0.004","2709.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Br2 N3 Pd -","- C31 H23 Br2 N3 Pd -","- C124 H92 Br8 N12 Pd4 -","4","2","","Karthik, Shanmugam; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene-Catalyzed Direct C-H Acylation of Heteroarenes with N-Acylsaccharins.","Organic letters","2017","19","19","5486","5489","10.1021/acs.orglett.7b02877","","","0.71073","MoKα","","0.1225","0.0886","","","0.2286","0.2464","","","","","","1.038","","","","has coordinates","202810","2020-10-21","18:00:00",""
"1547402","14.021","0.002","14.021","0.002","15.713","0.002","90","","90","","120","","2675.1","0.6","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Lutetium Copper Oxydiacetate, hydrate","","- C24 H30 Cu3 Lu2 O36 -","- C24 H30 Cu3 Lu2 O36 -","- C48 H60 Cu6 Lu4 O72 -","2","0.0833333","","Cancino, Patricio; Paredes-Garcia, Veronica; Torres, Julia; Martínez, Sebastián; Kremer, Carlos; Spodine, Evgenia","{[Cu3Lu2(ODA)6(H2O)6]•10H2O}n . First heterometallic framework based on copper(II)/lutetium(III) for the catalytic oxidation of olefins and aromatic benzylic substrates.","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01385J","","","0.71073","MoKα","","0.0394","0.0224","","","0.0473","0.059","","","","","","1.132","","","","has coordinates","201391","2020-10-21","18:00:00",""
"1547403","12.463","0.002","13.493","0.003","15.328","0.003","64.971","0.005","73.14","0.005","82.198","0.006","2234.9","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 Br2 S4 -","- C44 H58 Br2 S4 -","- C88 H116 Br4 S8 -","2","1","","Mayorga Burrezo, Paula; Domínguez, Rocío; Zafra, José L.; Pappenfus, Ted M.; de la Cruz, Pilar; Welte, Lorena; Janzen, Daron Edward; lopez navarrete, juan teodomiro; Langa, Fernando; Casado Cordón, Juan","Oligomers of Cyclopentadithiophene-Vinylene in Aromatic and Quinoidal Versions and Redox Species with Intermediate Forms","Chem. Sci.","2017","","","","","10.1039/C7SC02756G","","","0.71075","MoKα","","0.0892","0.0543","","","0.1248","0.1433","","","","","","1.028","","","","has coordinates,has disorder","201392","2020-10-21","18:00:00",""
"1547404","11.389","0.0006","34.79","0.002","14.0047","0.0008","90","","92.144","0.003","90","","5545.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H90 Ce Li N6 O9 Si6 -","- C36 H90 Ce Li N6 O9 Si6 -","- C144 H360 Ce4 Li4 N24 O36 Si24 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.0481","0.0391","","","0.0768","0.0796","","","","","","1.107","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547405","15.06","0.002","15.339","0.003","25.158","0.004","89.555","0.005","89.167","0.005","84.713","0.005","5786.2","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.25 H86 Ce1.5 Li N5 O8.25 Si6 -","- C38.25 H77 Ce1.5 Li N5 O8.25 Si6 -","- C153 H308 Ce6 Li4 N20 O33 Si24 -","4","2","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.1612","0.0737","","","0.1449","0.1814","","","","","","0.99","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547406","16.2803","0.0014","15.8306","0.0016","22.128","0.002","90","","109.57","0.005","90","","5373.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H90 Ce Li N5 O7 Si6 -","- C36 H90 Ce Li N5 O7 Si6 -","- C144 H360 Ce4 Li4 N20 O28 Si24 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.1773","0.078","","","0.1493","0.1866","","","","","","0.981","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547407","19.3389","0.0007","15.0467","0.0005","21.7679","0.0008","90","","107.901","0.002","90","","6027.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H99 Ce Li N5 O7 Si7 -","- C39 H99 Ce Li N5 O7 Si7 -","- C156 H396 Ce4 Li4 N20 O28 Si28 -","4","1","","Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.","Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex","Chem. Sci.","2017","","","","","10.1039/C7SC03715E","","","0.71073","MoKα","","0.0736","0.0469","","","0.1176","0.1312","","","","","","1.076","","","","has coordinates","201393","2020-10-21","18:00:00",""
"1547453","9.375","0.0003","24.889","0.0007","32.6086","0.001","91.535","0.002","96.019","0.002","96.156","0.002","7517.6","0.4","451","2","451","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H81 I3 P6 Pd3 -","- C72 H81 I3 P6 Pd3 -","- C288 H324 I12 P24 Pd12 -","4","2","","Hasegawa, Hirokazu; Nagata, Yuuya; Terao, Ken; Suginome, Michinori","Synthesis and Solution Properties of a Rigid Helical Star Polymer: Three-Arm Star Poly(quinoxaline-2,3-diyl)","Macromolecules","2017","50","19","7491","","10.1021/acs.macromol.7b01797","","","0.78207","","","0.162","0.1136","","","0.3027","0.3338","","","","","","1.028","","","","has coordinates","203994","2020-10-21","18:00:00",""
"1547454","9.60806","0.00017","11.4151","0.0002","20.1805","0.0014","90","","90","","90","","2213.34","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O7 S -","- C25 H23 N O7 S -","- C100 H92 N4 O28 S4 -","4","1","","Takizawa, Shinobu; Sako, Makoto; Abozeid, Mohamed Ahmed; Kishi, Kenta; Wathsala, H. D. P.; Hirata, Shuichi; Murai, Kenichi; Fujioka, Hiromichi; Sasai, Hiroaki","Enantio- and Diastereoselective Betti/aza-Michael Sequence: Single Operated Preparation of Chiral 1,3-Disubstituted Isoindolines.","Organic letters","2017","19","19","5426","5429","10.1021/acs.orglett.7b02693","","","1.54187","CuKα","","0.0275","0.027","","","0.0695","0.0698","","","","","","1.076","","","","has coordinates","202782","2020-10-21","18:00:00",""
"1547455","7.5979","0.0016","16.309","0.004","13.633","0.003","90","","91.809","0.019","90","","1688.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F5 N O2 -","- C19 H16 F5 N O2 -","- C76 H64 F20 N4 O8 -","4","1","","Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang","Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers.","Organic letters","2017","19","19","5478","5481","10.1021/acs.orglett.7b02828","","","0.71073","MoKα","","0.0928","0.0619","","","0.1803","0.201","","","","","","1.075","","","","has coordinates","208163","2020-10-21","18:00:00",""
"1547456","17.687","0.003","10.7866","0.0019","7.8181","0.0013","90","","92.685","0.003","90","","1489.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N3 O -","- C16 H15 F2 N3 O -","- C64 H60 F8 N12 O4 -","4","1","","Zhang, Yunxiao; Yan, Weitao; Wang, Yukang; Weng, Zhiqiang","Copper-Catalyzed Synthesis of Indol-3-yl α-(Difluoromethyl)-α-(trifluoromethyl)carbinols: Construction of Difluoromethylated sp(3) Carbon Centers.","Organic letters","2017","19","19","5478","5481","10.1021/acs.orglett.7b02828","","","0.71073","MoKα","","0.0682","0.0592","","","0.1572","0.1678","","","","","","1.064","","","","has coordinates","202815","2020-10-21","18:00:00",""
"1547457","9.4167","0.0006","14.0835","0.0008","17.8245","0.001","80.071","0.002","89.817","0.002","79.781","0.002","2290.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 N8 -","- C24 H30 N8 -","- C96 H120 N32 -","4","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0632","0.0444","","","0.1212","0.1343","","","","","","1.03","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547458","30.0913","0.0006","10.7187","0.0001","23.0764","0.0005","90","","116.049","0.002","90","","6687","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 F6 N8 O6 S2 -","- C26 H32 F6 N8 O6 S2 -","- C208 H256 F48 N64 O48 S16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0468","0.0378","","","0.1013","0.106","","","","","","1.024","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547459","15.7795","0.0013","8.7261","0.0008","21.0431","0.0019","90","","101.069","0.003","90","","2843.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0699","0.0537","","","0.1419","0.153","","","","","","1.047","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547460","10.335","0.0003","31.4198","0.001","9.5959","0.0003","90","","90.414","0.002","90","","3115.93","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl N2 O2 -","- C19 H15 Cl N2 O2 -","- C152 H120 Cl8 N16 O16 -","8","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0598","0.0513","","","0.1102","0.1129","","","","","","1.059","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547461","10.14276","0.00019","10.2202","0.0003","11.6711","0.0002","79.961","0.002","89.7958","0.0015","87.646","0.002","1190.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 Cl2 N8 -","- C22 H28 Cl2 N8 -","- C44 H56 Cl4 N16 -","2","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0445","0.0396","","","0.1096","0.1121","","","","","","1.055","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547462","19.4045","0.0005","7.14236","0.00016","30.4827","0.0007","90","","90","","90","","4224.72","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C232 H176 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0536","0.0437","","","0.1161","0.1227","","","","","","1.05","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547463","9.8771","0.001","10.6875","0.001","36.521","0.004","90","","96.428","0.003","90","","3831","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H17 F3 N2 O2 -","- C24 H17 F3 N2 O2 -","- C192 H136 F24 N16 O16 -","8","4","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0938","0.085","","","0.2226","0.2302","","","","","","1.076","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547464","11.5272","0.0007","12.3657","0.0007","12.7398","0.0008","100.159","0.002","112.561","0.002","92.319","0.002","1638.97","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0636","0.0473","","","0.1161","0.1259","","","","","","1.042","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547465","11.9737","0.0002","15.384","0.0003","21.9422","0.0004","70.396","0.002","80.794","0.001","74.763","0.001","3662.21","0.12","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H82 N6 O5 -","- C96 H82 N6 O5 -","- C192 H164 N12 O10 -","2","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.064","0.0465","","","0.1206","0.1301","","","","","","1.026","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547466","9.1959","0.0002","11.7982","0.0003","21.0279","0.0006","90","","100.29","0.003","90","","2244.73","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Cl N2 O3 S -","- C25 H23 Cl N2 O3 S -","- C100 H92 Cl4 N8 O12 S4 -","4","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0503","0.0395","","","0.0991","0.1045","","","","","","1.02","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547467","19.222","0.0008","19.8976","0.0008","21.4243","0.0009","116.588","0.002","95.458","0.002","95.019","0.002","7216.1","0.5","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C256 H288 Au52 S32 -","- C256 H188 Au52 S32 -","- C256 H188 Au52 S32 -","1","0.5","","Zhuang, Shengli; Liao, Lingwen; Li, Man-Bo; Yao, Chuanhao; Zhao, Yan; Dong, Hongwei; Li, Jin; Deng, Haiteng; Li, Lingling; Wu, Zhikun","The fcc structure isomerization in gold nanoclusters","Nanoscale","2017","","","","","10.1039/C7NR05239A","","","1.54178","CuKα","","0.1836","0.1352","","","0.3636","0.4084","","","","","","1.458","","","","has coordinates","201492","2020-10-21","18:00:00",""
"1547468","34.3699","0.0008","36.2763","0.0009","26.3392","0.0006","90","","95.223","0.002","90","","32703.7","1.3","150","2","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C164 H232 Ag51 Br6 F18 P8 S16 Sb3 -","- C164 H232 Ag51 Br6 F18 P8 S16 Sb3 -","- C656 H928 Ag204 Br24 F72 P32 S64 Sb12 -","4","0.5","","Zou, Xuejuan; Jin, Shan; Du, Wenjun; Li, Yangfeng; Wang, Shuxin; li, peng; Zhu, Manzhou","Multi-Ligand-Directed Synthesis of Chiral Silver Nanoclusters","Nanoscale","2017","","","","","10.1039/C7NR06338E","","","0.71073","MoKα","","0.0996","0.0657","","","0.1951","0.2216","","","","","","1.045","","","","has coordinates","209503","2020-10-21","18:00:00",""
"1547469","24.4964","0.0003","36.3669","0.0005","38.1702","0.0005","102.631","0.001","98.305","0.001","100.372","0.001","32035","0.8","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C256 H303 Ag32 Cl10 F17.96 P10 S13 Sb3 -","- C256 H303 Ag32 Cl10 F17.9594 P10 S13 Sb3 -","- C1024 H1212 Ag128 Cl40 F71.8376 P40 S52 Sb12 -","4","2","","Zou, Xuejuan; Jin, Shan; Du, Wenjun; Li, Yangfeng; Wang, Shuxin; li, peng; Zhu, Manzhou","Multi-Ligand-Directed Synthesis of Chiral Silver Nanoclusters","Nanoscale","2017","","","","","10.1039/C7NR06338E","","","0.71073","MoKα","","0.198","0.114","","","0.3027","0.3656","","","","","","1.061","","","","has coordinates","201494","2020-10-21","18:00:00",""
"1547470","8.404","0.002","13.281","0.003","11.867","0.003","90","","102.612","0.005","90","","1292.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 F5 N3 O3 -","- C13 H6 F5 N3 O3 -","- C52 H24 F20 N12 O12 -","4","1","","Roy Chowdhury, Additi; Mondal, Amita; Roy, Biswajit Gopal; K, Jagadeesh C. Bose; Mukhopadhyay, Sudit; Banerjee, Priyabrata","Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F−: experimental and DFT studies","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00246G","","","0.71073","MoKα","","0.0839","0.0751","","","0.2086","0.2322","","","","","","1.22","","","","has coordinates","201498","2020-10-21","18:00:00",""
"1547471","9.1588","0.0009","10.6738","0.0011","11.2243","0.0011","96.254","0.002","90.635","0.002","93.181","0.002","1088.91","0.19","100","2","100","2","","","","","","","acetonitrile","5","P -1","-P 1","2","","","","- C22 H11 F10 N5 O2 -","- C22 H11 F10 N5 O2 -","- C44 H22 F20 N10 O4 -","2","1","","Roy Chowdhury, Additi; Mondal, Amita; Roy, Biswajit Gopal; K, Jagadeesh C. Bose; Mukhopadhyay, Sudit; Banerjee, Priyabrata","Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F−: experimental and DFT studies","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00246G","","","0.71073","MoKα","","0.0385","0.0332","","","0.0892","0.0932","","","","","","1.028","","","","has coordinates","201499","2020-10-21","18:00:00",""
"1547489","12.1023","0.0003","8.2733","0.0002","13.0573","0.0004","90","","105.335","0.002","90","","1260.83","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Hsu, Day-Shin; Yeh, Jen-Yu; Cheng, Chiao-Yun","Total Synthesis of the Proposed Structure of (±)-Nidemone.","Organic letters","2017","19","20","5549","5552","10.1021/acs.orglett.7b02645","","","0.71073","MoKα","","0.0826","0.0461","","","0.1019","0.1293","","","","","","1.183","","","","has coordinates","202823","2020-10-21","18:00:00",""
"1547490","9.8299","0.0015","14.231","0.002","17.386","0.003","102.214","0.002","101.847","0.003","98.259","0.003","2281.5","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H122 Cl10 I4 P2 Pd2 -","- C68 H110 Cl4 I4 P2 Pd2 -","- C68 H110 Cl4 I4 P2 Pd2 -","1","0.5","","Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions.","Organic letters","2017","19","20","5641","5644","10.1021/acs.orglett.7b02807","","","0.71073","MoKα","","0.0442","0.0309","","","0.0693","0.0779","","","","","","1.037","","","","has coordinates","202824","2020-10-21","18:00:00",""
"1547491","13.9909","0.0007","21.5456","0.0011","10.7208","0.0005","90","","105.505","0.001","90","","3114.1","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H102 P2 Pd -","- C64 H102 P2 Pd -","- C128 H204 P4 Pd2 -","2","0.5","","Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions.","Organic letters","2017","19","20","5641","5644","10.1021/acs.orglett.7b02807","","","0.71073","MoKα","","0.0497","0.0387","","","0.094","0.1029","","","","","","1.054","","","","has coordinates,has disorder","202824","2020-10-21","18:00:00",""
"1547492","19.7299","0.0001","19.7299","0.0001","30.7413","0.0002","90","","90","","120","","10363.4","0.1","153","2","153","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C450 H522 N18 O90 -","18","2","","Cui, Hui; Lin, Yun; Luo, Mingchu; Lu, Yongjun; Huang, Xishan; She, Zhigang","Diaporisoindoles A-C: Three Isoprenylisoindole Alkaloid Derivatives from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","Organic letters","2017","19","20","5621","5624","10.1021/acs.orglett.7b02748","","","1.54178","CuKα","","0.0301","0.0294","","","0.0804","0.0811","","","","","","1.041","","","","has coordinates","202827","2020-10-21","18:00:00",""
"1547493","10.0626","0.0008","10.0626","0.0008","10.0626","0.0008","90","","90","","90","","1018.9","0.14","90","2","90","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Cu14 Ge6 P26 -","- Ba8 Cu13.988 Ge6.008 P25.998 -","- Ba8 Cu13.988 Ge6.008 P25.998 -","1","0.0208333","","Wang, Jian; Lebedev, Oleg I.; Lee, Kathleen; Dolyniuk, Juli-Anna; Klavins, Peter; Bux, Sabah K.; Kovnir, Kirill","High-efficiency Thermoelectric Ba8Cu14Ge6P26: Bridging the gap between tetrel-based and tetrel-free clathrates","Chem. Sci.","2017","","","","","10.1039/C7SC03482B","","","0.71073","MoKα","","0.0189","0.0164","","","0.0309","0.0317","","","","","","1.149","","","","has coordinates","201539","2020-10-21","18:00:00",""
"1547494","12.777","0.003","19.699","0.004","18.981","0.004","90","","106.55","0.03","90","","4579.5","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Br2 N2 Ni -","- C56 H48 Br2 N2 Ni -","- C224 H192 Br8 N8 Ni4 -","4","1","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.0486","0.0464","","","0.1158","0.1175","","","","","","1.139","","","","has coordinates","201549","2020-10-21","18:00:00",""
"1547495","29.579","0.004","29.579","0.004","32.113","0.006","90","","90","","120","","24332","7","173.15","","173.15","","","","","","","","","5","R -3","-R 3","148","","","","- C56 H48 Cl2 N2 Ni -","- C56 H48 Cl2 N2 Ni -","- C1008 H864 Cl36 N36 Ni18 -","18","","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.1011","0.0868","","","0.2477","0.2621","","","","","","1.099","","","","has coordinates","201549","2020-10-21","18:00:00",""
"1547496","10.452","0.002","19.191","0.004","12.944","0.003","90","","91.09","0.03","90","","2595.9","0.9","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H52 Br2 N2 Ni -","- C58 H52 Br2 N2 Ni -","- C116 H104 Br4 N4 Ni2 -","2","1","","Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua","Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01606A","","","0.71073","MoKα","","0.0486","0.0446","","","0.1132","0.1166","","","","","","1.078","","","","has coordinates,has disorder","201549","2020-10-21","18:00:00",""
"1547497","6.9835","0.0018","13.171","0.003","14.818","0.003","90","","90","","90","","1363","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.1067","0.0529","","","0.1012","0.12","","","","","","0.998","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547498","9.7788","0.0002","9.8113","0.0002","13.9226","0.0003","90","","90","","90","","1335.77","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.0757","0.0466","","","0.0897","0.1009","","","","","","1.033","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547499","14.971","0.002","8.5731","0.0012","26.443","0.004","90","","96.075","0.002","90","","3374.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N Pd S -","- C19 H16 Cl N Pd S -","- C152 H128 Cl8 N8 Pd8 S8 -","8","2","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.0503","0.0445","","","0.0995","0.1022","","","","","","1.234","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547500","5.5753","0.0019","8.462","0.003","36.235","0.012","90","","90","","90","","1709.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl N Pd Se -","- C19 H16 Cl N Pd Se -","- C76 H64 Cl4 N4 Pd4 Se4 -","4","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.041","0.0393","","","0.0937","0.0946","","","","","","1.146","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547501","15.624","0.002","9.9535","0.0014","15.7","0.002","90","","94.12","0.003","90","","2435.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl5 N Pd Se -","- C20 H20 Cl5 N Pd Se -","- C80 H80 Cl20 N4 Pd4 Se4 -","4","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.0961","0.0584","","","0.1485","0.169","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547502","9.2268","0.0017","11.055","0.002","21.199","0.004","84.46","0.004","82.473","0.004","72.438","0.004","2040.1","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H20 Cl3 N Pd S -","- C19.5 H20 Cl3 N Pd S -","- C78 H80 Cl12 N4 Pd4 S4 -","4","2","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.133","0.0736","","","0.1361","0.1598","","","","","","0.994","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547503","5.247","0.002","14.195","0.006","10.646","0.004","90","","101.61","0.008","90","","776.7","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N S -","- C19 H17 N S -","- C38 H34 N2 S2 -","2","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.0777","0.0617","","","0.1343","0.1438","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547504","23.269","0.005","18.286","0.004","33.209","0.007","90","","92.92","0.03","90","","14112","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114.47 H115.78 B3 N12.82 O14.82 -","- C114.016 H114.704 B3 N12.672 O14.672 -","- C456.064 H458.816 B12 N50.688 O58.688 -","4","0.5","","Danjo, Hiroshi; Hamaguchi, Masahiro; Asai, Kohei; Nakatani, Mizuki; Kawanishi, Hiroko; Kawahata, Masatoshi; Yamaguchi, Kentaro","Proton-Induced Assembly‒Disassembly Modulation of Spiroborate Twin-Bowl Polymers Bearing Pyridyl Groups","Macromolecules","2017","50","20","8028","","10.1021/acs.macromol.7b01924","","","0.8","Synchrotron","","0.1877","0.123","","","0.3404","0.3887","","","","","","1.286","","","","has coordinates","203995","2020-10-21","18:00:00",""
"1547505","9.8851","0.0004","5.5559","0.0002","27.8824","0.0011","90","","94.53","0.002","90","","1526.54","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Das, Tamal Kanti; Mondal, Santigopal; Gonnade, Rajesh G.; Biju, Akkattu T.","Base-Free and Catalyst-Free Synthesis of Functionalized Dihydrobenzoxazoles via Vinylogous Carbonate to Carbamate Rearrangement.","Organic letters","2017","19","20","5597","5600","10.1021/acs.orglett.7b02733","","","0.71073","MoKα","","0.0538","0.0501","","","0.1148","0.1168","","","","","","1.135","","","","has coordinates","202818","2020-10-21","18:00:00",""
"1547506","21.688","0.002","9.136","0.0009","30.698","0.003","90","","90","","90","","6082.5","1","213","2","213.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H33 N O7 S -","- C34 H33 N O7 S -","- C272 H264 N8 O56 S8 -","8","2","","Chen, Junlong; Huang, You","Phosphine-Catalyzed Sequential [4 + 3] Domino Annulation/Allylic Alkylation Reaction of MBH Carbonates: Efficient Construction of Seven-Membered Heterocycles.","Organic letters","2017","19","20","5609","5612","10.1021/acs.orglett.7b02742","","","0.71073","MoKα","","0.0788","0.0749","","","0.1934","0.1995","","","","","","1.031","","","","has coordinates","202819","2020-10-21","18:00:00",""
"1547507","11.0625","0.0012","8.6759","0.001","17.0878","0.0019","90","","107.297","0.003","90","","1565.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 F3 N O3 S -","- C12 H22 F3 N O3 S -","- C48 H88 F12 N4 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0446","0.035","","","0.085","0.0913","","","","","","1.102","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547508","13.4671","0.0011","8.2755","0.0007","20.6849","0.0018","90","","100.909","0.005","90","","2263.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 F3 N3 O3 S -","- C19 H34 F3 N3 O3 S -","- C76 H136 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0816","0.0502","","","0.1135","0.1346","","","","","","1.052","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547509","10.299","0.002","8.3668","0.0017","29.872","0.006","90","","92.79","0.03","90","","2571","0.9","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H42 F3 N3 O3 S -","- C23 H42 F3 N3 O3 S -","- C92 H168 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0867","0.0574","","","0.1511","0.1743","","","","","","1.08","","","","has coordinates,has disorder","202831","2020-10-21","18:00:00",""
"1547510","13.4463","0.0006","8.2683","0.0003","20.7728","0.0009","90","","101.259","0.003","90","","2265.03","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 F3 N3 O3 S -","- C19 H33 F3 N3 O3 S -","- C76 H132 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","x-ray","0.71073","MoKα","","0.0641","0.0423","","","0.0993","0.1104","","","","","","1.027","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547511","17.684","0.004","17.465","0.004","33.978","0.007","90","","90","","90","","10494","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H41 F3 N3 O3 S -","- C23 H41 F3 N3 O3 S -","- C368 H656 F48 N48 O48 S16 -","16","2","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.1783","0.0911","","","0.2157","0.2621","","","","","","0.886","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547512","15.6706","0.0009","12.5278","0.0006","14.3707","0.0008","90","","110.805","0.006","90","","2637.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F6 N3 O6 S2 -","- C20 H33 F6 N3 O6 S2 -","- C80 H132 F24 N12 O24 S8 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.0365","0.0334","","","0.0816","0.0836","","","","","","1.033","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547513","23.095","0.002","13.2861","0.0012","10.6916","0.001","90","","90","","90","","3280.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 F6 N4 O6 S2 -","- C26 H44 F6 N4 O6 S2 -","- C104 H176 F24 N16 O24 S8 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","x-ray","0.71073","MoKα","","0.0675","0.0471","","","0.0986","0.1073","","","","","","1.019","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547514","7.3581","0.0006","9.0853","0.0007","9.4911","0.0007","108.041","0.002","101.319","0.002","98.946","0.002","575.42","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(8-ethyl-5,6,7,8-tetrahydroindolizin-8-yl)propiolic acid","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Shemet, Andrej; Carreira, Erick M.","Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution.","Organic letters","2017","19","20","5529","5532","10.1021/acs.orglett.7b02619","","x-ray","0.71073","MoKα","","0.0565","0.0442","","","0.1091","0.1175","","","","","","1.026","","","","has coordinates","202837","2020-10-21","18:00:00",""
"1547515","8.3072","0.0007","23.509","0.002","8.9287","0.0008","90","","98.124","0.002","90","","1726.2","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R)-3a-ethyl-(methoxymethyl)-1,2,3,3a,4,5-hexahydrobenzo[2,3]azonino[6,5,4-hi]indolizin-6(7H)-one","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","","Shemet, Andrej; Carreira, Erick M.","Total Synthesis of (-)-Rhazinilam and Formal Synthesis of (+)-Eburenine and (+)-Aspidospermidine: Asymmetric Cu-Catalyzed Propargylic Substitution.","Organic letters","2017","19","20","5529","5532","10.1021/acs.orglett.7b02619","","x-ray","0.71073","MoKα","","0.0601","0.0434","","","0.1095","0.1191","","","","","","1.02","","","","has coordinates","202837","2020-10-21","18:00:00",""
"1547516","20.025","0.004","19.663","0.004","24.499","0.005","90","","90","","90","","9647","3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Dy Fe2 N4 Si4 -","- C44 H76 Dy Fe2 N4 Si4 -","- C352 H608 Dy8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.065","0.0376","","","0.0753","0.0947","","","","","","1.125","","","","has coordinates,has disorder","201572","2020-10-21","18:00:00",""
"1547517","19.7942","0.0016","19.8223","0.0016","24.603","0.002","90","","90","","90","","9653.4","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Er Fe2 N4 Si4 -","- C44 H76 Er Fe2 N4 Si4 -","- C352 H608 Er8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.1587","0.0742","","","0.1491","0.1847","","","","","","0.924","","","","has coordinates","201572","2020-10-21","18:00:00",""
"1547518","20.271","0.003","13.329","0.002","19.582","0.003","90","","106.9","0.002","90","","5062.4","1.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 Fe5 N Na O19 P -","- C43 H43 Fe5 N Na O19 P -","- C172 H172 Fe20 N4 Na4 O76 P4 -","4","1","","Loewen, Natalia D.; Neelakantan, Taruna V.; Berben, Louise A.","Renewable Formate from C-H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts.","Accounts of chemical research","2017","50","9","2362","2370","10.1021/acs.accounts.7b00302","","","0.71073","MoKα","","0.0951","0.0715","","","0.1452","0.1557","","","","","","1.238","","","","has coordinates,has disorder","201594","2020-10-21","18:00:00",""
"1547519","12.1734","0.0005","11.7178","0.0004","15.5279","0.0006","90","","110.903","0.002","90","","2069.21","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H39 F2 N5 O3 -","- C38 H39 F2 N5 O3 -","- C76 H78 F4 N10 O6 -","2","1","","Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan","Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.","Journal of medicinal chemistry","2017","60","22","9400","9406","10.1021/acs.jmedchem.7b01243","","","1.54178","CuKα","","0.0962","0.0881","","","0.2507","0.2672","","","","","","1.089","","","","has coordinates","203986","2020-10-21","18:00:00",""
"1547520","16.6578","0.0011","9.9005","0.0007","12.3571","0.0008","90","","102.887","0.004","90","","1986.6","0.2","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0732","0.0652","","","0.1823","0.192","","","","","","1.021","","","","has coordinates","201651","2020-10-21","18:00:00",""
"1547521","7.867","0.0001","11.4726","0.0002","10.1815","0.0001","90","","93.641","0.001","90","","917.08","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0341","0.034","","","0.0914","0.0916","","","","","","1.05","","","","has coordinates","201652","2020-10-21","18:00:00",""
"1547522","10.021","0.0001","13.4995","0.0002","26.1852","0.0004","90","","90","","90","","3542.29","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C168 H224 O24 -","8","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0374","0.0349","","","0.085","0.0864","","","","","","1.065","","","","has coordinates","201653","2020-10-21","18:00:00",""
"1547523","17.907","0.008","7.805","0.003","25.346","0.011","90","","92.386","0.009","90","","3539","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C152 H104 N40 -","8","1","","Philip, Abbey M.; Kuriakose, Febin; Hariharan, Mahesh","Unsolicited Photoexcited-State Pathways Relegate the Long-Lived Charge Separation in Self-Assembled Nucleobase‒Arene Conjugate","The Journal of Physical Chemistry C","2017","121","42","23259","","10.1021/acs.jpcc.7b06660","","","0.71073","MoKα","","0.1304","0.0549","","","0.1442","0.1865","","","","","","0.987","","","","has coordinates","202766","2020-10-21","18:00:00",""
"1547524","25.054","0.005","17.452","0.004","26.296","0.006","90","","90","","90","","11498","4","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8 -","- C22.784 H30.48 Ag4 N1.696 Na6.964 Ni2 O35.696 S8 -","- C182.272 H243.84 Ag32 N13.568 Na55.712 Ni16 O285.568 S64 -","8","1","","Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman","Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization.","The journal of physical chemistry. A","2017","121","28","5324","5331","10.1021/acs.jpca.7b04669","","","0.71073","MoKα","","0.1238","0.102","","","0.2274","0.2384","","","","","","1.147","","","","has coordinates,has disorder","201658","2020-10-21","18:00:00",""
"1547525","8.1458","0.0013","14.503","0.003","15.696","0.003","89.66","0.005","89.057","0.006","76.492","0.006","1802.8","0.6","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C39 H34 F6 N2 O7 S2 -","- C39 H34 F6 N2 O7 S2 -","- C78 H68 F12 N4 O14 S4 -","2","1","","Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications.","The journal of physical chemistry. A","2017","121","31","5842","5855","10.1021/acs.jpca.7b06057","","","0.71073","MoKα","","0.1099","0.0726","","","0.1798","0.2063","","","","","","1.033","","","","has coordinates","201659","2020-10-21","18:00:00",""
"1547526","13.703","0.001","22.2261","0.0015","23.066","0.0016","90","","90","","90","","7025.1","0.9","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C35 H31 F12 N3 O P2 -","- C35 H31 F12 N3 O P2 -","- C280 H248 F96 N24 O8 P16 -","8","1","","Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications.","The journal of physical chemistry. A","2017","121","31","5842","5855","10.1021/acs.jpca.7b06057","","","0.71073","MoKα","","0.0892","0.0623","","","0.1546","0.1753","","","","","","1.029","","","","has coordinates,has disorder","201660","2020-10-21","18:00:00",""
"1547527","13.794","0.002","7.4068","0.0013","15.014","0.002","90","","99.751","0.004","90","","1511.8","0.4","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H30 Br F N2 O8 S -","- C31 H30 Br F N2 O8 S -","- C62 H60 Br2 F2 N4 O16 S2 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71075","MoKα","","0.0259","0.0215","","","0.0407","0.0411","","","","","","0.873","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547528","7.762","0.006","12.126","0.009","14.58","0.012","100.941","0.009","98.338","0.015","93.2","0.011","1328.2","1.8","113","2","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Br Cl N2 O6 S -","- C27 H22 Br Cl N2 O6 S -","- C54 H44 Br2 Cl2 N4 O12 S2 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71073","MoKα","","0.0676","0.0481","","","0.1193","0.1289","","","","","","1.052","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547529","8.275","0.006","22.39","0.018","9.224","0.007","90","","109.92","0.011","90","","1607","2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 N O2 P2 -","- C39 H35 N O2 P2 -","- C78 H70 N2 O4 P4 -","2","1","","Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie","Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.","Organic letters","2017","19","20","5637","5640","10.1021/acs.orglett.7b02800","","","0.71073","MoKα","","0.0452","0.0367","","","0.0846","0.0882","","","","","","0.997","","","","has coordinates","202825","2020-10-21","18:00:00",""
"1547530","7.1898","0.0002","19.2245","0.0004","7.5937","0.0002","90","","113.318","0.003","90","","963.87","0.05","293.02","0.1","293.02","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N2 O -","- C10 H7 Br N2 O -","- C40 H28 Br4 N8 O4 -","4","1","","Wang, Qing-Qing; Xu, Kun; Jiang, Yang-Ye; Liu, Yong-Guo; Sun, Bao-Guo; Zeng, Cheng-Chu","Electrocatalytic Minisci Acylation Reaction of N-Heteroarenes Mediated by NH4I.","Organic letters","2017","19","20","5517","5520","10.1021/acs.orglett.7b02589","","","1.54184","CuKα","","0.0428","0.0394","","","0.1087","0.1154","","","","","","1.036","","","","has coordinates","202828","2020-10-21","18:00:00",""
"1547531","20.1746","0.0012","20.4429","0.0012","34.225","0.002","87.8191","0.0017","73.8816","0.0016","72.2845","0.0016","12900.8","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","2","","- C262 H348 Ag8 Cl12 Cu8 -","- C262 H348 Ag8 Cl12 Cu8 -","- C524 H696 Ag16 Cl24 Cu16 -","2","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.0846","0.0803","","","0.2342","0.24","","","","","","1.047","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547532","20.2863","0.0014","25.3095","0.0017","30.667","0.002","88.693","0.001","83.335","0.001","77.746","0.001","15282.8","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","4","","- C328 H396 Ag4 Au8 Cl12 Cu4 -","- C328 H396 Ag4 Au8 Cl12 Cu4 -","- C656 H792 Ag8 Au16 Cl24 Cu8 -","2","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1018","0.0896","","","0.2441","0.2564","","","","","","1.016","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547533","80.2","0.004","18.8497","0.001","51.113","0.003","90","","128.112","0.002","90","","60796","6","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C6-FluoAuAgCu","","- C324 H396 Ag2.88 Au6 Cu3.12 -","- C324 H396 Ag2.8757 Au6 Cu3.1243 -","- C2592 H3168 Ag23.0056 Au48 Cu24.9944 -","8","1","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1145","0.0827","","","0.1936","0.2263","","","","","","1.056","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547534","80.362","0.003","18.8467","0.0008","51.284","0.002","90","","128.299","0.0014","90","","60956","4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","C6_FLuoAuAg","","- C162 H198 Ag3 Au3 -","- C162 H198 Ag3 Au3 -","- C2592 H3168 Ag48 Au48 -","16","2","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.34139","GaKα","","0.1568","0.1051","","","0.2022","0.232","","","","","","1.144","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547535","79.645","0.003","18.8256","0.0008","50.821","0.002","90","","127.383","0.002","90","","60548","4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","C6_FLuoAuCu","","- C162 H198 Au3 Cu3 -","- C162 H198 Au3 Cu3 -","- C2592 H3168 Au48 Cu48 -","16","2","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.1252","0.0888","","","0.1708","0.198","","","","","","1.045","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547536","24.72","0.0011","30.9053","0.0014","52.473","0.002","90","","90","","90","","40088","3","220","","220.02","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","3","","- C192 H252 Au6 Cu6 -","- C192 H252 Au6 Cu6 -","- C1536 H2016 Au48 Cu48 -","8","","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","0.71073","MoKα","","0.1086","0.0663","","","0.1793","0.2274","","","","","","1.054","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547537","28.818","0.003","12.9632","0.0013","25.496","0.003","90","","117.086","0.003","90","","8480","1.6","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tBuAuAg51","","- C72 H108 Ag1.8 Au10.2 -","- C72 H108 Ag1.8068 Au10.1932 -","- C288 H432 Ag7.2272 Au40.7728 -","4","0.5","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","1.54178","CuKα","","0.0886","0.0866","","","0.2404","0.2438","","","","","","1.048","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1547538","5.8614","0.001","27.535","0.005","5.9676","0.001","90","","119.351","0.002","90","","839.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H9 N O S -","- C9 H9 N O S -","- C36 H36 N4 O4 S4 -","4","2","","Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B.","A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC04083K","","","1.54178","CuKα","","0.05","0.05","","","0.1283","0.1283","","","","","","1.085","","","","has coordinates","201669","2020-10-21","18:00:00",""
"1547539","16.354","0.006","5.37","0.002","17.896","0.007","90","","92.655","0.008","90","","1570","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 S2 -","- C15 H16 N2 O2 S2 -","- C60 H64 N8 O8 S8 -","4","1","","Malik, Guillaume; Swyka, Robert A.; Tiwari, Virendra K.; Fei, Xiang; Applegate, Gregory A.; Berkowitz, David B.","A Thiocyanopalladation/Carbocyclization Transformation Identified Through Enzymatic Screening: Stereocontrolled Tandem C-SCN and C-C Bond Formation","Chem. Sci.","2017","","","","","10.1039/C7SC04083K","","","0.71073","MoKα","","0.101","0.0616","","","0.1407","0.1608","","","","","","0.998","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1547540","14.21","0.006","14.561","0.001","14.996","0.0017","90","","110.079","0.006","90","","2914.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H31 Br2 Cl N2 Ni -","- C26.4999 H30.9998 Br2 Cl0.9998 N2 Ni -","- C106 H123.999 Br8 Cl3.9992 N8 Ni4 -","4","1","","D'Auria, Ilaria; Milione, Stefano; Caruso, Tonino; Balducci, Gabriele; Pellecchia, Claudio","Synthesis of hyperbranched low molecular weight polyethylene oils by an iminopyridine nickel(II) catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY01215B","","","0.7","synchrotron","","0.0442","0.0399","","","0.1078","0.1127","","","","","","1.036","","","","has coordinates,has disorder","201691","2020-10-21","18:00:00",""
"1547541","18.576","0.004","18.576","0.004","7.3728","0.0018","90","","90","","90","","2544.1","1","100","2","100","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C19.6 H23.4 Co N6.2 O3.2 -","- C16 H12 Co N5 O2 -","- C64 H48 Co4 N20 O8 -","4","0.25","","Basu, Tathamay; Jesche, Anton; Denysenko, Dmytro; Bredenkoetter, Bjoern; Grzywa, Maciej; Volkmer, Dirk; Loidl, Alois; Krohns, Stephan","Magnetodielectric coupling in a non-perovskite metal-organic framework","Mater. Horiz.","2017","","","","","10.1039/C7MH00716G","","","0.71073","MoKα","","0.2073","0.1652","","","0.3527","0.3728","","","","","","1.206","","","","has coordinates","201697","2020-10-21","18:00:00",""
"1547542","20.4648","0.0008","20.4648","0.0008","73.392","0.003","90","","90","","120","","26619.2","1.8","180","0.1","180","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C108 H111 N3 O6 -","- C108 H111 N3 O6 -","- C1296 H1332 N36 O72 -","12","","","Chen, Zhongtao; Zhao, Xiangxiang; Gong, Xinyi; Xu, Di; Ma, Yuguo","Macrocyclic Trinuclear Nickel Phenoxyimine Catalysts for High-Temperature Polymerization of Ethylene and Isospecific Polymerization of Propylene","Macromolecules","2017","50","17","6561","","10.1021/acs.macromol.7b00996","","","0.71073","MoKα","","0.1288","0.0661","","","0.1723","0.1909","","","","","","0.891","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547543","12.3593","0.0005","16.1724","0.0007","24.4754","0.001","73.141","0.002","77.708","0.002","86.4","0.002","4574.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C85 H124 K2 Nd2 Si8 -","- C85 H124.04 K2 Nd2 Si8 -","- C170 H248.08 K4 Nd4 Si16 -","2","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0742","0.0433","","","0.0987","0.1146","","","","","","1.023","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547544","14.7082","0.001","17.966","0.001","15.8421","0.0011","90","","99.754","0.002","90","","4125.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Nd O Si2 -","- C42 H63 Nd O Si2 -","- C168 H252 Nd4 O4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.1091","0.0473","","","0.0793","0.0983","","","","","","0.981","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547545","17.7814","0.0008","16.2167","0.0006","17.8483","0.0007","90","","97.383","0.002","90","","5104","0.4","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Nd O Si2 -","- C44 H51 Nd O Si2 -","- C176 H204 Nd4 O4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0763","0.04","","","0.082","0.0944","","","","","","0.95","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547546","17.331","0.003","10.5012","0.0017","22.516","0.007","90","","100.695","0.012","90","","4026.6","1.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H63 La O Si2 -","- C42 H63 La O Si2 -","- C168 H252 La4 O4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0947","0.0571","","","0.098","0.1076","","","","","","1.045","","","","has coordinates,has disorder","201699","2020-10-21","18:00:00",""
"1547547","14.6823","0.001","17.9618","0.0011","15.83","0.0011","90","","99.703","0.002","90","","4115","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 O Si2 Sm -","- C42 H63 O Si2 Sm -","- C168 H252 O4 Si8 Sm4 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0535","0.0393","","","0.0894","0.0974","","","","","","1.073","","","","has coordinates,has disorder","201699","2020-10-21","18:00:00",""
"1547548","14.7296","0.0011","17.9312","0.0011","15.8834","0.0012","90","","99.596","0.003","90","","4136.4","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 O Pr Si2 -","- C42 H63 O Pr Si2 -","- C168 H252 O4 Pr4 Si8 -","4","1","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0766","0.0515","","","0.0946","0.1022","","","","","","1.103","","","","has coordinates","201699","2020-10-21","18:00:00",""
"1547549","9.5747","0.0003","17.4837","0.0005","21.917","0.0008","90","","90","","90","","3668.9","0.2","150","2","150","2","","","","","","","synthesis as described","4","P b c m","-P 2c 2b","57","","","","- C38 H55 Si2 Y -","- C38 H55 Si2 Y -","- C152 H220 Si8 Y4 -","4","0.5","","Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni","Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study","Macromolecules","2017","50","17","6539","","10.1021/acs.macromol.7b00853","","x-ray","0.71073","MoKα","","0.0617","0.0401","","","0.0933","0.102","","","","","","1.02","","","","has coordinates,has disorder","201699","2020-10-21","18:00:00",""
"1547550","8.6067","0.0001","19.0255","0.0002","28.0976","0.0002","90","","90","","90","","4600.89","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 F N6 O10 -","- C43 H65 F N6 O10 -","- C172 H260 F4 N24 O40 -","4","1","","Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing","Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin","Organic Process Research & Development","2017","21","9","1371","","10.1021/acs.oprd.7b00201","","","1.54178","CuKα","","0.0397","0.0342","","","0.0827","0.0862","","","","","","1.051","","","","has coordinates","201700","2020-10-21","18:00:00",""
"1547551","7.5278","0.0006","12.6117","0.0008","13.7183","0.001","90","","90","","90","","1302.39","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","DIPEA-Promoted Reaction of 2-Nitrochalcones with Elemental Sulfur: An Unusual Approach to 2-Benzoylbenzothiophenes.","Organic letters","2017","19","18","4858","4860","10.1021/acs.orglett.7b02321","","","1.54187","CuKα","","0.0696","0.0544","","","0.1299","0.1469","","","","","","1.086","","","","has coordinates","201702","2020-10-21","18:00:00",""
"1547552","14.952","0.003","18.354","0.004","9.4968","0.0019","90","","90","","90","","2606.2","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","1","","Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.","Organic letters","2017","19","18","4718","4721","10.1021/acs.orglett.7b01969","","","0.71073","MoKα","","0.1369","0.115","","","0.2576","0.273","","","","","","1.311","","","","has coordinates","201703","2020-10-21","18:00:00",""
"1547553","16.4116","0.0005","5.5613","0.0002","17.4699","0.0005","90","","105.341","0.003","90","","1537.66","0.09","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18.74 N2 O1.37 -","- C18 H18 N2 O1.369 -","- C72 H72 N8 O5.476 -","4","1","","Zhu, Nengbo; Wang, Ting; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes.","Organic letters","2017","19","18","4718","4721","10.1021/acs.orglett.7b01969","","","1.54184","CuKα","","0.0425","0.0347","","","0.0941","0.1011","","","","","","1.018","","","","has coordinates,has disorder","201704","2020-10-21","18:00:00",""
"1547554","7.3313","0.0002","19.6104","0.0005","15.1854","0.0004","90","","98.05","0.002","90","","2161.69","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 O P -","- C26 H29 O P -","- C104 H116 O4 P4 -","4","1","","Hu, Zhengsong; Tian, Rongqiang; Zhao, Kang; Liu, Yanjie; Duan, Zheng; Mathey, François","Generation and Trapping of a 1-Phosphafulvene: An Illustration of the P═C/C═C Analogy.","Organic letters","2017","19","18","5004","5006","10.1021/acs.orglett.7b02574","","","1.5418","CuKα","","0.0539","0.0503","","","0.1473","0.1529","","","","","","1.027","","","","has coordinates","201705","2020-10-21","18:00:00",""
"1547555","5.5574","0.0002","11.2786","0.0004","16.5421","0.0006","90","","99.257","0.001","90","","1023.35","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O3 -","- C23 H23 Br O3 -","- C46 H46 Br2 O6 -","2","1","","Cheng, Yuyu; Han, Yuzhe; Li, Pengfei","Organocatalytic Enantioselective [1 + 4] Annulation of Morita-Baylis-Hillman Carbonates with Electron-Deficient Olefins: Access to Chiral 2,3-Dihydrofuran Derivatives.","Organic letters","2017","19","18","4774","4777","10.1021/acs.orglett.7b02144","","x-ray","1.54178","CuKα","","0.0359","0.0351","","","0.0983","0.099","","","","","","1.133","","","","has coordinates,has disorder","201706","2020-10-21","18:00:00",""
"1547556","9.934","0.002","22.154","0.004","8.9741","0.0018","90","","94.349","0.005","90","","1969.3","0.7","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun","Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes.","Organic letters","2017","19","18","4710","4713","10.1021/acs.orglett.7b01960","","","0.71073","MoKα","","0.1387","0.0623","","","0.1459","0.1816","","","","","","0.985","","","","has coordinates","201707","2020-10-21","18:00:00",""
"1547557","7.3961","0.0005","14.159","0.002","14.7965","0.001","113.245","0.005","93.815","0.002","94.009","0.004","1412.7","0.2","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H32 N2 O3 -","- C37 H32 N2 O3 -","- C74 H64 N4 O6 -","2","1","","Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun","Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes.","Organic letters","2017","19","18","4710","4713","10.1021/acs.orglett.7b01960","","","1.54178","CuKα","","0.0412","0.0396","","","0.105","0.1067","","","","","","1.111","","","","has coordinates","201708","2020-10-21","18:00:00",""
"1547558","9.8615","0.0008","12.1461","0.001","14.1071","0.0012","90","","107.15","0.003","90","","1614.6","0.2","223","2","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Lee, Dabon; Kim, Sang Min; Hirao, Hajime; Hong, Soon Hyeok","Gold(I)/Gold(III)-Catalyzed Selective Synthesis of N-Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways.","Organic letters","2017","19","18","4734","4737","10.1021/acs.orglett.7b02022","","","0.71073","MoKα","","0.1047","0.0544","","","0.1104","0.129","","","","","","1.027","","","","has coordinates","201709","2020-10-21","18:00:00",""
"1547559","9.82867","0.00019","6.11703","0.00012","11.6406","0.0002","90","","100.472","0.0019","90","","688.2","0.02","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0268","0.0264","","","0.0763","0.0768","","","","","","1.151","","","","has coordinates","201710","2020-10-21","18:00:00",""
"1547560","8.22602","0.00016","15.4712","0.0003","10.0483","0.0002","90","","103.364","0.002","90","","1244.18","0.04","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.035","0.0305","","","0.0753","0.0787","","","","","","1.04","","","","has coordinates","201711","2020-10-21","18:00:00",""
"1547561","8.1779","0.0002","8.8079","0.0002","15.2085","0.0003","90","","90","","90","","1095.47","0.04","122.99","0.1","122.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Q075","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0258","0.024","","","0.06","0.0611","","","","","","1.078","","","","has coordinates","201712","2020-10-21","18:00:00",""
"1547562","16.4819","0.0002","5.7733","0.0001","14.4387","0.0002","90","","106.49","0.001","90","","1317.4","0.03","123","0.1","123","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0738","0.0751","","","","","","1.047","","","","has coordinates,has disorder","201713","2020-10-21","18:00:00",""
"1547563","10.6766","0.0009","10.7779","0.0008","15.8861","0.0009","79.719","0.005","73.665","0.006","77.959","0.007","1701.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Br N4 O3 -","- C40 H35 Br N4 O3 -","- C80 H70 Br2 N8 O6 -","2","1","","Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates.","Organic letters","2017","19","18","4714","4717","10.1021/acs.orglett.7b01961","","","0.71073","MoKα","","0.072","0.0502","","","0.1084","0.1201","","","","","","1.027","","","","has coordinates","201714","2020-10-21","18:00:00",""
"1547564","9.704","0.003","18.77","0.005","17","0.004","90","","102.647","0.005","90","","3021.3","1.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O2 -","- C39 H34 N4 O2 -","- C156 H136 N16 O8 -","4","1","","Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates.","Organic letters","2017","19","18","4714","4717","10.1021/acs.orglett.7b01961","","","0.71073","MoKα","","0.103","0.0785","","","0.1164","0.1241","","","","","","1.208","","","","has coordinates,has disorder","201715","2020-10-21","18:00:00",""
"1547565","8.198","0.003","10.441","0.004","13.934","0.005","101.832","0.007","96.687","0.009","104.041","0.008","1115","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","- C46 H11 Cl5 F20 S4 -","1","1","","Panchal, Santosh P.; Anand, Venkataramanarao G.","Oxidative Transformation of a Tetrathia S-Confused Isophlorin into Porphyrin Cation.","Organic letters","2017","19","18","4854","4857","10.1021/acs.orglett.7b02317","","","0.71073","MoKα","","0.1227","0.0843","","","0.2099","0.2298","","","","","","1.342","","","","has coordinates","201716","2020-10-21","18:00:00",""
"1547566","3.8868","0.0003","5.4329","0.0005","10.8693","0.001","90","","97.068","0.005","90","","227.78","0.03","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","1","","Rozen, Shlomo; Shaffer, Avshalom","Synthesis of N,N-Dioxopyridazines.","Organic letters","2017","19","18","4707","4709","10.1021/acs.orglett.7b02310","","","0.71073","MoKα","","0.0316","0.0292","","","0.071","0.0731","","","","","","1.092","","","","has coordinates","201717","2020-10-21","18:00:00",""
"1547567","7.8451","0.0004","8.3042","0.0004","11.06","0.0006","76.583","0.002","88.533","0.002","75.925","0.002","679.46","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C30 H28 O6 S2 -","2","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0451","0.0414","","","0.1217","0.1269","","","","","","1.032","","","","has coordinates","201718","2020-10-21","18:00:00",""
"1547568","5.7624","0.0001","22.9736","0.0006","9.5587","0.0002","90","","106.003","0.001","90","","1216.37","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O -","- C15 H13 Cl O -","- C60 H52 Cl4 O4 -","4","2","","Xia, Jingzhao; Nie, Yu; Yang, Guoqiang; Liu, Yangang; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of 2H-Chromenes: A Highly Enantioselective Approach to Isoflavan Derivatives.","Organic letters","2017","19","18","4884","4887","10.1021/acs.orglett.7b02341","","","1.54178","CuKα","","0.0251","0.0244","","","0.0738","0.0749","","","","","","0.661","","","","has coordinates","201719","2020-10-21","18:00:00",""
"1547569","10.179","0.017","10.178","0.017","14.35","0.02","95.75","0.012","95.75","0.02","107.27","0.02","1399","4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 P2 S2 -","- C33 H28 P2 S2 -","- C66 H56 P4 S4 -","2","1","","Otomura, Nobutaka; Okugawa, Yuto; Hirano, Koji; Miura, Masahiro","vic-Diphosphination of Alkenes with Silylphosphine under Visible-Light-Promoted Photoredox Catalysis.","Organic letters","2017","19","18","4802","4805","10.1021/acs.orglett.7b02223","","","0.71075","MoKα","","0.0663","0.057","","","0.106","0.1099","","","","","","1.206","","","","has coordinates,has disorder","201720","2020-10-21","18:00:00",""
"1547570","10.1944","0.0002","6.53348","0.00013","13.5748","0.0003","90","","95.12","0.002","90","","900.54","0.03","125","11","125","11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Xu, Bo; Xun, Wen; Wang, Tingzhong; Qiu, Fayang G.","Total Synthesis of (+)-Aplykurodinone-1.","Organic letters","2017","19","18","4861","4863","10.1021/acs.orglett.7b02350","","x-ray","1.54184","CuKα","","0.0467","0.0419","","","0.105","0.1101","","","","","","1.071","","","","has coordinates","201721","2020-10-21","18:00:00",""
"1547571","10.8093","0.0007","12.3197","0.0011","14.2754","0.0008","88.759","0.006","86.694","0.005","66.762","0.007","1743.9","0.2","119.97","0.18","119.97","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu N4 O10 -","- C32 H50 Cu N4 O10 -","- C64 H100 Cu2 N8 O20 -","2","1","","Tan, Guangying; Zhang, Luoqiang; Liao, Xingrong; Shi, Yang; Wu, Yimin; Yang, Yudong; You, Jingsong","Copper- or Nickel-Enabled Oxidative Cross-Coupling of Unreactive C(sp(3))-H Bonds with Azole C(sp(2))-H Bonds: Rapid Access to β-Azolyl Propanoic Acid Derivatives.","Organic letters","2017","19","18","4830","4833","10.1021/acs.orglett.7b02265","","x-ray","0.71073","MoKα","","0.1242","0.1055","","","0.2801","0.2911","","","","","","1.126","","","","has coordinates","201722","2020-10-21","18:00:00",""
"1547572","7.4193","0.001","12.1143","0.0013","17.167","0.002","90","","90","","90","","1543","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Br O -","- C17 H23 Br O -","- C68 H92 Br4 O4 -","4","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1005","0.0469","","","0.0795","0.0918","","","","","","1.007","","","","has coordinates","201723","2020-10-21","18:00:00",""
"1547573","7.4409","0.0005","10.1018","0.0012","11.3589","0.0009","68.534","0.009","75.635","0.007","69.502","0.009","737.19","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H23 Br -","- C17 H23 Br -","- C34 H46 Br2 -","2","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.0393","0.0314","","","0.073","0.0765","","","","","","1.033","","","","has coordinates","201724","2020-10-21","18:00:00",""
"1547574","19.772","0.002","6.1368","0.0007","23.6786","0.0019","90","","94.152","0.008","90","","2865.5","0.5","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H21 Br -","- C16 H21 Br -","- C128 H168 Br8 -","8","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1255","0.0557","","","0.0923","0.1114","","","","","","1.008","","","","has coordinates","201725","2020-10-21","18:00:00",""
"1547575","11.5902","0.0018","7.8925","0.0011","25.534","0.004","90","","96.954","0.003","90","","2318.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","2","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0868","0.0499","","","0.1151","0.1374","","","","","","1.007","","","","has coordinates","201726","2020-10-21","18:00:00",""
"1547576","7.04","0.009","7.063","0.009","10.762","0.013","83.24","0.02","79.64","0.02","79.5","0.02","515.6","1.1","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","- C21 H19 Br N2 O6 -","1","1","","Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen","Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.","Organic letters","2017","19","18","4896","4899","10.1021/acs.orglett.7b02378","","","0.71073","MoKα","","0.0835","0.077","","","0.2095","0.2247","","","","","","1.062","","","","has coordinates","201727","2020-10-21","18:00:00",""
"1547577","13.7489","0.0006","12.7062","0.0005","34.5595","0.0014","90","","90","","90","","6037.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C37 H26 O2 S -","- C37 H26 O2 S -","- C296 H208 O16 S8 -","8","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.0974","0.0561","","","0.1262","0.1424","","","","","","1.091","","","","has coordinates","201728","2020-10-21","18:00:00",""
"1547578","11.6687","0.0008","8.3221","0.0005","12.6959","0.0008","90","","101.677","0.002","90","","1207.36","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Wang, Ming; Chen, Shihao; Jiang, Xuefeng","Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.","Organic letters","2017","19","18","4916","4919","10.1021/acs.orglett.7b02388","","","0.71073","MoKα","","0.0386","0.0329","","","0.087","0.092","","","","","","1.039","","","","has coordinates","201729","2020-10-21","18:00:00",""
"1547579","5.539","0.0002","15.1853","0.0006","24.1953","0.0012","90","","91.286","0.001","90","","2034.59","0.15","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 O7 -","- C27 H18 O7 -","- C108 H72 O28 -","4","1","","Sasaki, Sayaka; Azuma, Eriko; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Formation of Phenalenone Skeleton by an Unusual Rearrangement Reaction.","Organic letters","2017","19","18","4846","4849","10.1021/acs.orglett.7b02305","","","0.71075","MoKα","","0.107","0.0739","","","0.1825","0.2061","","","","","","1.08","","","","has coordinates","201730","2020-10-21","18:00:00",""
"1547580","5.0624","0.0007","10.961","0.003","26.361","0.004","90","","90","","90","","1462.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O3 -","- C15 H20 F N O3 -","- C60 H80 F4 N4 O12 -","4","1","","Zhang, Wandi; Chen, Weijie; Xiao, Hongde; Krische, Michael J.","Carbonyl anti-(α-Amino)allylation via Ruthenium Catalyzed Hydrogen Autotransfer: Use of an Acetylenic Pyrrole as an Allylmetal Pronucleophile.","Organic letters","2017","19","18","4876","4879","10.1021/acs.orglett.7b02336","","","1.54184","CuKα","","0.1075","0.0859","","","0.206","0.2259","","","","","","1.115","","","","has coordinates","201731","2020-10-21","18:00:00",""
"1547581","13.308","0.008","15.883","0.01","19.472","0.013","90","","90","","90","","4116","5","109","","109","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H42 Cl2 N4 Pd -","- C51 H42 Cl2 N4 Pd -","- C204 H168 Cl8 N16 Pd4 -","4","1","","Nozawa, Ryo; Shinokubo, Hiroshi","Synthesis and Properties of meso-Arylated Corrphycenes.","Organic letters","2017","19","18","4928","4931","10.1021/acs.orglett.7b02390","","","0.71073","MoKα","","0.0351","0.0316","","","0.101","0.1052","","","","","","0.913","","","","has coordinates","201732","2020-10-21","18:00:00",""
"1547582","15.3885","0.0017","7.1222","0.0008","30.3","0.004","90","","90","","90","","3320.9","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C152 H152 Br8 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0875","0.0721","","","0.1829","0.1948","","","","","","1.055","","","","has coordinates","201733","2020-10-21","18:00:00",""
"1547583","6.1299","0.0002","13.8742","0.0004","15.703","0.0004","90","","90","","90","","1335.5","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","1.54178","CuKα","","0.0489","0.0485","","","0.1667","0.1679","","","","","","1.1","","","","has coordinates","201734","2020-10-21","18:00:00",""
"1547584","13.7527","0.0013","9.8191","0.0009","22.826","0.002","90","","90","","90","","3082.4","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0432","0.0381","","","0.0967","0.1003","","","","","","1.015","","","","has coordinates","201735","2020-10-21","18:00:00",""
"1547585","6.1525","0.0011","9.8018","0.0017","10.5143","0.0019","99.556","0.002","103.113","0.002","102.27","0.002","587.94","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0449","0.0387","","","0.1133","0.118","","","","","","1.097","","","","has coordinates","201736","2020-10-21","18:00:00",""
"1547586","13.8893","0.0018","8.4698","0.0011","12.0582","0.0016","90","","107.287","0.002","90","","1354.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0745","0.0485","","","0.122","0.1407","","","","","","1.036","","","","has coordinates","201737","2020-10-21","18:00:00",""
"1547587","6.3959","0.0007","8.7834","0.001","17.916","0.002","90","","100.037","0.005","90","","991.08","0.19","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0352","0.0322","","","0.076","0.0779","","","","","","1.048","","","","has coordinates,has disorder","201738","2020-10-21","18:00:00",""
"1547588","6.3983","0.0006","8.7684","0.0009","17.9628","0.0018","90","","99.675","0.005","90","","993.43","0.17","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Mwenda, Edward T.; Nguyen, Hien M.","Enantioselective Synthesis of 1,2-Diamines Containing Tertiary and Quaternary Centers through Rhodium-Catalyzed DYKAT of Racemic Allylic Trichloroacetimidates.","Organic letters","2017","19","18","4814","4817","10.1021/acs.orglett.7b02256","","","0.71073","MoKα","","0.0454","0.0355","","","0.0818","0.0871","","","","","","1.021","","","","has coordinates,has disorder","201739","2020-10-21","18:00:00",""
"1547589","5.9123","0.0002","16.6068","0.0008","23.602","0.0008","90","","90","","90","","2317.35","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N3 O3 -","- C26 H21 Cl N3 O3 -","- C104 H84 Cl4 N12 O12 -","4","1","","Wang, Jie; Wang, Pengxin; Wang, Linqing; Li, Dan; Wang, Kezhou; Wang, Yuan; Zhu, Haiyong; Yang, Dongxu; Wang, Rui","Nickel-Mediated Asymmetric Allylic Alkylation between Nitroallylic Acetates and Acyl Imidazoles.","Organic letters","2017","19","18","4826","4829","10.1021/acs.orglett.7b02264","","x-ray","0.71073","MoKα","","0.083","0.0577","","","0.1117","0.1287","","","","","","1.054","","","","has coordinates","201740","2020-10-21","18:00:00",""
"1547590","8.8731","0.0013","9.0666","0.0013","15.314","0.002","91.196","0.004","99.999","0.003","115.544","0.003","1088.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-amino-3-(fluoro(trifluoromethoxy)methyl)isoxazole-4-carboxylate","","- C8 H8 F4 N2 O4 -","- C8 H8 F4 N2 O4 -","- C32 H32 F16 N8 O16 -","4","2","","Schmitt, Etienne; Bouvet, Sébastien; Pégot, Bruce; Panossian, Armen; Vors, Jean-Pierre; Pazenok, Sergii; Magnier, Emmanuel; Leroux, Frédéric R","Fluoroalkyl Amino Reagents for the Introduction of the Fluoro(trifluoromethoxy)methyl Group onto Arenes and Heterocycles.","Organic letters","2017","19","18","4960","4963","10.1021/acs.orglett.7b02444","","","0.71073","MoKα","","0.2389","0.1115","","","0.1872","0.231","","","","","","1.036","","","","has coordinates","201741","2020-10-21","18:00:00",""
"1547591","19.295","0.003","20.238","0.002","21.0495","0.0019","90.57","0.008","100.738","0.011","116.476","0.014","7188.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cu-P6","","","- C78 H64 Cl2 Cu2 P4 -","- C78 H64 Cl2 Cu2 P4 -","- C312 H256 Cl8 Cu8 P16 -","4","2","","You, Zhensheng; Li, Heng; Zhang, Lijun; Yu, Bing; Zhang, Jin; Wu, Xiaoming","A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous Metal‒Organic Framework","The Journal of Physical Chemistry C","2017","121","41","23072","","10.1021/acs.jpcc.7b07627","","","0.71073","MoKα","","0.2529","0.12","","","0.2434","0.3221","","","","","","1.012","","","","has coordinates","202765","2020-10-21","18:00:00",""
"1547592","12.8077","0.001","17.5384","0.0013","19.331","0.0014","90","","90","","90","","4342.3","0.6","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H59 N3 O2 Si2 Zn -","- C47 H59 N3 O2 Si2 Zn -","- C188 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0907","0.0789","","","0.184","0.1952","","","","","","1.033","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547593","11.2307","0.001","16.3927","0.0015","23.767","0.002","90","","90","","90","","4375.5","0.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 N3 O2 Si2 Zn -","- C48 H59 N3 O2 Si2 Zn -","- C192 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0632","0.0461","","","0.1051","0.1138","","","","","","1.001","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547594","12.8617","0.0011","16.661","0.0015","12.9222","0.0011","90","","116.765","0.002","90","","2472.4","0.4","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H63 N3 O2 Si2 Zn -","- C53 H63 N3 O2 Si2 Zn -","- C106 H126 N6 O4 Si4 Zn2 -","2","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0882","0.0433","","","0.0767","0.0894","","","","","","0.95","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547595","11.216","0.002","16.373","0.003","23.726","0.004","90","","90","","90","","4357","1.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 N3 O2 Si2 Zn -","- C48 H59 N3 O2 Si2 Zn -","- C192 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.1061","0.0513","","","0.0896","0.1039","","","","","","0.948","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547596","14.1487","0.0011","14.3923","0.0011","14.474","0.0011","73.384","0.001","63.551","0.001","62.883","0.002","2336","0.3","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H63 N3 O2 Si2 Zn -","- C52 H63 N3 O2 Si2 Zn -","- C104 H126 N6 O4 Si4 Zn2 -","2","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0904","0.0547","","","0.1278","0.1439","","","","","","1.031","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547597","9.856","0.0012","14.0642","0.0016","31.121","0.004","90","","99.082","0.002","90","","4259.8","0.9","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H55 N3 O2 Si2 Zn -","- C45 H55 N3 O2 Si2 Zn -","- C180 H220 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.1191","0.06","","","0.1141","0.133","","","","","","1.025","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547598","11.974","0.002","14.298","0.003","15.031","0.003","72.657","0.004","79.561","0.004","86.664","0.004","2415.7","0.8","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H57 N3 O2 Si2 Zn -","- C47 H57 N3 O2 Si2 Zn -","- C94 H114 N6 O4 Si4 Zn2 -","2","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.1264","0.0597","","","0.1131","0.1285","","","","","","0.846","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547599","9.4767","0.0016","15.378","0.002","10.8957","0.0019","90","","111.006","0.003","90","","1482.3","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O2 -","- C19 H17 Fe N O2 -","- C76 H68 Fe4 N4 O8 -","4","1","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0299","0.028","","","0.0708","0.0725","","","","","","1.042","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547600","6.067","0.004","13.753","0.01","17.502","0.012","90","","99.914","0.009","90","","1438.6","1.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe N O3 -","- C18 H13 Fe N O3 -","- C72 H52 Fe4 N4 O12 -","4","1","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0291","0.0263","","","0.0736","0.0754","","","","","","1.058","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547601","19.945","0.004","8.3402","0.0018","17.264","0.004","90","","91.165","0.005","90","","2871.2","1.1","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C152 H136 Fe8 N8 O8 -","8","2","","Liu, Yang; Xu, Jiancong; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Intramolecular Direct C-H Arylation via a Metallocenic Radical Pathway: Stereospecific Approach to Planar-Chiral Ferrocenes.","Organic letters","2017","19","20","5709","5712","10.1021/acs.orglett.7b02995","","","0.71073","MoKα","","0.0302","0.0251","","","0.067","0.0691","","","","","","1.028","","","","has coordinates","202829","2020-10-21","18:00:00",""
"1547602","5.5743","0.0006","8.0878","0.0011","12.3099","0.0011","107.2","0.01","93.657","0.008","103.638","0.01","509.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F2 N O2 -","- C11 H9 F2 N O2 -","- C22 H18 F4 N2 O4 -","2","1","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.0714","0.0557","","","0.1323","0.1474","","","","","","1.069","","","","has coordinates","202833","2020-10-21","18:00:00",""
"1547603","9.715","0.004","9.964","0.004","21.348","0.007","90.371","0.006","94.727","0.007","104.841","0.005","1989.9","1.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F3 N O2 -","- C24 H20 F3 N O2 -","- C96 H80 F12 N4 O8 -","4","2","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.1094","0.0913","","","0.1271","0.1329","","","","","","1.301","","","","has coordinates","202833","2020-10-21","18:00:00",""
"1547604","15.9119","0.0006","15.9119","0.0006","20.3939","0.0014","90","","90","","120","","4471.7","0.4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C9 H7 F2 N O4 -","- C9 H7 F2 N O4 -","- C162 H126 F36 N18 O72 -","18","3","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.102","0.079","","","0.2404","0.274","","","","","","0.993","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547605","12.455","0.005","6.376","0.002","16.642","0.006","90","","96.688","0.004","90","","1312.6","0.8","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N O4 -","- C13 H12 F3 N O4 -","- C52 H48 F12 N4 O16 -","4","1","","Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo","Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.","Organic letters","2017","19","20","5689","5692","10.1021/acs.orglett.7b02866","","","0.71073","MoKα","","0.0562","0.0516","","","0.1219","0.1251","","","","","","1.172","","","","has coordinates","202833","2020-10-21","18:00:00",""
"1547606","11.7846","0.0012","6.1519","0.0006","8.0708","0.0008","90","","92.61","0.007","90","","584.51","0.1","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","","Murai, Masahito; Iba, Shinji; Ota, Hiromi; Takai, Kazuhiko","Azulene-Fused Linear Polycyclic Aromatic Hydrocarbons with Small Bandgap, High Stability, and Reversible Stimuli Responsiveness.","Organic letters","2017","19","20","5585","5588","10.1021/acs.orglett.7b02729","","","0.71075","MoKα","","0.0998","0.0837","","","0.1826","0.1917","","","","","","1.134","","","","has coordinates","202835","2020-10-21","18:00:00",""
"1547607","6.04476","0.00008","13.4804","0.00017","26.4744","0.0003","90","","90","","90","","2157.29","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C100 H140 N12 O4 -","4","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0378","","","0.0957","0.0969","","","","","","1.045","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1547608","9.67127","0.00007","7.05127","0.00007","15.44464","0.00012","90","","93.4847","0.0006","90","","1051.3","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N O2 -","- C24 H35 N O2 -","- C48 H70 N2 O4 -","2","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0386","","","0.1023","0.1025","","","","","","1.042","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1547609","8.9555","0.0009","11.3673","0.0011","13.8592","0.0014","99.556","0.002","93.199","0.002","101.959","0.002","1355.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H35 S -","- C33 H35 S -","- C66 H70 S2 -","2","1","","Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua","Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells","Macromolecules","2017","50","20","7984","","10.1021/acs.macromol.7b01738","","","0.71073","MoKα","","0.1231","0.0858","","","0.2578","0.2967","","","","","","1.043","","","","has coordinates","203997","2020-10-21","18:00:00",""
"1547610","10.64","0.003","15.198","0.004","18.576","0.006","106.712","0.005","93.358","0.005","107.192","0.005","2714.4","1.4","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H74 S2 -","- C64 H74 S2 -","- C128 H148 S4 -","2","1","","Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua","Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells","Macromolecules","2017","50","20","7984","","10.1021/acs.macromol.7b01738","","","0.71073","MoKα","","0.1687","0.1133","","","0.3058","0.361","","","","","","1.166","","","","has coordinates","203997","2020-10-21","18:00:00",""
"1547611","7.7292","0.0009","25.126","0.003","9.073","0.0013","90","","110.817","0.011","90","","1647","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0287","0.0245","","","0.0588","0.0608","","","","","","1.004","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547612","5.8811","0.0002","13.6299","0.0004","18.7137","0.0006","90","","90","","90","","1500.07","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0295","0.0278","","","0.0698","0.0711","","","","","","1.073","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547613","8.6567","0.0002","13.8347","0.0004","25.4021","0.0006","90","","90","","90","","3042.23","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C144 H120 Br8 O16 -","8","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0601","0.0375","","","0.0674","0.0747","","","","","","0.98","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547614","31.8047","0.001","31.8047","0.001","11.8143","0.0005","90","","90","","120","","10349.5","0.6","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H21 N O5 -","- C25 H20.5 N O5 -","- C450 H369 N18 O90 -","18","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0566","0.0554","","","0.1568","0.1593","","","","","","1.07","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547615","12.1851","0.0016","15.4614","0.0018","17.05","0.002","90","","102.559","0.004","90","","3135.3","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Cl7 N O -","- C33 H20 Cl7 N O -","- C132 H80 Cl28 N4 O4 -","4","1","","Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K.","Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes.","Organic letters","2017","19","20","5665","5668","10.1021/acs.orglett.7b02824","","","0.71073","MoKα","","0.082","0.0701","","","0.1997","0.213","","","","","","1.047","","","","has coordinates","202832","2020-10-21","18:00:00",""
"1547616","10.19","0.002","17.463","0.003","9.5878","0.0015","90","","106.025","0.006","90","","1639.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Shankar, Majji; Guntreddi, Tirumaleswararao; Ramesh, E.; Sahoo, Akhila K.","Transformable Sulfoximine Assisted One-Pot Double Annulation of Vinylic C-H Bonds with Unactivated Alkynes.","Organic letters","2017","19","20","5665","5668","10.1021/acs.orglett.7b02824","","","0.71073","MoKα","","0.1205","0.0578","","","0.1068","0.1283","","","","","","1.046","","","","has coordinates","202832","2020-10-21","18:00:00",""
"1547617","12.6212","0.0019","16.587","0.002","27.567","0.004","90","","95.009","0.003","90","","5749.1","1.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H118 Cl12 N8 Ni2 P2 -","- C132 H118 Cl12 N8 Ni2 P2 -","- C264 H236 Cl24 N16 Ni4 P4 -","2","0.5","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0835","0.0723","","","0.2098","0.2218","","","","","","1.079","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547618","12.9016","0.0019","16.642","0.002","28.249","0.005","90","","95.324","0.006","90","","6039.1","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 N4 Ni P S2 -","- C74 H69 N4 Ni P S2 -","- C296 H276 N16 Ni4 P4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0606","0.0553","","","0.1562","0.1609","","","","","","1.01","","","","has coordinates","201841","2020-10-21","18:00:00",""
"1547619","14.5544","0.0007","16.058","0.0005","19.2527","0.0017","80.162","0.001","86.521","0.012","67.319","0.008","4090.5","0.5","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H57 Cl20 N4 Ni O5 P S2 -","- C73 H57 Cl20 N4 Ni O5 P S2 -","- C146 H114 Cl40 N8 Ni2 O10 P2 S4 -","2","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0474","0.0422","","","0.1225","0.125","","","","","","1.007","","","","has coordinates","201841","2020-10-21","18:00:00",""
"1547620","14.07","0.003","15.707","0.003","18.17","0.003","96.635","0.003","103.033","0.007","104.706","0.002","3719.8","1.2","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C71.65 H57 Cl14.59 N4 Ni O P S2 -","- C71.641 H57 Cl14.564 N4 Ni O P S2 -","- C143.282 H114 Cl29.128 N8 Ni2 O2 P2 S4 -","2","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0847","0.0674","","","0.1875","0.1989","","","","","","1.05","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547621","17.046","0.002","11.8202","0.0017","31.451","0.005","90","","97.756","0.004","90","","6279","1.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H69 N4 Ni O2 P -","- C80 H69 N4 Ni O2 P -","- C320 H276 N16 Ni4 O8 P4 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.091","0.0768","","","0.1947","0.2023","","","","","","1.085","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547622","13.476","0.003","18.301","0.003","25.301","0.005","90","","103.474","0.006","90","","6068","2","93","2","93","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C65 H60 Cl4 N5 O P Pd S2 -","- C65 H60 Cl4 N5 O P Pd S2 -","- C260 H240 Cl16 N20 O4 P4 Pd4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0696","0.0613","","","0.1726","0.1789","","","","","","1.037","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547623","15.0591","0.0017","27.873","0.003","18.771","0.002","90","","101.374","0.003","90","","7724.2","1.5","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C85.77 H73.77 Cl3 N6 Ni O7.59 P S2 -","- C85.774 H73.773 Cl3.001 N6 Ni O7.591 P S2 -","- C343.096 H295.092 Cl12.004 N24 Ni4 O30.364 P4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0941","0.0809","","","0.2261","0.2385","","","","","","1.067","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547624","15.25","0.002","23.282","0.003","18.497","0.003","90","","104.562","0.004","90","","6356.4","1.6","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H58.89 Cl6 N4 Ni O3 P -","- C69.9994 H58.8864 Cl5.9982 N4 Ni O3 P -","- C279.998 H235.546 Cl23.9928 N16 Ni4 O12 P4 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0836","0.0687","","","0.1992","0.2087","","","","","","1.087","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547625","41.875","0.009","12.116","0.002","33.342","0.007","90","","127.805","0.004","90","","13366","5","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 N6 Ni O P S2 -","- C75 H72 N6 Ni O P S2 -","- C600 H576 N48 Ni8 O8 P8 S16 -","8","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0494","0.0435","","","0.1173","0.121","","","","","","1.024","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547626","28.316","0.005","16.521","0.002","32.462","0.006","90","","109.086","0.005","90","","14351","4","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H68 N4 Ni O5.5 P S2 -","- C73 H68 N4 Ni O5.5 P S2 -","- C584 H544 N32 Ni8 O44 P8 S16 -","8","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.076","0.0634","","","0.1986","0.2087","","","","","","1.025","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1547627","4.7617","0.0003","31.515","0.003","13.2597","0.001","90","","92.153","0.003","90","","1988.4","0.3","122.15","","122.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F12 N3 S -","- C18 H9 F12 N3 S -","- C72 H36 F48 N12 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0722","0.0531","","","0.1135","0.1207","","","","","","1.069","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547628","12.2715","0.0014","8.4441","0.001","16.4877","0.0019","90","","93.794","0.004","90","","1704.7","0.3","122","2","122","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N4 O2 S -","- C16 H10 F6 N4 O2 S -","- C64 H40 F24 N16 O8 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0736","0.0575","","","0.1435","0.1555","","","","","","1.031","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547629","8.8724","0.0004","9.8446","0.0005","12.3483","0.0006","89.81","0.002","71.081","0.002","68.037","0.002","937.66","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H9 F6 N5 O4 S -","- C16 H9 F6 N5 O4 S -","- C32 H18 F12 N10 O8 S2 -","2","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0523","0.0403","","","0.1029","0.1115","","","","","","1.035","","","","has coordinates,has disorder","201842","2020-10-21","18:00:00",""
"1547630","12.2731","0.0016","9.2592","0.0014","16.18","0.003","90","","91.897","0.005","90","","1837.7","0.5","100","30","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F6 N3 O2 S -","- C18 H13 F6 N3 O2 S -","- C72 H52 F24 N12 O8 S4 -","4","1","","Larsen, Dennis; Langhorn, Line M.; Akselsen, Olivia M.; Nielsen, Bjarne E.; Pittelkow, Michael","Thiosemicarbazone organocatalysis: tetrahydropyranylation and 2-deoxygalactosylation reactions and kinetics-based mechanistic investigation","Chem. Sci.","2017","","","","","10.1039/C7SC03366D","","","0.71073","MoKα","","0.0447","0.0366","","","0.0862","0.0907","","","","","","1.04","","","","has coordinates","201842","2020-10-21","18:00:00",""
"1547631","9.0667","0.0003","9.6985","0.0004","10.1017","0.0003","111.13","0.003","93.15","0.003","108.191","0.003","772.96","0.05","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","- C38 H30 N2 P2 Pd -","1","0.5","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.022","0.0201","","","0.0503","0.0514","","","","","","1.079","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547632","13.094","0.004","14.447","0.005","16.046","0.005","90","","92.715","0.007","90","","3032","1.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Br2 P2 Pd2 -","- C24 H54 Br2 P2 Pd2 -","- C96 H216 Br8 P8 Pd8 -","4","1","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","","0.5608","AgKα","","0.0792","0.05","","","0.1266","0.1468","","","","","","1.037","","","","has coordinates,has disorder","201843","2020-10-21","18:00:00",""
"1547633","12.7069","0.0004","34.9448","0.0009","14.1937","0.0006","90","","116.366","0.005","90","","5646.9","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H55 Br P2 Pd -","- C24 H55 Br P2 Pd -","- C192 H440 Br8 P16 Pd8 -","8","1","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0333","0.0249","","","0.0523","0.0556","","","","","","1.03","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547634","12.1372","0.0002","16.2799","0.0002","16.5783","0.0003","90","","110.126","0.002","90","","3075.72","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H110 N4 P4 Pd3 -","- C52 H110 N4 P4 Pd3 -","- C104 H220 N8 P8 Pd6 -","2","0.5","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0329","0.0266","","","0.0579","0.0608","","","","","","1.069","","","","has coordinates","201843","2020-10-21","18:00:00",""
"1547635","12.6035","0.0003","17.2591","0.0004","25.6455","0.0005","90.2601","0.0018","90.0672","0.0018","90.8113","0.0019","5577.9","0.2","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C25 H54 N P2 Pd -","- C25 H54 N P2 Pd -","- C200 H432 N8 P16 Pd8 -","8","4","","Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T.","Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03912C","","x-ray","0.71073","MoKα","","0.0842","0.0601","","","0.1272","0.1373","","","","","","1.117","","","","has coordinates,has disorder","201843","2020-10-21","18:00:00",""
"1547636","10.043","0.005","18.838","0.009","11.15","0.005","90","","113.174","0.006","90","","1939.3","1.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 O6 Si5 -","- C8 H24 O6 Si5 -","- C32 H96 O24 Si20 -","4","1","","Wu, Chunyan; Hu, Chunhua Tony; Liu, Yuzhou","Hyperbranched Polysiloxane with Highly Constrained Rings and the Effect of the Attached Arms on the Assembly Behavior","Polym. Chem.","2017","","","","","10.1039/C7PY01177F","","","0.71073","MoKα","","0.1533","0.0823","","","0.1789","0.2127","","","","","","1.019","","","","has coordinates","201848","2020-10-21","18:00:00",""
"1547637","9.5331","0.0013","16.22","0.003","12.8433","0.0018","90","","94.694","0.004","90","","1979.3","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C30H32Mn2N14P2F12","","","- C30 H32 F12 Mn2 N14 P2 -","- C30 H32 F12 Mn2 N14 P2 -","- C60 H64 F24 Mn4 N28 P4 -","2","0.5","","Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang","Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers","The Journal of Physical Chemistry C","2017","121","41","22727","","10.1021/acs.jpcc.7b08271","","","0.71073","MoKα","","0.0712","0.0464","","","0.1164","0.1291","","","","","","1.08","","","","has coordinates","202764","2020-10-21","18:00:00",""
"1547638","9.3323","0.001","16.1831","0.0015","12.3918","0.0012","90","","95.304","0.003","90","","1863.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C30H32Mn2N14B2F8","","","- C30 H32 B2 F8 Mn2 N14 -","- C30 H32 B2 F8 Mn2 N14 -","- C60 H64 B4 F16 Mn4 N28 -","2","0.5","","Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang","Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers","The Journal of Physical Chemistry C","2017","121","41","22727","","10.1021/acs.jpcc.7b08271","","","0.71073","MoKα","","0.097","0.0657","","","0.1837","0.2067","","","","","","1.066","","","","has coordinates","202764","2020-10-21","18:00:00",""
"1547639","7.426","0.0017","11.292","0.003","20.718","0.005","90","","90","","90","","1737.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Qian, Xue-Wei; Xue, Ze-Jian; Zhao, Qian; Cui, Zhe; Chen, Ya-Jing; Feng, Chen-Guo; Lin, Guo-Qiang","Enantioselective Rhodium-Catalyzed Alkenylation of Aliphatic Imines.","Organic letters","2017","19","20","5601","5604","10.1021/acs.orglett.7b02737","","","0.71073","MoKα","","0.0462","0.0408","","","0.0981","0.1013","","","","","","1.011","","","","has coordinates","202822","2020-10-21","18:00:00",""
"1547640","6.8929","0.0003","7.6318","0.0003","19.0999","0.0009","100.04","0.002","92.095","0.002","110.687","0.002","920.31","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KSH-2428","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","1","","Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes.","Organic letters","2017","19","20","5677","5680","10.1021/acs.orglett.7b02826","","","0.71073","","","0.0822","0.0551","","","0.1559","0.178","","","","","","1.029","","","","has coordinates","202834","2020-10-21","18:00:00",""
"1547641","9.125","0.0015","11.0174","0.0015","11.6902","0.0015","102.952","0.0014","102.365","0.0009","105.581","0.0014","1055.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KSH-2849","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes.","Organic letters","2017","19","20","5677","5680","10.1021/acs.orglett.7b02826","","","0.71073","","","0.1116","0.0588","","","0.1346","0.1637","","","","","","1.026","","","","has coordinates,has disorder","202834","2020-10-21","18:00:00",""
"1547642","6.2851","0.0002","16.6804","0.0005","9.9664","0.0003","90","","96.0995","0.0014","90","","1038.94","0.06","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H28 N2 O5 S -","- C20 H28 N2 O5 S -","- C40 H56 N4 O10 S2 -","2","1","","Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea","The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C‒H bonds","Chem. Sci.","2017","","","","","10.1039/C7SC03876C","","","0.71073","MoKα","","0.0552","0.0421","","","0.0972","0.1051","","","","","","1.016","","","","has coordinates","201869","2020-10-21","18:00:00",""
"1547643","10.6824","0.0005","13.2062","0.0007","11.5423","0.0007","90","","99.843","0.006","90","","1604.35","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 B3 O3 -","- C18 H15 B3 O3 -","- C72 H60 B12 O12 -","4","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0769","0.0534","","","0.1097","0.1243","","","","","","1.028","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547644","16.193","0.004","24.868","0.006","9.919","0.002","90","","94.666","0.004","90","","3981","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 B O3 -","- C9 H13 B O3 -","- C144 H208 B16 O48 -","16","4","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.1239","0.0635","","","0.1558","0.1955","","","","","","0.959","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547645","15.322","0.003","17.902","0.003","9.8089","0.0017","90","","90","","90","","2690.5","0.8","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C6 H7 B O2 -","- C6 H7 B O2 -","- C96 H112 B16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0507","0.034","","","0.0759","0.0844","","","","","","1.027","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547646","11.2586","0.0015","5.0616","0.0007","13.8819","0.0018","90","","111.069","0.002","90","","738.2","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B O3 -","- C7 H9 B O3 -","- C28 H36 B4 O12 -","4","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0379","0.0341","","","0.0886","0.0917","","","","","","1.004","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547647","5.0709","0.0003","7.6864","0.0007","13.7993","0.0011","87.907","0.007","85.499","0.006","74.195","0.007","515.86","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 B O3 -","- C10 H15 B O3 -","- C20 H30 B2 O6 -","2","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","1.54184","CuKα","","0.0489","0.0406","","","0.0981","0.1053","","","","","","1.07","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547648","19.815","0.0004","5.02009","0.00008","18.2337","0.0004","90","","111.493","0.002","90","","1687.64","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H11 B O3 -","- C8 H11 B O3 -","- C64 H88 B8 O24 -","8","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.0338","0.0328","","","0.0868","0.0877","","","","","","1.045","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547649","3.8105","0.0003","20.8028","0.0016","10.3896","0.001","90","","96.843","0.008","90","","817.71","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 B3 F3 O3 -","- C18 H12 B3 F3 O3 -","- C36 H24 B6 F6 O6 -","2","0.5","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0678","0.0498","","","0.1145","0.1308","","","","","","1.078","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547650","5.0668","0.0013","10.184","0.003","13.252","0.003","72.888","0.004","84.617","0.004","75.928","0.004","633.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 B O3 -","- C12 H19 B O3 -","- C24 H38 B2 O6 -","2","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","","0.71073","MoKα","","0.0796","0.0513","","","0.1321","0.1525","","","","","","1.079","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547651","19.531","0.001","18.4544","0.0008","9.7999","0.0008","90","","90","","90","","3532.2","0.4","294.84","0.1","294.84","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H6 B I O2 -","- C6 H6 B I O2 -","- C96 H96 B16 I16 O32 -","16","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.2134","0.1632","","","0.4235","0.4661","","","","","","1.551","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547652","14.3451","0.0006","5.0353","0.0002","17.3021","0.0006","90","","90.473","0.004","90","","1249.72","0.08","99.8","0.4","99.8","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 B O3 -","- C6 H7 B O3 -","- C48 H56 B8 O24 -","8","2","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0609","0.0489","","","0.1202","0.1295","","","","","","1.073","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547653","18.297","0.004","10.234","0.002","7.8231","0.0016","90","","90","","90","","1464.9","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br5 N2 -","- C4 H14 Bi Br5 N2 -","- C16 H56 Bi4 Br20 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0722","0.0492","","","0.0791","0.0851","","","","","","0.997","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547654","18.16","0.004","10.074","0.002","7.6542","0.0015","90","","90","","90","","1400.3","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C16 H56 Bi4 Br12.4 Cl7.6 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0867","0.0605","","","0.1265","0.1355","","","","","","1.06","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547655","18.109","0.004","9.998","0.002","7.5855","0.0015","90","","90","","90","","1373.4","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C16 H56 Bi4 Br7.2 Cl12.8 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0788","0.0603","","","0.1441","0.1531","","","","","","1.055","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547656","18.12","0.004","9.95","0.002","7.5357","0.0015","90","","90","","90","","1358.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C16 H56 Bi4 Br5.6 Cl14.4 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0627","0.0481","","","0.1135","0.1192","","","","","","1.095","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547657","18.209","0.004","9.975","0.002","7.5491","0.0015","90","","90","","90","","1371.2","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C16 H56 Bi4 Br4.4 Cl15.6 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0571","0.0446","","","0.104","0.1094","","","","","","1.078","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547658","17.899","0.014","7.93","0.006","10.381","0.008","90","","90","","90","","1473","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br5 N2 -","- C4 H14 Bi Br5 N2 -","- C16 H56 Bi4 Br20 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0669","0.0545","","","0.1148","0.12","","","","","","1.176","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547659","17.697","0.014","7.639","0.006","10.071","0.008","90","","90","","90","","1361.5","1.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C16 H56 Bi4 Br12.4 Cl7.6 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1267","0.1164","","","0.307","0.3169","","","","","","1.178","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547660","17.891","0.018","7.722","0.008","10.203","0.011","90","","90","","90","","1410","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C16 H56 Bi4 Br7.2 Cl12.8 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1256","0.0992","","","0.24","0.2583","","","","","","1.253","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547661","17.693","0.003","7.6587","0.0011","10.1094","0.0019","90","","90","","90","","1369.9","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C16 H56 Bi4 Br5.6 Cl14.4 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.1093","0.0871","","","0.2177","0.2312","","","","","","1.277","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547662","17.755","0.008","7.681","0.004","10.12","0.005","90","","90","","90","","1380.1","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C16 H56 Bi4 Br4.4 Cl15.6 N8 -","4","0.5","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0815","0.0689","","","0.1793","0.1964","","","","","","1.316","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547663","9.1345","0.0004","14.6643","0.0007","18.0325","0.0008","92.023","0.0006","96.2988","0.0006","105.032","0.0006","2313.62","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Br N3 P -","- C23 H31 Br N3 P -","- C92 H124 Br4 N12 P4 -","4","2","","Tien, Chieh-Hung; Adams, Matt R.; Ferguson, Michael J.; Johnson, Erin R.; Speed, Alexander W. H.","Hydroboration Catalyzed by 1,2,4,3-Triazaphospholenes.","Organic letters","2017","19","20","5565","5568","10.1021/acs.orglett.7b02695","","","0.71073","MoKα","","0.0439","0.0318","","","0.0745","0.0795","","","","","","1.044","","","","has coordinates","202817","2020-10-21","18:00:00",""
"1547664","13.7185","0.0002","20.7124","0.0003","20.7597","0.0003","90","","90","","90","","5898.72","0.15","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H48 O3 -","- C29 H48 O3 -","- C232 H384 O24 -","8","2","","Wang, Chao; Huo, Xiao-Kui; Luan, Zhi-Lin; Cao, Fei; Tian, Xiang-Ge; Zhao, Xin-Yu; Sun, Cheng-Peng; Feng, Lei; Ning, Jing; Zhang, Bao-Jing; Ma, Xiao-Chi","Alismanin A, a Triterpenoid with a C34 Skeleton from Alisma orientale as a Natural Agonist of Human Pregnane X Receptor.","Organic letters","2017","19","20","5645","5648","10.1021/acs.orglett.7b02738","","x-ray","1.54184","CuKα","","0.1013","0.0966","","","0.2569","0.2612","","","","","","1.071","","","","has coordinates,has disorder","202820","2020-10-21","18:00:00",""
"1547665","17.226","0.003","22.283","0.005","24.02","0.005","117.27","0.03","92.88","0.03","96.46","0.03","8089","4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C150 H138 N14 O6 -","- C150 H138 N14 O6 -","- C300 H276 N28 O12 -","2","1","","Hwang, Ji Young; Jeon, Hae-Geun; Choi, Ye Rin; Kim, Junyoung; Kang, Philjae; Lee, Seungwon; Jeong, Kyu-Sung","Aromatic Hybrid Foldamer with a Hydrophilic Helical Cavity Capable of Encapsulating Glucose.","Organic letters","2017","19","20","5625","5628","10.1021/acs.orglett.7b02768","","","0.7","synchrotron","","0.1629","0.0969","","","0.2701","0.311","","","","","","0.975","","","","has coordinates,has disorder","202826","2020-10-21","18:00:00",""
"1547666","16.625","0.003","13.626","0.003","10.32","0.002","90","","92.77","0.03","90","","2335.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N16 O2 -","- C18 H22 N16 O2 -","- C72 H88 N64 O8 -","4","1","","Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee","Calix[n]triazoles and Related Conformational Studies.","Organic letters","2017","19","20","5509","5512","10.1021/acs.orglett.7b02557","","","0.7","synchrotron","","0.1051","0.0883","","","0.2532","0.2674","","","","","","1.046","","","","has coordinates","202836","2020-10-21","18:00:00",""
"1547667","8.7126","0.0009","5.5052","0.0006","14.9132","0.0018","90","","101.476","0.008","90","","701.01","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N12 -","- C12 H12 N12 -","- C24 H24 N24 -","2","0.5","","Kim, Illan; Ko, Kyoung Chul; Lee, Woo Ram; Cho, Jihee; Moon, Jong Hun; Moon, Dohyun; Sharma, Amit; Lee, Jin Yong; Kim, Jong Seung; Kim, Sanghee","Calix[n]triazoles and Related Conformational Studies.","Organic letters","2017","19","20","5509","5512","10.1021/acs.orglett.7b02557","","","0.71073","MoKα","","0.208","0.0723","","","0.1333","0.1881","","","","","","0.9","","","","has coordinates","202836","2020-10-21","18:00:00",""
"1547668","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Lee, Young Eun; Reddy, Peddiahgari Vasu Govardhana; Dey, Sangeeta; Allen, Scott E.; Niederer, Kyle A.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Herling, Madison R.; Kozlowski, Marisa C.","Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles.","Organic letters","2017","19","20","5505","5508","10.1021/acs.orglett.7b02552","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","202830","2020-10-21","18:00:00",""
"1547669","11.6249","0.0009","14.1066","0.0011","14.2931","0.0011","99.86","0.002","104.52","0.003","105.715","0.002","2111.1","0.3","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C22 H43.73 B1.77 Cl4 F7.08 Fe2 N8 Ni2 O4.36 S4 -","- C22 H43.7284 B1.77 Cl4 F7.08 Fe2 N8 Ni2 O4.3642 S4 -","- C44 H87.4568 B3.54 Cl8 F14.16 Fe4 N16 Ni4 O8.7284 S8 -","2","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0651","0.041","","","0.1102","0.1255","","","","","","1.025","","","","has coordinates,has disorder","201960","2020-10-21","18:00:00",""
"1547670","8.5324","0.0011","13.8268","0.0018","13.8581","0.0018","88.197","0.002","72.322","0.002","80.263","0.002","1534.9","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H40 B F4 Fe N6 Ni2 O2 S4 -","- C20 H40 B F4 Fe N6 Ni2 O2 S4 -","- C40 H80 B2 F8 Fe2 N12 Ni4 O4 S8 -","2","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0451","0.0359","","","0.0981","0.105","","","","","","1.038","","","","has coordinates,has disorder","201960","2020-10-21","18:00:00",""
"1547671","12.318","0.008","11.116","0.007","24.241","0.015","90","","90.062","0.007","90","","3319","4","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H21 Cl Fe N4 Ni O2 S2 -","- C10.5 H21 Cl Fe N4 Ni O2 S2 -","- C84 H168 Cl8 Fe8 N32 Ni8 O16 S16 -","8","1","","Ghosh, Pokhraj; Ding, Shengda; Chupik, Rachel B.; Quiroz, Manuel; Hsieh, Chung-Hung; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","A Matrix of Heterobimetallic Complexes for Interrogation of Hydrogen Evolution Reaction Electrocatalysts","Chem. Sci.","2017","","","","","10.1039/C7SC03378H","","","0.71073","MoKα","","0.0437","0.0314","","","0.0671","0.0708","","","","","","1.085","","","","has coordinates","201960","2020-10-21","18:00:00",""
"1547672","10.4889","0.0017","15.637","0.002","17.361","0.003","90","","90","","90","","2847.5","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C136 H104 Br8 O24 -","8","2","","Paz, Bruno Matos; Li, Yang; Thøgersen, Mathias Kirk; Jørgensen, Karl Anker","Enantioselective synthesis of cyclopenta[b]benzofurans via an organocatalytic intramolecular double cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC03006A","","","0.56086","AgKα","","0.0221","0.0209","","","0.0524","0.0528","","","","","","1.043","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1547673","8.2595","0.0007","10.2305","0.0008","10.237","0.0006","98.393","0.006","113.578","0.007","95.939","0.007","771.71","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N3 O0.5 S -","- C18 H14 N3 O0.5 S -","- C36 H28 N6 O S2 -","2","1","","Ramanathan, Mani; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis of Substituted Quinazolin-4(3H)-imines From Aryldiazonium Salts, Nitriles and 2-Cyanoanilines via A Metal-Free Tandem Approach.","Organic letters","2017","19","21","5840","5843","10.1021/acs.orglett.7b02822","","","1.54178","CuKα","","0.0726","0.0536","","","0.1469","0.1678","","","","","","1.043","","","","has coordinates","202839","2020-10-21","18:00:00",""
"1547674","8.2205","0.0003","11.1612","0.0007","11.4544","0.0006","106.106","0.005","97.928","0.004","93.594","0.004","994.4","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cl O2 P -","- C26 H16 Cl O2 P -","- C52 H32 Cl2 O4 P2 -","2","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","x-ray","1.54184","CuKα","","0.0499","0.0405","","","0.1043","0.113","","","","","","1.034","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547675","12.3745","0.0004","13.9516","0.0005","15.5108","0.0006","90.361","0.003","108.098","0.003","97.969","0.003","2517.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 O P -","- C33 H25 O P -","- C132 H100 O4 P4 -","4","2","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","x-ray","0.71073","MoKα","","0.1151","0.0759","","","0.1871","0.2119","","","","","","1.015","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547676","9.6822","0.0006","10.6345","0.0005","11.7489","0.0008","97.498","0.005","106.46","0.006","93.254","0.005","1144.63","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl2 O P -","- C26 H21 Cl2 O P -","- C52 H42 Cl4 O2 P2 -","2","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","","1.54184","CuKα","","0.0578","0.0453","","","0.1189","0.1287","","","","","","1.037","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547677","9.4124","0.0003","14.7338","0.0005","14.2292","0.0005","90","","90.71","0.001","90","","1973.16","0.12","170","2","169.72","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O P -","- C26 H18 Cl O P -","- C104 H72 Cl4 O4 P4 -","4","1","","Zhao, Xu; Gan, Zhenjie; Hu, Chaopeng; Duan, Zheng; Mathey, François","Planar Polycyclic Oxaphosphoranes Incorporating a Benzophosphole Unit.","Organic letters","2017","19","21","5814","5817","10.1021/acs.orglett.7b02769","","","1.54178","CuKα","","0.0293","0.0286","","","0.0765","0.077","","","","","","1.02","","","","has coordinates","202862","2020-10-21","18:00:00",""
"1547678","11.8722","0.0004","8.4475","0.0004","26.7964","0.001","90","","90","","90","","2687.42","0.19","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing","Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines.","Organic letters","2017","19","21","5896","5899","10.1021/acs.orglett.7b02885","","","0.71073","MoKα","","0.1499","0.0807","","","0.1713","0.2156","","","","","","1.049","","","","has coordinates","202852","2020-10-21","18:00:00",""
"1547679","14.8729","0.0004","11.2262","0.0003","16.491","0.0005","90","","92.964","0.0013","90","","2749.76","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SK-V-211-2 major","","","- C31 H35 N O6 -","- C31 H35 N O6 -","- C124 H140 N4 O24 -","4","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0688","0.0519","","","0.1448","0.1581","","","","","","1.042","","","","has coordinates","202039","2020-10-21","18:00:00",""
"1547680","9.3352","0.0007","10.2282","0.0009","11.6109","0.0009","70.977","0.002","69.277","0.003","63.872","0.002","911.65","0.13","121","2","121","2","","","","","","","","4","P -1","-P 1","2","SK-V-116-major","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C44 H46 N2 O4 -","2","1","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0627","0.0422","","","0.0944","0.1038","","","","","","1.037","","","","has coordinates","202039","2020-10-21","18:00:00",""
"1547681","10.3428","0.0007","16.0861","0.0011","17.3663","0.0012","65.705","0.003","73.172","0.004","89.52","0.004","2500.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SK-V-211-2 minor","","","- C29 H31 N2 O5 -","- C29 H31 N O5 -","- C116 H124 N4 O20 -","4","2","","Shen, Kun; Wang, Qiu","Copper-Catalyzed Aminoalkynylation of Alkenes with Hypervalent Iodine Reagents","Chem. Sci.","2017","","","","","10.1039/C7SC03420B","","","0.71073","MoKα","","0.0813","0.0616","","","0.1663","0.1771","","","","","","1.098","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547682","17.9134","0.0002","11.5319","0.0001","18.2586","0.0002","90","","117.23","0.001","90","","3353.78","0.07","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl3 N4 S2 Se2 -","- C31 H27 Cl3 N4 S2 Se2 -","- C124 H108 Cl12 N16 S8 Se8 -","4","1","","Benz, Sebastian; Mareda, Jiri; Besnard, Céline; Sakai, Naomi; Matile, Stefan","Catalysis with chalcogen bonds: neutral benzodiselenazole scaffolds with high-precision selenium donors of variable strength","Chem. Sci.","2017","","","","","10.1039/C7SC03866F","","x-ray","1.54184","CuKα","","0.0423","0.0395","","","0.1109","0.1146","","","","","","1.039","","","","has coordinates,has disorder","202040","2020-10-21","18:00:00",""
"1547683","24.5149","0.0006","24.5149","0.0006","9.7646","0.0002","90","","90","","120","","5082.1","0.2","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C18 H36 Br7 N12 Pb2 -","- C18 H36 Br7 N12 Pb2 -","- C108 H216 Br42 N72 Pb12 -","6","0.5","","Lin, Haoran; Zhou, Chenkun; Tian, Yu; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Zhou, Yan; Bullock, James; Schanze, Kirk; Ming, Wenmei; Du, Mao Hua; Ma, Biwu","Bulk Assembly of Organic Metal Halide Nanotubes","Chem. Sci.","2017","","","","","10.1039/C7SC03675B","","","0.71073","MoKα","","0.0593","0.0518","","0.0729","0.0698","0.0728","","","","","","1.0634","","","","has coordinates","202041","2020-10-21","18:00:00",""
"1547684","23.112","0.004","23.112","","7.0532","0.0001","90","","90","","120","","3262.8","0.6","100","2","100","2","","","","","","","","3","P 31","P 31","144","","","","- C18 H31.5 O1.12 -","- C18 H31.125 O1.125 -","- C144 H249 O9 -","8","2.66667","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","0.71073","MoKα","","0.1243","0.0958","","","0.2161","0.2294","","","","","","1.086","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547685","6.52639","0.00006","61.44","0.0005","7.08782","0.00006","90","","113.23","0.0004","90","","2611.67","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H53 O2.5 -","- C30 H53 O2.5 -","- C120 H212 O10 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","1.54178","CuKα","","0.068","0.0583","","","0.1389","0.1444","","","","","","1.022","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547686","16.9259","0.0007","8.7979","0.0003","23.0465","0.0009","90","","107.552","0.001","90","","3272.1","0.2","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H55 Br O3 -","- C37 H55 Br O3 -","- C148 H220 Br4 O12 -","4","2","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","0.71073","MoKα","","0.1","0.0534","","","0.0733","0.0835","","","","","","1.008","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547687","18.4576","0.0002","18.4576","","7.4585","0.0001","90","","90","","90","","2540.98","0.04","100","2","100","2","","","","","","","","3","P 42","P 4c","77","Cupacinoxepin","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias","Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids","Chem. Sci.","2017","","","","","10.1039/C7SC03903D","","","1.54178","CuKα","","0.0992","0.0571","","","0.0986","0.1122","","","","","","1.025","","","","has coordinates","202042","2020-10-21","18:00:00",""
"1547688","23.9163","0.0017","13.5859","0.001","26.106","0.002","90","","90","","90","","8482.5","1.1","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F6 O13 P4 Zr2.69 -","- C25 H16 F6 O13 P4 Zr2.685 -","- C200 H128 F48 O104 P32 Zr21.48 -","8","1","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1266","0.0869","","","0.2454","0.2697","","","","","","1.042","","","","has coordinates,has disorder","202051","2020-10-21","18:00:00",""
"1547689","33.081","0.005","33.081","0.005","15.832","0.003","90","","90","","90","","17326","5","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H16 F8 O12 P4 Zr3 -","- C25 H16 F8 O12 P4 Zr3 -","- C200 H128 F64 O96 P32 Zr24 -","8","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0994","0.0674","","","0.2165","0.2456","","","","","","0.973","","","","has coordinates","202052","2020-10-21","18:00:00",""
"1547690","16.9609","0.0013","26.425","0.002","16.9629","0.0013","90","","117.718","0.002","90","","6730.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H48 F18 O24 P8 Zr7 -","- C68 H48 F18 O24 P8 Zr7 -","- C136 H96 F36 O48 P16 Zr14 -","2","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1317","0.1085","","","0.3076","0.3315","","","","","","1.053","","","","has coordinates","202053","2020-10-21","18:00:00",""
"1547691","24.905","0.003","24.905","0.003","7.5896","0.001","90","","90","","90","","4707.5","1","223","2","223","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C41 O14 P4 -","- C41 O16 P4 -","- C164 O64 P16 -","4","","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0989","0.0763","","","0.2121","0.2332","","","","","","1.059","","","","has coordinates,has disorder","202054","2020-10-21","18:00:00",""
"1547692","13.2646","0.0007","13.2646","0.0007","7.5238","0.0005","90","","90","","90","","1323.81","0.13","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 O12 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0516","0.0432","","","0.1028","0.1218","","","","","","1.075","","","","has coordinates","202055","2020-10-21","18:00:00",""
"1547693","21.7593","0.0011","33.6872","0.0016","28.3246","0.0014","90","","92.856","0.003","90","","20736.4","1.8","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C212 H181 N8 O34 Pd2 S16 -","- C212 H181 N8 O34 Pd2 S16 -","- C848 H724 N32 O136 Pd8 S64 -","4","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","1.54178","CuKα","","0.1955","0.1355","","","0.3575","0.4022","","","","","","1.334","","","","has coordinates","202056","2020-10-21","18:00:00",""
"1547694","21.297","0.002","21.48","0.002","27.276","0.003","70.017","0.001","69.062","0.001","61.468","0.001","10013.5","1.7","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C212 H184 N12 O46 Pd2 S12 -","- C212 H184 N12 O46 Pd2 S12 -","- C424 H368 N24 O92 Pd4 S24 -","2","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","0.71073","MoKα","","0.1988","0.1346","","","0.3689","0.4282","","","","","","1.06","","","","has coordinates,has disorder","202057","2020-10-21","18:00:00",""
"1547695","8.5985","0.0002","8.9813","0.0002","10.1508","0.0002","113.998","0.002","91.78","0.002","111.582","0.002","650.7","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-iodo-2-((2-methoxyethoxy)methyl)-2,7-naphthyridin-1(2H)-one","","- C12 H13 I N2 O3 -","- C12 H13 I N2 O3 -","- C24 H26 I2 N4 O6 -","2","1","","Ziegler, Dorothée S; Greiner, Robert; Lumpe, Henning; Kqiku, Laura; Karaghiosoff, Konstantin; Knochel, Paul","Directed Zincation or Magnesiation of the 2-Pyridone and 2,7-Naphthyridone Scaffold Using TMP Bases.","Organic letters","2017","19","21","5760","5763","10.1021/acs.orglett.7b02690","","","0.71073","MoKα","","0.0253","0.0214","","","0.048","0.0499","","","","","","1.041","","","","has coordinates","202841","2020-10-21","18:00:00",""
"1547696","7.854","0.004","11.693","0.005","18.074","0.008","90","","90","","90","","1659.9","1.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 I N2 O4 -","- C18 H13 I N2 O4 -","- C72 H52 I4 N8 O16 -","4","1","","Toda, Yasunori; Gomyou, Shuto; Tanaka, Shoya; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Synthesis of Oxazolidinones from Isocyanates and Epoxides.","Organic letters","2017","19","21","5786","5789","10.1021/acs.orglett.7b02722","","","0.71073","MoKα","","0.0222","0.02","","","0.0441","0.0451","","","","","","1.164","","","","has coordinates","202842","2020-10-21","18:00:00",""
"1547697","7.79","0.0006","9.6934","0.0009","18.868","0.0013","84.627","0.001","84.464","0.001","67.565","0.001","1308.27","0.18","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Br O5 Si -","- C26 H37 Br O5 Si -","- C52 H74 Br2 O10 Si2 -","2","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0363","0.0305","","","0.0715","0.0741","","","","","","1.027","","","","has coordinates","202848","2020-10-21","18:00:00",""
"1547698","9.9141","0.0005","18.7872","0.0009","10.6013","0.0005","90","","91.608","0.001","90","","1973.8","0.17","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br O4 -","- C21 H25 Br O4 -","- C84 H100 Br4 O16 -","4","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0264","0.0235","","","0.0582","0.0596","","","","","","1.04","","","","has coordinates","202848","2020-10-21","18:00:00",""
"1547699","7.5249","0.0004","10.273","0.0005","15.343","0.0008","104.399","0.001","103.098","0.001","95.903","0.001","1102.87","0.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 Br O3 Si -","- C20 H35 Br O3 Si -","- C40 H70 Br2 O6 Si2 -","2","1","","Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka","Total Synthesis of Paralemnolide A.","Organic letters","2017","19","21","5996","5999","10.1021/acs.orglett.7b03038","","","0.71073","MoKα","","0.0275","0.0256","","","0.0642","0.0653","","","","","","1.035","","","","has coordinates","202848","2020-10-21","18:00:00",""
"1547700","9.8218","0.0007","12.5329","0.0011","12.4155","0.0009","90","","90","","90","","1528.3","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H20 F2 O2 -","- C17 H20 F2 O2 -","- C68 H80 F8 O8 -","4","1","","Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi","Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids.","Organic letters","2017","19","21","5900","5903","10.1021/acs.orglett.7b02899","","","0.71073","MoKα","","0.0546","0.0422","","","0.1014","0.1085","","","","","","1.001","","","","has coordinates","202850","2020-10-21","18:00:00",""
"1547701","5.8465","0.0001","9.7587","0.0002","9.8846","0.0002","89.343","0.0011","87.738","0.0012","86.3034","0.0012","562.324","0.019","100","","100","","","","","","","","","5","P 1","P 1","1","166HC","","","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","- C21 H28 Br N O7 -","1","1","","Horwitz, Matthew A.; Fulton, Jennifer L.; Johnson, Jeffrey S.","Enantio- and Diastereoselective Organocatalytic Conjugate Additions of Nitroalkanes to Enone Diesters.","Organic letters","2017","19","21","5783","5785","10.1021/acs.orglett.7b02735","","","0.71073","MoKα","","0.028","0.0253","","","0.0493","0.05","","","","","","0.879","","","","has coordinates","202851","2020-10-21","18:00:00",""
"1547702","9.7097","0.0002","12.1431","0.0003","12.8881","0.0004","90","","90","","90","","1519.58","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Chen, Keliang; Zhang, Xuwen; Sun, Weiguang; Liu, Junjun; Yang, Jing; Chen, Chunmei; Liu, Xiulan; Gao, Limin; Wang, Jianping; Li, Hua; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae.","Organic letters","2017","19","21","5956","5959","10.1021/acs.orglett.7b02955","","","1.54178","CuKα","","0.0356","0.0355","","","0.0963","0.0964","","","","","","1.035","","","","has coordinates","202855","2020-10-21","18:00:00",""
"1547703","21.597","0.004","7.285","0.0015","16.615","0.003","90","","90","","90","","2614.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 Cl3 Ir N4 -","- C24 H25 Cl3 Ir N4 -","- C96 H100 Cl12 Ir4 N16 -","4","1","","Liang, Ran; Li, Shun; Wang, Rongzhou; Lu, Lei; Li, Feng","N-Methylation of Amines with Methanol Catalyzed by a Cp*Ir Complex Bearing a Functional 2,2'-Bibenzimidazole Ligand.","Organic letters","2017","19","21","5790","5793","10.1021/acs.orglett.7b02723","","","0.71073","MoKα","","0.0727","0.0497","","","0.0962","0.1065","","","","","","1.001","","","","has coordinates","202861","2020-10-21","18:00:00",""
"1547704","10.2354","0.001","14.6975","0.0011","16.2321","0.0013","90","","90","","90","","2441.9","0.4","299.6","0.8","299.6","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O7 S -","- C27 H20 O7 S -","- C108 H80 O28 S4 -","4","1","","Doyle, Lisa M.; O'Sullivan, Shane; Di Salvo, Claudia; McKinney, Michelle; McArdle, Patrick; Murphy, Paul V.","Stereoselective Epimerizations of Glycosyl Thiols.","Organic letters","2017","19","21","5802","5805","10.1021/acs.orglett.7b02760","","","0.71073","MoKα","","0.0776","0.0496","","","0.1235","0.1405","","","","","","1.015","","","","has coordinates","202867","2020-10-21","18:00:00",""
"1547708","9.099","0.009","6.059","0.006","9.24","0.009","90","","90","","90","","509.4","0.9","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C7 H14 I N O4 -","- C7 H12 I N O4 -","- C14 H24 I2 N2 O8 -","2","0.5","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.0392","0.0362","","","0.0683","0.0698","","","","","","1.144","","","","has coordinates","202105","2020-10-21","18:00:00",""
"1547709","6.437","0.008","6.437","0.008","6.437","0.008","90","","90","","90","","266.7","0.6","338","2","338","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 I N O4 -","- C7.9992 I O4 -","- C7.9992 I O4 -","1","0.0208333","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.1468","0.145","","","0.3081","0.3087","","","","","","1.402","","","","has coordinates","202106","2020-10-21","18:00:00",""
"1547710","8.872","0.0003","11.0082","0.0003","9.1544","0.0003","90","","108.429","0.002","90","","848.21","0.05","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.035","0.0305","","","0.0683","0.071","","","","","","1.05","","","","has coordinates","202107","2020-10-21","18:00:00",""
"1547711","7.0558","0.0002","11.7298","0.0003","17.7125","0.0005","90","","90","","90","","1465.94","0.07","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0331","0.0298","","","0.0729","0.0755","","","","","","1.047","","","","has coordinates","202108","2020-10-21","18:00:00",""
"1547712","7.0078","0.0003","7.1563","0.0003","11.9748","0.0006","106.043","0.004","97.618","0.004","99.673","0.003","558.69","0.05","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0424","0.0364","","","0.0926","0.0967","","","","","","1.037","","","","has coordinates","202109","2020-10-21","18:00:00",""
"1547713","7.6701","0.0002","8.0763","0.0002","9.5222","0.0003","111.724","0.002","96.807","0.002","98.512","0.002","532.2","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0712","0.047","","","0.1328","0.1538","","","","","","0.945","","","","has coordinates","202110","2020-10-21","18:00:00",""
"1547714","8.005","0.0001","11.0252","0.0002","16.3524","0.0003","90","","97.02","0.001","90","","1432.39","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.044","0.0353","","","0.0816","0.0865","","","","","","1.054","","","","has coordinates","202111","2020-10-21","18:00:00",""
"1547715","6.1819","0.0002","19.6642","0.0006","8.718","0.0003","90","","104.247","0.002","90","","1027.18","0.06","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.035","0.0326","","","0.0811","0.0829","","","","","","1.051","","","","has coordinates","202112","2020-10-21","18:00:00",""
"1547716","8.574","","8.8","","17.704","","90","","90","","90","","1335.79","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0273","0.0257","","","0.0632","0.0641","","","","","","1.066","","","","has coordinates","202113","2020-10-21","18:00:00",""
"1547717","7.4396","0.0003","11.7668","0.0005","14.4083","0.0006","67.38","0.003","84.506","0.003","83.796","0.003","1155.44","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 O2 Si -","- C24 H38 O2 Si -","- C48 H76 O4 Si2 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0637","0.0422","","","0.0928","0.1044","","","","","","1.016","","","","has coordinates","202114","2020-10-21","18:00:00",""
"1547718","25.016","0.003","9.6759","0.0012","27.415","0.003","90","","116.342","0.002","90","","5946.8","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0809","0.0592","","","0.1651","0.1802","","","","","","1.088","","","","has coordinates","202115","2020-10-21","18:00:00",""
"1547719","25.0155","0.0017","9.6927","0.0007","27.3884","0.0018","90","","116.251","0.0011","90","","5955.9","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0551","0.0491","","","0.1726","0.1792","","","","","","1.064","","","","has coordinates","202116","2020-10-21","18:00:00",""
"1547720","25.9658","0.0015","9.0558","0.0005","27.369","0.0015","90","","117.686","0.0009","90","","5698.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H115 N13 O29 Zn4 -","- C115 H108 N13 O29 Zn4 -","- C230 H216 N26 O58 Zn8 -","2","0.25","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0627","0.0513","","","0.2017","0.2161","","","","","","1.033","","","","has coordinates","202117","2020-10-21","18:00:00",""
"1547721","24.9168","0.0019","9.6298","0.0007","27.373","0.003","90","","116.294","0.0013","90","","5888.4","0.9","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C125 H134 N16 O33 Zn4 -","- C125 H104 N16 O33 Zn4 -","- C250 H208 N32 O66 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0495","0.0457","","","0.1463","0.1509","","","","","","1.01","","","","has coordinates,has disorder","202118","2020-10-21","18:00:00",""
"1547722","24.9012","0.0017","9.6416","0.0006","27.3223","0.0018","90","","116.379","0.001","90","","5876.7","0.7","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H140 N16 O32 Zn4 -","- C128 H104 N16 O32 Zn4 -","- C256 H208 N32 O64 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0429","0.0406","","","0.1182","0.1198","","","","","","1.054","","","","has coordinates,has disorder","202119","2020-10-21","18:00:00",""
"1547723","38.0759","0.0015","12.6702","0.0005","7.9552","0.0003","90","","101.488","0.007","90","","3760.9","0.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","1.54187","CuKα","","0.0766","0.058","","","0.1371","0.1475","","","","","","1.031","","","","has coordinates","202120","2020-10-21","18:00:00",""
"1547724","37.63","0.013","6.3613","0.0019","16.724","0.006","90","","111.123","0.005","90","","3734","2","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","0.71075","MoKα","","0.0983","0.0702","","","0.1975","0.2263","","","","","","1.117","","","","has coordinates","202121","2020-10-21","18:00:00",""
"1547725","15.446","0.004","5.9493","0.0012","15.55","0.004","90","","103.722","0.008","90","","1388.1","0.6","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.6 H43 O6.9 -","- C24 H34 O6 -","- C48 H68 O12 -","2","1","","Leman-Loubière, Charlotte; Le Goff, Géraldine; Retailleau, Pascal; Debitus, Cécile; Ouazzani, Jamal","Sporothriolide-Related Compounds from the Fungus Hypoxylon monticulosum CLL-205 Isolated from a Sphaerocladina Sponge from the Tahiti Coast.","Journal of natural products","2017","80","10","2850","2854","10.1021/acs.jnatprod.7b00714","","","1.54187","CuKα","","0.1365","0.078","","","0.2001","0.2592","","","","","","1.001","","","","has coordinates","202671","2020-10-21","18:00:00",""
"1547726","10.0478","0.0018","10.1851","0.0017","10.8815","0.0019","95.641","0.004","114.147","0.004","108.576","0.004","929","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N O4 -","- C18 H29 N O4 -","- C36 H58 N2 O8 -","2","1","","Edwards, Peter M.; Schafer, Laurel L.","In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials.","Organic letters","2017","19","21","5720","5723","10.1021/acs.orglett.7b02149","","","0.71073","MoKα","","0.1297","0.0911","","","0.2214","0.2484","","","","","","1.05","","","","has coordinates","202844","2020-10-21","18:00:00",""
"1547727","21.142","0.004","9.442","0.002","14.826","0.003","90","0.03","90","0.03","90","0.03","2959.6","1","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-methoxyphenyl)-2,3,6-trimethylpiperidin-1-ium chloride","","- C15 H24 Cl N O -","- C15 H24 Cl N O -","- C120 H192 Cl8 N8 O8 -","8","2","","Edwards, Peter M.; Schafer, Laurel L.","In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials.","Organic letters","2017","19","21","5720","5723","10.1021/acs.orglett.7b02149","","","0.71073","MoKα","","0.0498","0.0354","","","0.0676","0.073","","","","","","0.982","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547728","8.3542","0.0012","11.7504","0.0015","11.9494","0.0015","102.671","0.004","106.404","0.004","97.121","0.004","1076","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C56 H42 N6 O6 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-Catalyzed Oxidative Cyclization of Benzamides with Maleimides: Synthesis of Isoindolone Spirosuccinimides.","Organic letters","2017","19","21","5884","5887","10.1021/acs.orglett.7b02873","","","0.71073","MoKα","","0.0875","0.0471","","","0.1199","0.1479","","","","","","0.878","","","","has coordinates","202846","2020-10-21","18:00:00",""
"1547729","9.49772","0.00017","7.06251","0.00013","13.2196","0.0002","90","","104.074","0.0019","90","","860.13","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N3 O4 P -","- C18 H18 N3 O4 P -","- C36 H36 N6 O8 P2 -","2","1","","Huang, Nan; Zou, Liangliang; Peng, Yungui","Enantioselective 1,3-Dipolar Cycloaddition of Methyleneindolinones with α-Diazomethylphosphonate to Access Chiral Spiro-phosphonylpyrazoline-oxindoles Catalyzed by Tertiary Amine Thiourea and 1,5-Diazabicyclo[4.3.0]non-5-ene.","Organic letters","2017","19","21","5806","5809","10.1021/acs.orglett.7b02763","","x-ray","1.54184","CuKα","","0.0413","0.0408","","","0.1081","0.1091","","","","","","0.915","","","","has coordinates","202856","2020-10-21","18:00:00",""
"1547730","39.0759","0.0005","39.0759","0.0005","7.99482","0.00013","90","","90","","120","","10572","0.3","93","","93","","","","","","","","","3","P 3","P 3","143","","","","- C27 H24 S6 -","- C27 H24 S6 -","- C486 H432 S108 -","18","6","","Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori","Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials","Chem. Sci.","2017","","","","","10.1039/C7SC03860G","","","1.54187","CuKα","","0.0923","0.0831","","","0.2176","0.2465","","","","","","1.085","","","","has coordinates,has disorder","202140","2020-10-21","18:00:00",""
"1547731","13.7708","0.0011","16.9234","0.0014","17.1467","0.0014","98.334","0.001","113.332","0.001","112.891","0.001","3162.1","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C117 H24 S6 -","- C117 H24 S6 -","- C234 H48 S12 -","2","1","","Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori","Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials","Chem. Sci.","2017","","","","","10.1039/C7SC03860G","","","0.71073","MoKα","","0.0424","0.0381","","","0.0927","0.0958","","","","","","1.014","","","","has coordinates,has disorder","202140","2020-10-21","18:00:00",""
"1547732","9.0699","0.0011","13.9562","0.0014","17.516","0.002","88.185","0.018","78.4","0.02","72.259","0.015","2067.6","0.5","93","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","2","","Nagamoto, Midori; Fukuda, Jun-Ichi; Hatano, Miyuki; Yorimitsu, Hideki; Nishimura, Takahiro","Hydroxoiridium-Catalyzed Hydroarylation of Alkynes and Bicycloalkenes with N-Sulfonylbenzamides.","Organic letters","2017","19","21","5952","5955","10.1021/acs.orglett.7b02950","","","1.54187","CuKα","","0.0345","0.0308","","","0.0823","0.0842","","","","","","1.055","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547733","7.7485","0.0019","8.638","0.002","11.316","0.003","78.953","0.004","72.382","0.003","65.252","0.003","653.7","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C36 H28 O4 -","2","1","","Fan, Jinming; Wang, Tao; Li, Chenchen; Wang, Rui; Lei, Xiaoyu; Liang, Yong; Zhang, Zunting","Synthesis of Benzoaryl-5-yl(2-hydroxyphenyl)methanones via Photoinduced Rearrangement of (E)-3-Arylvinyl-4H-chromen-4-ones.","Organic letters","2017","19","21","5984","5987","10.1021/acs.orglett.7b03007","","","0.71073","MoKα","","0.0485","0.0413","","","0.1234","0.1315","","","","","","1.042","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547734","17.5556","0.0005","17.5556","0.0005","14.122","0.0007","90","","90","","90","","4352.4","0.3","100","","100","","","","","","","","","4","I -4","I -4","82","","","","- C24 H30 N4 O2 -","- C24 H30 N4 O2 -","- C192 H240 N32 O16 -","8","1","","Zhang, Shang-Shi; Xia, Jie; Wu, Jia-Qiang; Liu, Xu-Ge; Zhou, Chu-Jun; Lin, E.; Li, Qingjiang; Huang, Shi-Liang; Wang, Honggen","Three-Component Catalytic Carboxygenation of Activated Alkenes Enabled by Bimetallic Rh(III)/Cu(II) Catalysis.","Organic letters","2017","19","21","5868","5871","10.1021/acs.orglett.7b02846","","x-ray","1.54184","CuKα","","0.0455","0.0436","","","0.1245","0.1266","","","","","","1.072","","","","has coordinates","202853","2020-10-21","18:00:00",""
"1547735","9.9109","0.0012","17.7633","0.0017","10.9397","0.0012","90","","100.598","0.011","90","","1893.1","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.0931","0.0592","","","0.1393","0.1644","","","","","","1.029","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547736","7.459","0.0006","15.314","0.0013","11.5062","0.0013","90","","91.057","0.008","90","","1314.1","0.2","170.1","","170.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.1095","0.0919","","","0.2381","0.2705","","","","","","1.056","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547737","12.1961","0.0013","9.8018","0.0011","19.978","0.002","90","","97.063","0.011","90","","2370.1","0.4","293","2","293.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C108 H124 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.0809","0.0611","","","0.133","0.1479","","","","","","1.073","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547738","8.5401","0.0006","11.6431","0.0012","19.9467","0.0016","90","","98.271","0.007","90","","1962.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.1099","0.0744","","","0.192","0.2258","","","","","","1.062","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547739","8.3616","0.0001","8.7783","0.0001","19.3853","0.0003","90","","90","","90","","1422.89","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.0298","0.0294","","","0.0801","0.0804","","","","","","1.152","","","","has coordinates","202860","2020-10-21","18:00:00",""
"1547740","16.1365","0.0006","7.3743","0.0003","11.6885","0.0005","90","","103.14","0.004","90","","1354.46","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F O2 -","- C18 H13 F O2 -","- C72 H52 F4 O8 -","4","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.0553","0.0525","","","0.1456","0.1499","","","","","","1.077","","","","has coordinates","202860","2020-10-21","18:00:00",""
"1547741","8.6474","0.0005","9.0011","0.0006","11.6253","0.0006","92.573","0.005","94.393","0.005","91.114","0.005","901.06","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.05","0.0479","","","0.132","0.1338","","","","","","1.04","","","","has coordinates","202860","2020-10-21","18:00:00",""
"1547742","14.4968","0.0008","10.5034","0.0006","15.0275","0.0008","90","","111.709","0.002","90","","2125.9","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 S -","- C25 H23 N O2 S -","- C100 H92 N4 O8 S4 -","4","1","","Wen, Jian; Cheng, Hanchao; Raabe, Gerhard; Bolm, Carsten","Rhodium-Catalyzed [4 + 3] Annulations of Sulfoximines with α,β-Unsaturated Ketones Leading to 1,2-Benzothiazepine 1-Oxides.","Organic letters","2017","19","21","6020","6023","10.1021/acs.orglett.7b03106","","","1.54178","CuKα","","0.046","0.045","","0.046","","0.046","","","0.995","","","1.011","","","","has coordinates","202863","2020-10-21","18:00:00",""
"1547759","7.51","","7.51","","7.51","","90","","90","","90","","423.565","","293","","293","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cu0.25 Te0.1667 -","- Cu0.25 Te0.166667 -","- Cu12 Te8 -","48","1","","Tom Willhammar; Kadir Sentosun; Stefanos Mourdikoudis; Bart Goris; Mert Kurttepeli; Marnik Bercx; Dirk Lamoen; Bart Partoens; Isabel Pastoriza-Santos; Jorge Perez-Juste; Luis M. Liz-Marzan; Sara Bals; Gustaaf Van Tendeloo","Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared","Nature Communications","2017","8","","14925","","10.1038/ncomms14925","","","0.0251","electron","","0.129","0.129","","0.125","0.125","","","","1.598","1.598","1.598","","","","","has coordinates","202189","2020-10-21","18:00:00",""
"1547760","7.925","0.0004","12.5953","0.0005","15.5199","0.0006","87.325","0.001","87.557","0.001","87.368","0.001","1544.57","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N3 O3 -","- C43 H29 N3 O3 -","- C86 H58 N6 O6 -","2","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.083","0.0462","","","0.0982","0.1172","","","","","","1.044","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547761","33.542","0.003","10.9252","0.0009","25.824","0.002","90","","124.876","0.002","90","","7763.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H24 F5 O5 Re S -","- C46 H24 F5 N2 O3 Re S -","- C368 H192 F40 N16 O24 Re8 S8 -","8","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.0305","0.0286","","","0.0725","0.0746","","","","","","1.042","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547762","10.5547","0.0013","13.5822","0.0019","17.121","0.003","107.906","0.005","102.148","0.005","104.773","0.004","2144.2","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 N3 O6 Re -","- C46 H28 N3 O6 Re -","- C92 H56 N6 O12 Re2 -","2","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","","0.71073","MoKα","","0.0329","0.0262","","","0.0577","0.0603","","","","","","1.04","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547763","30.947","0.002","10.5971","0.001","22.6459","0.0017","90","","107.749","0.008","90","","7073.2","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H25 F5 N2 S -","- C43 H25 F5 N2 S -","- C344 H200 F40 N16 S8 -","8","1","","Kumar, Ankit; Rajeswara Rao, M.; Lee, Way-Zen; Ravikanth, Mangalampalli","Hybrid Macrocycles of Subporphyrins and Triphyrins.","Organic letters","2017","19","21","5924","5927","10.1021/acs.orglett.7b02919","","x-ray","1.54184","CuKα","","0.2514","0.1596","","","0.3817","0.4582","","","","","","1.087","","","","has coordinates","202865","2020-10-21","18:00:00",""
"1547764","21.7439","0.0008","20.2524","0.0004","11.8321","0.0003","90","","90","","90","","5210.5","0.3","150","2","150","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C52 H58 F6 Ir N8 O4 P -","- C52 H58 F6 Ir N8 O4 P -","- C208 H232 F24 Ir4 N32 O16 P4 -","4","0.5","","Venkatesh, V.; Berrocal-Martin, Raul; Wedge, Christopher J.; Romero-Canelón, Isolda; Sanchez-Cano, Carlos; Song, Ji-Inn; Coverdale, James P. C.; Zhang, Pingyu; Clarkson, Guy J.; Habtemariam, Abraha; Magennis, Steven W.; Deeth, Robert J.; Sadler, Peter J.","Mitochondria-targeted spin-labelled luminescent iridium anticancer complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03216A","","x-ray","0.71073","MoKα","","0.1464","0.0626","","","0.1242","0.1537","","","","","","1.029","","","","has coordinates,has disorder","202245","2020-10-21","18:00:00",""
"1547765","14.578","0.002","13.1698","0.0017","19.698","0.003","90","","106.053","0.007","90","","3634.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 F2 N4 O12.5 -","- C28 H42 F2 N4 O12.5 -","- C112 H168 F8 N16 O50 -","4","2","","Burade, Sachin S.; Saha, Tanmoy; Bhuma, Naresh; Kumbhar, Navanath; Kotmale, Amol; Rajamohanan, Pattuparambil R.; Gonnade, Rajesh G.; Talukdar, Pinaki; Dhavale, Dilip D.","Self-Assembly of Fluorinated Sugar Amino Acid Derived α,γ-Cyclic Peptides into Transmembrane Anion Transport.","Organic letters","2017","19","21","5948","5951","10.1021/acs.orglett.7b02942","","","1.54178","CuKα","","0.1728","0.1345","","","0.3783","0.4271","","","","","","1.497","","","","has coordinates,has disorder","202864","2020-10-21","18:00:00",""
"1547766","11.3088","0.0007","13.4942","0.0007","27.4368","0.0013","90","","90","","90","","4186.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl0 N2 O5 S -","- C24 H20 N2 O5 S -","- C192 H160 N16 O40 S8 -","8","1","","Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids.","Organic letters","2017","19","21","5764","5767","10.1021/acs.orglett.7b02697","","x-ray","0.71073","MoKα","","0.089","0.0618","","","0.144","0.1649","","","","","","1.053","","","","has coordinates","202869","2020-10-21","18:00:00",""
"1547776","9.8304","0.0003","7.6333","0.0002","20.2122","0.0006","90","","102.819","0.002","90","","1478.89","0.07","299","2","298.83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30.5 H49 Cl O5 -","- C30.5 H49 Cl O5 -","- C61 H98 Cl2 O10 -","2","1","","Xiong, Juan; Wan, Jiang; Ding, Jie; Wang, Pei-Pei; Ma, Guang-Lei; Li, Jia; Hu, Jin-Feng","Camellianols A-G, Barrigenol-like Triterpenoids with PTP1B Inhibitory Effects from the Endangered Ornamental Plant Camellia crapnelliana.","Journal of natural products","2017","80","11","2874","2882","10.1021/acs.jnatprod.7b00241","","","1.54178","CuKα","","0.0753","0.0604","","","0.1535","0.1706","","","","","","1.051","","","","has coordinates,has disorder","203987","2020-10-21","18:00:00",""
"1547777","7.6012","0.0006","10.7068","0.0009","9.9472","0.0007","90","","100.274","0.0017","90","","796.57","0.11","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0666","","","","0.1408","","","","","","1.271","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547778","15.5091","0.0005","15.7579","0.0006","7.3886","0.0003","90","","90","","90","","1805.71","0.12","123","","123","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20 Br N O2 S2 -","- C17 H20 Br N O2 S2 -","- C68 H80 Br4 N4 O8 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.068","","","","0.066","","","","","","1.012","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547779","6.738","0.0003","17.0684","0.0008","17.5974","0.0007","90","","90","","90","","2023.82","0.15","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br N2 O2 S2 -","- C19 H23 Br N2 O2 S2 -","- C76 H92 Br4 N8 O8 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0451","","","","0.0466","","","","","","0.968","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547780","7.398","0.0003","10.7677","0.0004","10.053","0.0004","90","","100.666","0.0014","90","","786.98","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0489","","","","0.147","","","","","","1.89","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547781","9.6502","0.0002","10.1186","0.0001","9.806","0.0002","90","","112.655","0.002","90","","883.64","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Wang, Xu; Xiong, Wenfang; Huang, Yubing; Zhu, Jiayi; Hu, Qiong; Wu, Wanqing; Jiang, Huanfeng","Palladium-Catalyzed Synthesis of 1H-Indenes and Phthalimides via Isocyanide Insertion.","Organic letters","2017","19","21","5818","5821","10.1021/acs.orglett.7b02771","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.082","0.0833","","","","","","1.077","","","","has coordinates","202838","2020-10-21","18:00:00",""
"1547782","9.974","0.003","14.056","0.004","14.062","0.004","83.992","0.005","88.531","0.005","73.514","0.005","1880","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl2 N3 O4 S2 -","- C33 H31 Cl2 N3 O4 S2 -","- C66 H62 Cl4 N6 O8 S4 -","2","1","","An, Yuanyuan; Wu, Jie","Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.","Organic letters","2017","19","21","6028","6031","10.1021/acs.orglett.7b03195","","","0.71073","MoKα","","0.1005","0.0657","","","0.2033","0.2365","","","","","","0.976","","","","has coordinates","202840","2020-10-21","18:00:00",""
"1547783","7.9678","0.0018","10.943","0.003","15.044","0.004","90","","95.755","0.004","90","","1305.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 S2 -","- C27 H29 N3 O4 S2 -","- C54 H58 N6 O8 S4 -","2","1","","An, Yuanyuan; Wu, Jie","Synthesis of Tetrahydropyridine Derivatives through a Reaction of 1,6-Enynes, Sulfur Dioxide, and Aryldiazonium Tetrafluoroborates.","Organic letters","2017","19","21","6028","6031","10.1021/acs.orglett.7b03195","","","0.71073","MoKα","","0.0867","0.0514","","","0.106","0.1281","","","","","","1.018","","","","has coordinates","202840","2020-10-21","18:00:00",""
"1547784","6.1589","0.0006","7.3312","0.0008","38.746","0.004","90","","90","","90","","1749.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Maity, Sanjay; Saha, Mithu; Hazra, Gurupada; Ghorai, Prasanta","Switchable Chemoselectivity for Organocatalytic, Asymmetric Malononitrile Addition to ortho-Formyl Chalcones.","Organic letters","2017","19","21","5872","5875","10.1021/acs.orglett.7b02862","","","0.71073","MoKα","","0.0464","0.0318","","","0.0552","0.0581","","","","","","1.033","","","","has coordinates","202843","2020-10-21","18:00:00",""
"1547785","12.7986","0.001","16.9506","0.0016","10.2527","0.001","90","","108.443","0.003","90","","2110","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br F N2 O2 -","- C25 H16 Br F N2 O2 -","- C100 H64 Br4 F4 N8 O8 -","4","1","","Maity, Sanjay; Saha, Mithu; Hazra, Gurupada; Ghorai, Prasanta","Switchable Chemoselectivity for Organocatalytic, Asymmetric Malononitrile Addition to ortho-Formyl Chalcones.","Organic letters","2017","19","21","5872","5875","10.1021/acs.orglett.7b02862","","","0.71073","MoKα","","0.1231","0.0589","","","0.0892","0.1054","","","","","","1.04","","","","has coordinates","202843","2020-10-21","18:00:00",""
"1547786","12.624","","8.002","","19.474","","90","","96.48","","90","","1954.64","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Xia, Jintao; Kong, Lingheng; Zhou, Xukai; Zheng, Guangfan; Li, Xingwei","Access to Substituted Propenoic Acids via Rh(III)-Catalyzed C-H Allylation of (Hetero)Arenes with Methyleneoxetanones.","Organic letters","2017","19","21","5972","5975","10.1021/acs.orglett.7b02983","","","0.71073","MoKα","","0.1258","0.092","","","0.2606","0.2959","","","","","","1.094","","","","has coordinates","202847","2020-10-21","18:00:00",""
"1547787","13.2977","0.0002","5.57216","0.0001","25.8974","0.0005","90","","103.075","0.0007","90","","1869.17","0.06","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 O -","- C23 H19 F3 O -","- C92 H76 F12 O4 -","4","1","","Horino, Yoshikazu; Sugata, Miki; Mutsuura, Itaru; Tomohara, Keisuke; Abe, Hitoshi","Controllable Stereoselective Synthesis of (Z)- and (E)-Homoallylic Alcohols Using a Palladium-Catalyzed Three-Component Reaction.","Organic letters","2017","19","21","5968","5971","10.1021/acs.orglett.7b02979","","","1.54187","CuKα","","0.0493","0.0439","","","0.119","0.1253","","","","","","1.102","","","","has coordinates","202858","2020-10-21","18:00:00",""
"1547788","15.0345","0.0017","7.8241","0.0007","24.411","0.002","90","","100.874","0.004","90","","2819.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 Fe N2 O -","- C34 H26 Cl2 Fe N2 O -","- C136 H104 Cl8 Fe4 N8 O4 -","4","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.1802","0.0751","","","0.0873","0.1088","","","","","","1.024","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547789","12.674","0.0006","12.6962","0.0007","13.5789","0.0008","68.465","0.002","64.191","0.002","88.015","0.002","1809.18","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Fe N2 O -","- C44 H48 Fe N2 O -","- C88 H96 Fe2 N4 O2 -","2","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.0989","0.0664","","","0.1419","0.157","","","","","","1.029","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547790","7.3942","0.0006","18.6187","0.0013","20.9626","0.0017","90","","94.192","0.003","90","","2878.2","0.4","137","2","137","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Fe I2 N2 O -","- C34 H26 Fe I2 N2 O -","- C136 H104 Fe4 I8 N8 O4 -","4","1","","Sattar, Moh; Kumar, Sangit","Palladium-Catalyzed Removable 8-Aminoquinoline Assisted Chemo- and Regioselective Oxidative sp(2)-C-H/sp(3)-C-H Cross-Coupling of Ferrocene with Toluene Derivatives.","Organic letters","2017","19","21","5960","5963","10.1021/acs.orglett.7b02968","","","0.71073","MoKα","","0.1299","0.0689","","","0.1199","0.1391","","","","","","1.067","","","","has coordinates","202859","2020-10-21","18:00:00",""
"1547791","9.3208","0.0004","12.8006","0.0006","19.003","0.0009","90","","90","","90","","2267.28","0.18","290.64","0.1","290.64","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O3 -","- C26 H22 Br N3 O3 -","- C104 H88 Br4 N12 O12 -","4","1","","Zhang, Qian; Guo, Songsong; Yang, Jian; Yu, Kunru; Feng, Xiaoming; Lin, Lili; Liu, Xiaohua","Asymmetric Formal [3 + 2]-Cycloaddition of Azomethine Imines with Azlactones To Synthesize Bicyclic Pyrazolidinones.","Organic letters","2017","19","21","5826","5829","10.1021/acs.orglett.7b02772","","x-ray","1.54184","CuKα","","0.048","0.0469","","","0.1198","0.1214","","","","","","1.037","","","","has coordinates","202866","2020-10-21","18:00:00",""
"1547792","14.9581","0.0004","7.55701","0.0002","9.3623","0.0003","90","","107.339","0.003","90","","1010.21","0.05","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O4 Re -","- C6 H16 N O4 Re -","- C24 H64 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0189","0.0161","","","0.0367","0.0375","","","","","","1.089","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547793","9.674","0.0001","12.4192","0.0001","8.5156","0.0001","90","","108.736","0.001","90","","968.878","0.018","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N O4 Re -","- C7 H10 N O4 Re -","- C28 H40 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0157","0.015","","","0.0331","0.0333","","","","","","1.251","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547794","12.2151","0.0002","10.4607","0.0001","8.8902","0.0001","90","","105.704","0.002","90","","1093.57","0.03","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N O4 Re -","- C8 H12 N O4 Re -","- C32 H48 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0268","0.0205","","","0.0392","0.0413","","","","","","1.075","","","","has coordinates","202333","2020-10-21","18:00:00",""
"1547795","8.3466","0.0003","10.4128","0.0004","10.9082","0.0006","113.523","0.004","92.589","0.004","97.987","0.003","855.53","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 Br N O4 Re -","- C5 H5 Br N O4 Re -","- C20 H20 Br4 N4 O16 Re4 -","4","2","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.047","0.0422","","","0.1048","0.1085","","","","","","1.112","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547796","13.0504","0.0002","12.1955","0.0002","12.2542","0.0002","90","","95.553","0.002","90","","1941.18","0.05","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 N O4 Re -","- C6 H14 N O4 Re -","- C48 H112 N8 O32 Re8 -","8","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0172","0.0156","","","0.0337","0.0343","","","","","","1.157","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547797","8.9052","0.0002","8.4384","0.0001","10.9159","0.0002","90","","90.016","0.002","90","","820.28","0.03","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H24 N O4 Re -","- C14 H24 N O4 Re -","- C28 H48 N2 O8 Re2 -","2","0.5","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0214","0.0203","","","0.0442","0.0445","","","","","","1.308","","","","has coordinates,has disorder","202333","2020-10-21","18:00:00",""
"1547798","5.2446","0.0001","12.7123","0.0002","12.802","0.0002","90","","95.597","0.001","90","","849.45","0.02","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N O4 Re -","- C5 H5 Cl N O4 Re -","- C20 H20 Cl4 N4 O16 Re4 -","4","1","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.02","0.0181","","","0.0467","0.0477","","","","","","1.092","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547799","10.91","0.004","12.115","0.005","18.761","0.008","80.274","0.009","83.225","0.009","77.211","0.01","2375.1","1.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H6 Al F15 O -","- C26 H6 Al F15 O -","- C104 H24 Al4 F60 O4 -","4","2","","Lin, Fei; Wang, Meiyan; Cui, Dongmei","Renewable Benzofuran Polymerization Initiated by Lewis Acid Al(C6F5)3 and Mechanism","Macromolecules","2017","50","21","8449","","10.1021/acs.macromol.7b01928","","","0.71073","MoKα","","0.1561","0.0733","","","0.1741","0.2396","","","","","","0.973","","","","has coordinates","203998","2020-10-21","18:00:00",""
"1547800","7.3285","0.0002","9.4849","0.0002","40.0645","0.0008","90","","90","","90","","2784.89","0.11","291","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl Fe N2 -","- C27 H23 Cl Fe N2 -","- C108 H92 Cl4 Fe4 N8 -","4","1","","Chen, Zhixiong; Han, Lu; Tian, Shi-Kai","Activation and Substitution of 1-Ferrocenylalkylamines with Allenones: Application to Three-Component Synthesis of 4-(1-Ferrocenylalkyl)pyrazoles.","Organic letters","2017","19","21","5852","5855","10.1021/acs.orglett.7b02830","","","1.54184","CuKα","","0.0855","0.0708","","","0.1946","0.209","","","","","","1.064","","","","has coordinates","202857","2020-10-21","18:00:00",""
"1547801","12.931","0.005","10.477","0.004","18.151","0.007","90","","90","","90","","2459.1","1.6","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I O2 Se -","- C11 H11 I O2 Se -","- C88 H88 I8 O16 Se8 -","8","1","","Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C.","Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate.","Organic letters","2017","19","21","5748","5751","10.1021/acs.orglett.7b02571","","","0.71073","MoKα","","0.0654","0.0452","","","0.136","0.1517","","","","","","1.038","","","","has coordinates","202868","2020-10-21","18:00:00",""
"1547802","14.2597","0.0012","14.2597","0.0012","17.793","0.002","90","","90","","90","","3618","0.6","100","2","100.1","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C48 H46 Cl2 Eu F12 N8 O6.66 -","- C48 H46 Cl2 Eu F12 N8 O6.6665 -","- C96 H92 Cl4 Eu2 F24 N16 O13.333 -","2","","","Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.","Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging","Chem. Sci.","2017","","","","","10.1039/C7SC03142D","","","0.71073","MoKα","","0.1261","0.0986","","","0.2713","0.2933","","","","","","0.983","","","","has coordinates,has disorder","202364","2020-10-21","18:00:00",""
"1547803","10.8737","0.0014","26.268","0.004","11.667","0.0014","90","","117.775","0.007","90","","2948.5","0.7","100","2","100.1","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C48 H64 Cl3 Eu F12 N8 O11 -","- C48 H64 Cl3 Eu F12 N8 O11 -","- C96 H128 Cl6 Eu2 F24 N16 O22 -","2","0.5","","Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.","Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging","Chem. Sci.","2017","","","","","10.1039/C7SC03142D","","","0.71073","MoKα","","0.0767","0.0671","","","0.148","0.1534","","","","","","1.029","","","","has coordinates,has disorder","202364","2020-10-21","18:00:00",""
"1547804","36.5943","0.0012","36.5943","0.0012","6.7186","0.0002","90","","90","","120","","7791.8","0.4","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Zn2(pc-dobpdc)(DMA)2","","","- C22 H24 N2 O8 Zn2 -","- C22 H24 N2 O8 Zn2 -","- C198 H216 N18 O72 Zn18 -","9","","","Milner, Phillip John; Martell, Jeffrey Daniel; Siegelman, Rebecca; Gygi, David; Weston, Simon; Long, Jeffrey R.","Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc)","Chem. Sci.","2017","","","","","10.1039/C7SC04266C","","","0.7749","synchrotron","","0.0776","0.0595","","","0.1618","0.1712","","","","","","1.066","","","","has coordinates","202365","2020-10-21","18:00:00",""
"1547806","15.066","0.002","8.9311","0.0015","18.428","0.003","90","","109.998","0.005","90","","2330.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br F3 O2 -","- C27 H20 Br F3 O2 -","- C108 H80 Br4 F12 O8 -","4","2","","Zhang, Junyou; Wu, Hai-Hong; Zhang, Junliang","Enantioselective Phosphine-Catalyzed Allylic Alkylations of mix-Indene with MBH Carbonates.","Organic letters","2017","19","22","6080","6083","10.1021/acs.orglett.7b02895","","","0.71073","MoKα","","0.1082","0.0459","","","0.0709","0.0904","","","","","","1.001","","","","has coordinates","204890","2020-10-21","18:00:00",""
"1547807","10.91","0.005","13.241","0.008","14.469","0.007","103.07","0.02","106.042","0.017","113.592","0.019","1701","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H64 Cl4 N2 O12 -","- C76 H64 Cl4 N2 O12 -","- C76 H64 Cl4 N2 O12 -","1","0.5","","Li, Xiaoying; Poon, Chun-Ting; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Chan, Alan Kwun-Wa; Wu, Lixin; Yam, Vivian Wing-Wah","Multi-modulation for self-assemblies of amphiphilic rigid‒soft compounds through alteration of solution polarity and temperature","Soft Matter","2017","","","","","10.1039/C7SM01754E","","","0.71073","MoKα","","0.1225","0.0731","","","0.2118","0.2517","","","","","","1.055","","","","has coordinates,has disorder","202404","2020-10-21","18:00:00",""
"1547808","8.0683","0.0004","10.7464","0.0006","15.6155","0.0008","90","","90.89","0.002","90","","1353.78","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0404","0.0327","","","0.0861","0.0916","","","","","","1.034","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547809","15.441","0.003","8.3179","0.0016","10.6014","0.0018","90","","90","","90","","1361.6","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0263","0.0245","","","0.0616","0.0626","","","","","","1.096","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547810","8.6916","0.0006","10.2641","0.0007","15.4965","0.001","90","","90.186","0.002","90","","1382.46","0.16","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0934","0.0811","","","0.2905","0.2943","","","","","","1.535","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547811","8.266","0.002","10.917","0.002","15.734","0.003","90","0.03","95.82","0.03","90","0.03","1412.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br2 N3 O2 -","- C13 H9 Br2 N3 O2 -","- C52 H36 Br8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71075","MoKα","","0.0664","0.047","","","0.0954","0.1028","","","","","","1.053","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547812","9.8084","0.0007","10.7751","0.0008","13.9516","0.0009","103.219","0.003","94.907","0.003","91.018","0.003","1429.11","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br2 N3 O2 -","- C13 H9 Br2 N3 O2 -","- C52 H36 Br8 N12 O8 -","4","2","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0591","0.0478","","","0.1102","0.118","","","","","","1.042","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547813","8.2475","0.0009","10.8035","0.0011","15.7971","0.0015","90","","96.098","0.003","90","","1399.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br Cl N3 O2 -","- C13 H9 Br Cl N3 O2 -","- C52 H36 Br4 Cl4 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0391","0.0354","","","0.0963","0.099","","","","","","1.077","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547814","8.651","0.002","10.446","0.003","15.68","0.004","90","","94.116","0.011","90","","1413.3","0.6","368","2","368","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br Cl N3 O2 -","- C13 H9 Br Cl N3 O2 -","- C52 H36 Br4 Cl4 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.135","0.0878","","","0.1796","0.2015","","","","","","1.143","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547815","8.2946","0.0005","11.2673","0.0006","16.2177","0.001","90","","97.993","0.002","90","","1500.95","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-diiodo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-diiodo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 I2 N3 O2 -","- C13 H9 I2 N3 O2 -","- C52 H36 I8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0307","0.0272","","","0.067","0.0698","","","","","","1.111","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547816","7.897","0.002","10.396","0.002","14.989","0.003","90","0.03","92.27","0.03","90","0.03","1229.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-difluoro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-difluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 F2 N3 O2 -","- C13 H9 F2 N3 O2 -","- C52 H36 F8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71075","MoKα","","0.0716","0.0457","","","0.1088","0.1229","","","","","","1.096","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547820","11.4981","0.0006","8.6697","0.0004","19.4068","0.0011","90","","94.782","0.002","90","","1927.83","0.17","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Samineni, Ramesh; Madapa, Jaipal; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching Oxindoles and Ynones in a Domino Process: Access to Spirooxindoles and Application to a Short Synthesis of Spindomycin B.","Organic letters","2017","19","22","6152","6155","10.1021/acs.orglett.7b03030","","","0.71073","MoKα","","0.0512","0.0397","","","0.0843","0.0886","","","","","","1.167","","","","has coordinates","204883","2020-10-21","18:00:00",""
"1547821","16.581","0.003","10.7796","0.0019","17.25","0.003","90","","102.204","0.007","90","","3013.5","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Samineni, Ramesh; Madapa, Jaipal; Pabbaraja, Srihari; Mehta, Goverdhan","Stitching Oxindoles and Ynones in a Domino Process: Access to Spirooxindoles and Application to a Short Synthesis of Spindomycin B.","Organic letters","2017","19","22","6152","6155","10.1021/acs.orglett.7b03030","","","0.71073","MoKα","","0.1131","0.0872","","","0.2361","0.2519","","","","","","1.065","","","","has coordinates","204883","2020-10-21","18:00:00",""
"1547822","6.538","0.002","16.718","0.006","13.471","0.005","90","","90.09","0.008","90","","1472.4","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B O4 -","- C16 H19 B O4 -","- C64 H76 B4 O16 -","4","1","","Murai, Masahito; Mizuta, Chisato; Taniguchi, Ryuji; Takai, Kazuhiko","Synthesis of Borylcyclopropanes by Chromium-Promoted Cyclopropanation of Unactivated Alkenes.","Organic letters","2017","19","22","6104","6107","10.1021/acs.orglett.7b02956","","","0.71075","MoKα","","0.0905","0.0837","","","0.2473","0.2507","","","","","","1.12","","","","has coordinates","204885","2020-10-21","18:00:00",""
"1547823","19.911","0.01","5.551","0.003","30.35","0.02","90","","95.908","0.008","90","","3337","3","110","2","110","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C16 H26.5 O7.25 -","- C16 H26.5 O7.25 -","- C128 H212 O58 -","8","2","","Hurtak, Jessica A.; McDonald, Frank E.","Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.","Organic letters","2017","19","22","6036","6039","10.1021/acs.orglett.7b02538","","","0.71073","MoKα","","0.0694","0.053","","","0.1138","0.1229","","","","","","1.064","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547824","10.02693","0.00017","11.10793","0.00017","14.3797","0.0003","90","","90","","90","","1601.59","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 I O5 -","- C15 H25 I O5 -","- C60 H100 I4 O20 -","4","1","","Hurtak, Jessica A.; McDonald, Frank E.","Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.","Organic letters","2017","19","22","6036","6039","10.1021/acs.orglett.7b02538","","","0.71073","MoKα","","0.024","0.0238","","","0.0612","0.0613","","","","","","1.116","","","","has coordinates","204888","2020-10-21","18:00:00",""
"1547825","10.697","0.005","9.009","0.004","16.863","0.009","90","","106.217","0.008","90","","1560.4","1.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","","0.0365","","","","0.1036","","","","","","1.08","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547826","14.411","0.003","12.274","0.003","13.749","0.003","90","","112.87","0.002","90","","2240.8","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0386","","","","0.0917","","","","","","1.079","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547827","9.304","0.005","10.764","0.006","11.843","0.006","98.386","0.007","96.739","0.006","109.699","0.006","1086.9","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0486","","","","0.1207","","","","","","1.068","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547828","8.72","0.002","21.854","0.005","13.387","0.004","90","","104.956","0.005","90","","2464.7","1.1","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","0.0479","0.0412","","","0.095","0.0998","","","","","","1.043","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547829","9.377","0.002","10.292","0.002","12.467","0.004","75.494","0.017","70.702","0.016","64.502","0.015","1016.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O8 -","- C22 H22 N2 O8 -","- C44 H44 N4 O16 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","","0.0594","","","","0.1719","","","","","","1.063","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547830","11.1174","0.001","8.648","0.007","14.313","0.013","90","","92.161","0.016","90","","1375.1","1.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0841","","","","0.2447","","","","","","0.981","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547831","10.5546","0.0003","22.9756","0.0009","13.1098","0.0005","90","","98.657","0.003","90","","3142.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C136 H160 O24 S8 -","8","2","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","x-ray","0.71073","MoKα","","0.0641","0.0448","","","0.1254","0.1641","","","","","","1.147","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547832","11.018","0.011","11.202","0.011","12.907","0.011","76.79","0.04","79.73","0.04","84.52","0.04","1524","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.71075","MoKα","","0.0949","0.0691","","","0.1435","0.1587","","","","","","1.094","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547833","11.246","0.0011","11.3077","0.0018","11.3931","0.0019","86.918","0.011","62.751","0.006","68.161","0.009","1183.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","","0.7107","MoKα","","","0.0547","","","","0.1809","","","","","","1.079","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547834","11.5447","0.0007","17.0612","0.0009","12.493","0.0008","90","","113.393","0.007","90","","2258.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O5 S -","- C24 H29 N O5 S -","- C96 H116 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Anuradha, Dandela","Synthesis of Benzo[1,4]heterocycles using Palladium Catalyzed Heck Reaction to Vinylogous Carbonates/Carbamates: Unexpected Formation of Indoles via Carbopalladation Intercepted by Nucleopalladation.","Organic letters","2017","19","22","6136","6139","10.1021/acs.orglett.7b03016","","x-ray","0.71073","MoKα","","0.0749","0.0576","","","0.1417","0.1548","","","","","","1.072","","","","has coordinates","204889","2020-10-21","18:00:00",""
"1547837","11.34029","0.0001","10.58915","0.00008","11.42721","0.00011","90","","103.643","0.0009","90","","1333.51","0.02","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0384","0.0367","","","0.0989","0.1005","","","","","","1.047","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547838","11.6837","0.0003","6.49484","0.0002","18.4991","0.0006","90","","100.765","0.003","90","","1379.08","0.07","295","0.2","295","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0473","0.0394","","","0.1084","0.1154","","","","","","1.055","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547839","11.6837","0.0003","6.4948","0.0002","18.4991","0.0006","90","","100.765","0.003","90","","1379.07","0.07","295","0.2","295","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0473","0.0394","","","0.1078","0.1147","","","","","","1.046","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547840","12.01771","0.00012","6.66052","0.00007","18.21093","0.00019","90","","98.0021","0.0009","90","","1443.49","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","2","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.027","0.0263","","","0.0681","0.0687","","","","","","1.031","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547841","10.0991","0.0016","10.6816","0.0013","11.0208","0.0011","61.574","0.008","78.04","0.013","87.766","0.014","1020.4","0.2","133","2","133.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C46 H48 N4 O10 -","2","1","","Xie, Jialin; Huang, Yuanqiong; Song, Hongjian; Liu, Yuxiu; Wang, Qingmin","Copper-Catalyzed Aerobic Oxidative [2 + 3] Cyclization/Aromatization Cascade Reaction: Atom-Economical Access to Tetrasubstituted 4,5-Biscarbonyl Imidazoles.","Organic letters","2017","19","22","6056","6059","10.1021/acs.orglett.7b02767","","","0.71073","MoKα","","0.0619","0.055","","","0.1536","0.1608","","","","","","1.039","","","","has coordinates","204884","2020-10-21","18:00:00",""
"1547842","18.8797","0.0007","13.6265","0.0005","24.4476","0.0008","90","","94.0494","0.0011","90","","6273.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 I N3 O3 -","- C37 H32 I N3 O3 -","- C296 H256 I8 N24 O24 -","8","1","","Balalaie, Saeed; Mirzaie, Sattar; Nikbakht, Ali; Hamdan, Fatima; Rominger, Frank; Navari, Razieh; Bijanzadeh, Hamid Reza","Indium-Catalyzed Intramolecular Hydroamidation of Alkynes: An Exo-Dig Cyclization for the Synthesis of Pyranoquinolines through Post-Transformational Reaction.","Organic letters","2017","19","22","6124","6127","10.1021/acs.orglett.7b02603","","","0.71073","MoKα","","0.088","0.0513","","","0.1113","0.1271","","","","","","1.014","","","","has coordinates,has disorder","204893","2020-10-21","18:00:00",""
"1547844","12.7254","0.001","12.9133","0.0011","12.9402","0.001","62.081","0.001","62.803","0.001","89.87","0.001","1609.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[Co(dmso)6](BPh4)2","","- C60 H76 B2 Co O6 S6 -","- C60 H76 B2 Co O6 S6 -","- C60 H76 B2 Co O6 S6 -","1","0.5","","Sakiyama, Hiroshi; Sudo, Reiji; Abiko, Takaaki; Yoshioka, Daisuke; Mitsuhashi, Ryoji; Omote, Masataka; Mikuriya, Masahiro; Yoshitake, Megumi; Koikawa, Masayuki","Magneto-structural correlation of hexakis-dmso cobalt( <scp>ii</scp> ) complex","Dalton Transactions","2017","46","46","16306","16314","10.1039/C7DT03269B","","","0.71073","MoKα","","0.1048","0.057","","","0.1526","0.183","","","","","","0.949","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1547845","17.652","0.003","18.127","0.003","35.796","0.007","77.262","0.002","81.309","0.002","84.35","0.002","11019","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","Ag18(CCPh)14(PPh3)6Cl (SbPF6)4NEt3CH2Cl","","","- C227 H177 Ag18 Cl2 F24 N P6 Sb4 -","- C227 H177 Ag18 Cl2 F24 N P6 Sb4 -","- C454 H354 Ag36 Cl4 F48 N2 P12 Sb8 -","2","1","","Shen, Hui; Kubo, Kazuyuki; Kume, Shoko; Zhang, Limin; Mizuta, Tsutomu","Novel chloride-centered Ag <sub>18</sub> clusters featuring a cuboctahedral Ag <sub>12</sub> skeleton","Dalton Transactions","2017","46","46","16199","16204","10.1039/C7DT03195E","","","0.71073","MoKa","","0.1705","0.0838","","","0.2026","0.2445","","","","","","1.019","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1547846","18.465","0.002","19.82","0.002","20.121","0.003","117.453","0.001","116.671","0.001","92.003","0.002","5561","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C238 H196 Ag18 Cl F18 P6 Sb3 -","- C238 H196 Ag18 Cl F18 P6 Sb3 -","- C238 H196 Ag18 Cl F18 P6 Sb3 -","1","0.5","","Shen, Hui; Kubo, Kazuyuki; Kume, Shoko; Zhang, Limin; Mizuta, Tsutomu","Novel chloride-centered Ag <sub>18</sub> clusters featuring a cuboctahedral Ag <sub>12</sub> skeleton","Dalton Transactions","2017","46","46","16199","16204","10.1039/C7DT03195E","","","0.71073","MoKa","","0.0999","0.0524","","","0.121","0.1549","","","","","","1.02","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1547847","4.12829","0.00002","4.12829","0.00002","4.12829","0.00002","90","","90","","90","","70.3575","0.0006","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","BaNbO2N","","","- Ba N Nb O2 -","- Ba N0.9999 Nb O2.0001 -","- Ba N0.9999 Nb O2.0001 -","1","0.0208333","","Fujii, K.; Shimada, K.; Yashima, M.","Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction","Journal of the Ceramic Society of Japan","2017","125","","808","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","202475","2020-10-21","18:00:00",""
"1547848","5.71115","0.00004","5.71115","0.00004","8.10243","0.00006","90","","90","","90","","264.279","0.003","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","SrNbO2N","","","- N Nb O2 Sr -","- N0.9999 Nb O2.0001 Sr -","- N3.9996 Nb4 O8.0004 Sr4 -","4","0.125","","Fujii, K.; Shimada, K.; Yashima, M.","Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction","Journal of the Ceramic Society of Japan","2017","125","","808","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","202476","2020-10-21","18:00:00",""
"1547849","10.45","0.0003","10.45","0.0003","10.45","0.0003","90","","90","","90","","1141.17","0.06","","","","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","Ag0.93TaO2.97 0.94H2O","","","- Ag0.93 H1.88 O3.91 Ta -","- Ag0.92 O4.844 Ta -","- Ag14.72 O77.504 Ta16 -","16","","","Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.","Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate","Journal of the Ceramic Society of Japan","2017","125","","776","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","202477","2020-10-21","18:00:00",""
"1547850","5.286","0.003","5.286","0.003","5.286","0.003","90","","90","","90","","147.7","0.15","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Ag0.41Nb0.59O1.68","","","- Ag0.41 Nb0.59 O1.68 -","- Ag0.41 Nb0.59 O9.66 -","- Ag1.64 Nb2.36 O38.64 -","4","0.0208333","","Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.","Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate","Journal of the Ceramic Society of Japan","2017","125","","776","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","202478","2020-10-21","18:00:00",""
"1547851","9.0178","0.0004","10.4563","0.0004","16.4936","0.0009","90","","102.262","0.005","90","","1519.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Eburnamonine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.054","0.0423","","","0.114","0.1263","","","","","","1.042","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547852","8.79926","0.00016","12.3307","0.0003","14.2867","0.0003","90","","90","","90","","1550.12","0.06","143.1","0.4","143.1","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-19-Hydroxyeburnamine","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0279","0.0272","","","0.0705","0.0712","","","","","","1.067","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547853","9.0112","0.0003","9.8045","0.0005","10.2163","0.0004","89.964","0.003","78.459","0.003","76.61","0.004","859.33","0.06","145","1","145","1","","","","","","","","4","P 1","P 1","1","(-)-Eburnamine","","","- C19.5 H27 N2 O2 -","- C19.5 H27 N2 O2 -","- C39 H54 N4 O4 -","2","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.033","0.0327","","","0.0887","0.0891","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547854","12.7943","0.0004","8.5404","0.0002","17.244","0.0006","90","","108.984","0.004","90","","1781.74","0.1","157","2","157","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-Leucophyllidine","","","- C42 H52 N4 O3 -","- C42 H52 N4 O3 -","- C84 H104 N8 O6 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0602","0.0485","","","0.1151","0.123","","","","","","1.017","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547855","12.53164","0.00019","12.8094","0.0002","19.2522","0.0003","90","","90","","90","","3090.42","0.08","144","1","144","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Oxoeburnamonine","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0321","0.0304","","","0.0745","0.076","","","","","","1.041","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547856","9.69345","0.0001","9.69345","0.0001","32.9728","0.0004","90","","90","","90","","3098.22","0.06","146","1","146","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","(-)-19-Oxoisoeburnamine","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C152 H176 N16 O16 -","8","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0273","0.0268","","","0.0674","0.0676","","","","","","1.079","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547857","8.49956","0.00018","12.2136","0.0003","16.9889","0.0004","90","","90","","90","","1763.62","0.07","143.3","0.9","143.3","0.9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Hydroxy-O-ethylisoeburnamine","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0335","0.0318","","","0.0784","0.0805","","","","","","1.068","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547858","8.65954","0.00013","7.95159","0.00011","11.56157","0.00018","90","","98.5016","0.0015","90","","787.35","0.02","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-19-Hydroxyeburnamenine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0297","0.0294","","","0.0773","0.0777","","","","","","1.069","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547859","10.817","0.0004","11.6749","0.0005","16.4638","0.0006","97.305","0.002","96.365","0.002","108.875","0.002","1925.64","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","2","","Modi, Anju; Sau, Prasenjit; Patel, Bhisma K.","Base-Promoted Synthesis of Quinoline-4(1H)-thiones from o-Alkynylanilines and Aroyl Isothiocyanates.","Organic letters","2017","19","22","6128","6131","10.1021/acs.orglett.7b02993","","","0.71073","MoKα","","0.1108","0.0511","","","0.1369","0.1783","","","","","","0.913","","","","has coordinates","204886","2020-10-21","18:00:00",""
"1547860","26.4511","0.0004","26.4511","0.0004","11.7055","0.0002","90","","90","","120","","7092.64","0.19","200","2","200","2","","","","","","","","5","P 65","P 65","170","","","","- C30.16 H25.33 Cl0.33 N O2 -","- C30.167 H25.334 Cl0.334 N O2 -","- C362.004 H304.008 Cl4.008 N12 O24 -","12","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0329","0.0315","","","0.0897","0.0915","","","","","","0.971","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547861","23.9252","0.0005","10.3277","0.0002","12.9767","0.0003","90","","98.8598","0.0007","90","","3168.18","0.12","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H28 Br2 N2 O4.5 -","- C32 H28 Br2 N2 O4.5 -","- C128 H112 Br8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0308","0.0305","","","0.0872","0.0876","","","","","","1.05","","","","has coordinates,has disorder","204887","2020-10-21","18:00:00",""
"1547862","9.6966","0.0003","10.8744","0.0003","15.2236","0.0004","84.4918","0.0007","86.8253","0.0008","73.5134","0.0007","1531.48","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Br2 Cl3 N2 O4 -","- C31 H25 Br2 Cl3 N2 O4 -","- C62 H50 Br4 Cl6 N4 O8 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0333","0.0326","","","0.0811","0.0817","","","","","","1.026","","","","has coordinates","204887","2020-10-21","18:00:00",""
"1547863","24.0915","0.0005","9.3008","0.0002","12.4495","0.0003","90","","99.6191","0.0006","90","","2750.34","0.11","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31.5 H27 F2 N2 O4.5 -","- C31.5 H27 F2 N2 O4.5 -","- C126 H108 F8 N8 O18 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.","Organic letters","2017","19","22","6112","6115","10.1021/acs.orglett.7b02962","","","1.54178","CuKα","","0.0294","0.0293","","","0.0769","0.0771","","","","","","1.038","","","","has coordinates,has disorder","204887","2020-10-21","18:00:00",""
"1547864","9.7977","0.0002","32.2237","0.0006","12.8805","0.0003","90","","110.07","0.003","90","","3819.66","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 F3 Ir N4 O3 S -","- C43 H38 F3 Ir N4 O3 S -","- C172 H152 F12 Ir4 N16 O12 S4 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","0.71073","MoKα","","0.0394","0.0328","","","0.0635","0.066","","","","","","1.125","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547865","16.7446","0.0004","8.57762","0.00018","21.5557","0.0005","90","","112.277","0.003","90","","2864.94","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 Cl3 Ir N3 -","- C32 H27 Cl3 Ir N3 -","- C128 H108 Cl12 Ir4 N12 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","1.5418","CuKα","","0.0484","0.0385","","","0.1049","0.1114","","","","","","1.096","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547866","17.0427","0.0006","8.6872","0.0003","21.3383","0.0006","90","","109.838","0.004","90","","2971.73","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 Ir N3 -","- C33 H29 Cl3 Ir N3 -","- C132 H116 Cl12 Ir4 N12 -","4","1","","Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin","Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers","Catalysis Science & Technology","2017","","","","","10.1039/C7CY02013A","","","1.54184","CuKα","","0.047","0.0334","","","0.0737","0.0839","","","","","","1.071","","","","has coordinates","202505","2020-10-21","18:00:00",""
"1547867","36.2342","0.0007","11.182","0.0002","5.5197","0.0001","90","","90","","90","","2236.42","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ca(Mg0.631Fe0.369)B2O5","","kurchatovite","- B2 Ca Fe0.369 Mg0.631 O5 -","- B2 Ca Fe0.363333 Mg0.636667 O5 -","- B48 Ca24 Fe8.72 Mg15.28 O120 -","24","3","","Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I.","Kurchatovite from the Fuka mine, Okayama Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2017","112","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202519","2020-10-21","18:00:00",""
"1547868","9.036","0.002","5.18766","0.00012","21.6291","0.0005","90","","97.9987","0.0009","90","","1004","0.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","low-pressure CaAl0.4Si0.6O2.8 phase","","low-pressure CaAl0.4Si0.6O2.8 phase","- Al0.4 Ca O2.8 Si0.6 -","- Al0.4 Ca O2.8 Si0.6 -","- Al8 Ca20 O56 Si12 -","20","2.5","","Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.","Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.4Si0.6O2.8 phase","Physics and Chemistry of Minerals","2017","44","","717","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","202520","2020-10-21","18:00:00",""
"1547869","9.1372","0.0002","5.22418","0.00011","17.5119","0.0004","90","","100.011","0.0008","90","","823.19","0.03","","","","","","","","","","","","4","C 1 2 1","C 2y","5","low-pressure CaAl0.5Si0.5O2.75 phase model1","","low-pressure CaAl0.5Si0.5O2.75 phase model1","- Al0.5 Ca O2.75 Si0.5 -","- Al0.5 Ca O2.75 Si0.5 -","- Al8 Ca16 O44 Si8 -","16","4","","Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.","Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.5Si0.5O2.75 phase model1","Physics and Chemistry of Minerals","2017","44","","717","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","206911","2020-10-21","18:00:00",""
"1547870","18.8502","0.0005","9.25277","0.00017","20.4322","0.0005","90","","106.169","0.003","90","","3422.75","0.15","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H104 O12 -","- C80 H104 O12 -","- C160 H208 O24 -","2","0.5","","Yang, Liu-Pan; Jia, Fei; Pan, Fangfang; Pan, Zhi-Sheng; Rissanen, Kari; Jiang, Wei","Effects of side chains of oxatub[4]arene on its conformational interconversion, molecular recognition and macroscopic self-assembly","Chemical Communications","2017","53","93","12572","12575","10.1039/C7CC07630D","","x-ray","0.71073","MoKα","","0.0756","0.047","","","0.0998","0.1123","","","","","","1.025","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1547873","19.4293","0.0016","19.4293","0.0016","129.434","0.011","90","","90","","120","","42315","6","130","","130","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C192 H216 Au37.01 Cu S24 -","- C192 H216 Au37.004 Cu0.996 S24 -","- C1152 H1296 Au222.024 Cu5.976 S144 -","6","","","Chai, Jinsong; Lv, Ying; Yang, Sha; Song, Yongbo; Zan, Xiaofeng; Li, Qinzhen; Yu, Haizhu; Wu, Mingzai; Zhu, Manzhou","X-ray Crystal Structure and Optical Properties of Au38‒xCux(2,4-(CH3)2C6H3S)24 (x = 0‒6) Alloy Nanocluster","The Journal of Physical Chemistry C","2017","121","39","21665","","10.1021/acs.jpcc.7b05074","","","0.71073","MoKα","","0.0917","0.0527","","","0.1213","0.1395","","","","","","1.027","","","","has coordinates,has disorder","202633","2020-10-21","18:00:00",""
"1547874","14.3","0.0005","8.3251","0.0003","29.9248","0.001","90","","99.0075","0.0015","90","","3518.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","1","","Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides.","Organic letters","2017","19","21","6000","6003","10.1021/acs.orglett.7b03051","","","0.71073","MoKα","","0.0728","0.0464","","","0.1029","0.1175","","","","","","1.031","","","","has coordinates","202637","2020-10-21","18:00:00",""
"1547875","14.8321","0.0007","8.4143","0.0003","29.8348","0.0012","90","","97.4759","0.0019","90","","3691.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C160 H160 N16 O16 S8 -","8","1","","Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides.","Organic letters","2017","19","21","6000","6003","10.1021/acs.orglett.7b03051","","","0.71073","MoKα","","0.0854","0.0575","","","0.1485","0.1748","","","","","","1.023","","","","has coordinates","202638","2020-10-21","18:00:00",""
"1547876","8.006","0.014","12.99","0.02","14.7","0.02","90","","100.16","0.02","90","","1505","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","1","","Mondal, Ramij R.; Khamarui, Saikat; Maiti, Dilip K.","Photocatalytic Generation of Nitrenes for Rapid Diaziridination.","Organic letters","2017","19","21","5964","5967","10.1021/acs.orglett.7b02844","","","0.71073","MoKα","","0.078","0.0506","","","0.1306","0.1549","","","","","","0.863","","","","has coordinates","202639","2020-10-21","18:00:00",""
"1547886","18.6841","0.0007","18.6841","0.0007","34.6796","0.0017","90","","90","","90","","12106.5","0.9","120.03","0.1","120.03","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","MFM-188","","","- C92 H173 Cu4 N9 O49 S6 -","- C48 H30 Cu4 N4 O24 -","- C192 H120 Cu16 N16 O96 -","4","0.25","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","","x-ray","1.54184","CuKα","","0.1305","0.0855","","","0.2263","0.2746","","","","","","0.915","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547887","18.7721","0.0004","18.7721","0.0004","34.7704","0.0014","90","","90","","90","","12252.8","0.6","10","","10","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","MFM-188_empty","- C24 H11 Cu2 N2 O10 -","- C24 H11 Cu2 N2 O10 -","- C192 H88 Cu16 N16 O80 -","8","0.5","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","powder diffraction","","","neutron","","1.13032","","","","","","","","6.49093","","","","","","","has coordinates","202890","2020-10-21","18:00:00",""
"1547888","6.5268","0.0017","11.251","0.003","9.814","0.003","90","","105.271","0.007","90","","695.2","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum borate chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0111","0.0111","","","0.0286","0.0286","","","","","","1.037","","","","has coordinates","202892","2020-10-21","18:00:00",""
"1547889","8.1867","0.0004","14.5421","0.0007","9.8317","0.0005","90","","90.281","0.002","90","","1170.47","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium borate chloride","","","- B12 Cl2 Nd2 O29 -","- B12 Cl2 Nd2 O29 -","- B24 Cl4 Nd4 O58 -","2","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0393","0.0322","","","0.0685","0.0706","","","","","","1.148","","","","has coordinates","202893","2020-10-21","18:00:00",""
"1547890","8.7754","0.0017","27.454","0.005","6.8312","0.0012","90","","127.524","0.005","90","","1305.3","0.4","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Samarium borate","","","- B7 O17 Sm -","- B7 O17 Sm -","- B28 O68 Sm4 -","4","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0403","0.0318","","","0.07","0.0726","","","","","","1.089","","","","has coordinates","202894","2020-10-21","18:00:00",""
"1547891","6.8148","0.0008","7.1444","0.0009","12.7191","0.0015","96.093","0.003","98.513","0.003","101.75","0.003","593.64","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Europium borate","","","- B7 Eu O16 -","- B7 Eu O16 -","- B14 Eu2 O32 -","2","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0241","0.0227","","","0.0595","0.0598","","","","","","1.174","","","","has coordinates","202895","2020-10-21","18:00:00",""
"1547892","17.0783","0.0004","17.0783","0.0004","20.3077","0.0011","90","","90","","120","","5129.6","0.3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","Lutecium borate","","","- B24 Lu4 O49 -","- B24 Lu4 O49 -","- B144 Lu24 O294 -","6","0.333333","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0573","0.0364","","","0.0573","0.061","","","","","","1.173","","","","has coordinates","202896","2020-10-21","18:00:00",""
"1547893","11.0081","0.001","11.0439","0.0011","20.174","0.002","81.37","0.006","78.531","0.005","80.367","0.006","2352.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H72.5 N7 O13.25 -","- C41 H61 N7 O13.25 -","- C82 H122 N14 O26.5 -","2","2","","Sudipta Mondal; Maxim Varenik; Daniel Nir Bloch; Yoav Atsmon-Raz; Guy Jacoby; Lihi Adler-Abramovich; Linda J.W. Shimon; Roy Beck; Yifat Miller; Oren Regev; Ehud Gazit","A minimal length rigid helical peptide motif allows rational design of modular surfactants","Nature Communications","2017","8","","14018","","10.1038/ncomms14018","","","0.71073","MoKα","","0.0826","0.0556","","","0.1123","0.1266","","","","","","1.028","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547894","28.535","0.004","28.535","0.004","39.508","0.008","90","","90","","90","","32169","9","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H168 Cu24 O144 S8 -","- C208 H144 Cu24 O144 S8 -","- C416 H288 Cu48 O288 S16 -","2","0.125","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.70001","synchrotron","","0.1089","0.0877","","","0.2814","0.3004","","","","","","1.045","","","","has coordinates","202898","2020-10-21","18:00:00",""
"1547895","39.878","0.005","39.878","0.005","39.878","0.005","90","","90","","90","","63416","14","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1709","0.1486","","","0.3738","0.3923","","","","","","1.258","","","","has coordinates","202899","2020-10-21","18:00:00",""
"1547896","39.954","0.005","39.954","0.005","39.954","0.005","90","","90","","90","","63779","14","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1203","0.0963","","","0.2864","0.3278","","","","","","1.273","","","","has coordinates","202900","2020-10-21","18:00:00",""
"1547897","24.817","0.005","8.7512","0.0015","39.949","0.007","90","","90","","90","","8676","3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H40 Cl2 F12 Mg2 N2 O16 S4 -","- C20 H40 Cl2 F12 Mg2 N2 O16 S4 -","- C160 H320 Cl16 F96 Mg16 N16 O128 S32 -","8","2","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0475","0.0363","","","0.0703","0.074","","","","","","1.015","","","","has coordinates,has disorder","203992","2020-10-21","18:00:00",""
"1547898","12.3498","0.0008","16.4651","0.0011","35.607","0.002","80.016","0.003","81.571","0.003","85.031","0.003","7039.7","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H50 Al2 Cl12 Mg3 O10 -","- C20 H50 Al2 Cl12 Mg3 O10 -","- C120 H300 Al12 Cl72 Mg18 O60 -","6","6","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.1419","0.1387","","","0.3562","0.3586","","","","","","1.049","","","","has coordinates,has disorder","203992","2020-10-21","18:00:00",""
"1547899","26.523","0.003","7.284","0.0007","19.1745","0.0019","90","","90","","90","","3704.4","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H40 Al2 Cl10 Mg2 O8 -","- C16 H40 Al2 Cl10 Mg2 O8 -","- C64 H160 Al8 Cl40 Mg8 O32 -","4","1","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0241","0.021","","","0.0391","0.0417","","","","","","1.016","","","","has coordinates","203992","2020-10-21","18:00:00",""
"1547900","7.3174","0.0004","7.3446","0.0004","14.081","0.0007","83.146","0.002","85.655","0.002","62.313","0.002","665.14","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Cl2 Mg O4 -","- C8 H20 Cl2 Mg O4 -","- C16 H40 Cl4 Mg2 O8 -","2","1","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0273","0.0228","","","0.0545","0.0568","","","","","","1.034","","","","has coordinates","203992","2020-10-21","18:00:00",""
"1547901","23.2385","0.0007","13.4472","0.0005","16.6436","0.0005","90","","100.815","0.002","90","","5108.6","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Cl4 F12 Mg3 N2 O18 S4 -","- C24 H50 Cl4 F12 Mg3 N2 O18 S4 -","- C96 H200 Cl16 F48 Mg12 N8 O72 S16 -","4","0.5","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0713","0.0493","","","0.1179","0.1316","","","","","","1.029","","","","has coordinates","203992","2020-10-21","18:00:00",""
"1547902","5.975","0.002","9.973","0.005","16.775","0.007","89.621","0.014","81.3","0.01","76.862","0.011","961.8","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 O2 P2 -","- C46 H48 O2 P2 -","- C46 H48 O2 P2 -","1","0.5","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","x-ray","0.71073","MoKα","","0.0705","0.0466","","","0.101","0.1113","","","","","","1.064","","","","has coordinates","203993","2020-10-21","18:00:00",""
"1547903","19.497","0.003","7.603","0.0012","11.664","0.002","90","","90","","90","","1729","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","1","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","","0.71073","MoKα","","0.0616","0.0465","","","0.0982","0.1073","","","","","","1.02","","","","has coordinates","203993","2020-10-21","18:00:00",""
"1547904","13.2917","0.0018","7.5342","0.001","19.659","0.003","90","","90","","90","","1968.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H15 O P -","- C26 H15 O P -","- C104 H60 O4 P4 -","4","1","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine–Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","x-ray","0.71073","MoKα","","0.0423","0.0386","","","0.1025","0.1054","","","","","","1.0391","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1547905","9.8378","0.0011","10.0606","0.001","14.0335","0.0012","70.001","0.009","80.759","0.008","83.195","0.009","1285.2","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 Br O4 -","- C29 H33 Br O4 -","- C58 H66 Br2 O8 -","2","1","","Yang, Jun; Xu, Wenbo; Cui, Qi; Fan, Xing; Wang, Lu-Ning; Yu, Zhi-Xiang","Asymmetric Total Synthesis of (-)-Clovan-2,9-dione Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropane and CO.","Organic letters","2017","19","22","6040","6043","10.1021/acs.orglett.7b02656","","","0.71073","MoKα","","0.1742","0.0841","","","0.1968","0.2466","","","","","","1.036","","","","has coordinates","204892","2020-10-21","18:00:00",""
"1547906","11.9476","0.0005","5.9856","0.0003","12.3311","0.0005","90","","93.344","0.002","90","","880.34","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-56","gene577","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0271","0.0265","","","0.0678","0.0683","","","","","","1.056","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547907","10.6429","0.0012","17.14","0.002","19.551","0.002","90","","90","","90","","3566.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","68869-190","gene913","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C176 H128 Cl8 F24 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0636","0.0423","","","0.0934","0.1049","","","","","","1.038","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547908","5.973","0.0005","15.888","0.0014","18.3194","0.0016","90","","90","","90","","1738.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","60473-99","gene637","","- C22 H20 Cl F O -","- C22 H20 Cl F O -","- C88 H80 Cl4 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0376","0.0341","","","0.0801","0.0825","","","","","","1.045","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547909","8.6347","0.0005","10.9298","0.0007","16.4312","0.001","90","","93.191","0.001","90","","1548.3","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-158-7","gene832","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0559","0.0401","","","0.0903","0.0999","","","","","","1.061","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547910","9.7435","0.0006","20.96","0.0013","9.8864","0.0006","90","","113.368","0.001","90","","1853.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","68866-152-6","gene823","","- C23 H21 Cl -","- C23 H21 Cl -","- C92 H84 Cl4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.079","0.0597","","","0.1489","0.1654","","","","","","1.051","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547911","5.7244","0.0003","14.8287","0.0007","21.3598","0.0011","90","","97.293","0.002","90","","1798.47","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","68869-124-27","gene685","","- C22 H19 I -","- C22 H19 I -","- C88 H76 I4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0448","0.0439","","","0.1438","0.1464","","","","","","1.116","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547912","6.4515","0.0003","17.1888","0.0008","18.0877","0.0008","68.737","0.001","87.418","0.001","89.422","0.001","1867.33","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","71452-7","gene726","","- C23 H23 Cl O -","- C23 H23 Cl O -","- C92 H92 Cl4 O4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0625","0.0478","","","0.1131","0.1243","","","","","","1.052","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547913","6.1271","0.0003","16.148","0.0008","18.8563","0.0009","90.872","0.002","97.1","0.002","98.775","0.002","1828.57","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-141","gene837","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0347","0.0332","","","0.0804","0.0818","","","","","","1.031","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547914","11.7165","0.0004","6.0572","0.0002","24.9509","0.001","90","","94.48","0.002","90","","1765.33","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","60473-80","gene671","","- C22 H21 Cl O -","- C22 H21 Cl O -","- C88 H84 Cl4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0827","0.0669","","","0.1605","0.1715","","","","","","1.035","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547915","5.9827","0.0002","25.0699","0.0007","11.6168","0.0003","90","","90.887","0.002","90","","1742.14","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","60473-81","gene578","","- C23 H24 O -","- C23 H24 O -","- C92 H96 O4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0377","0.0337","","","0.0772","0.0794","","","","","","1.043","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547916","18.5748","0.0011","6.4645","0.0004","15.9299","0.0009","90","","107.348","0.002","90","","1825.8","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","68869-139","gene728","","- C23 H23 Cl O -","- C23 H23 Cl O -","- C92 H92 Cl4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0351","0.0322","","","0.079","0.0811","","","","","","1.028","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547917","12.1357","0.0004","6.0494","0.0002","25.0871","0.001","90","","96.515","0.001","90","","1829.84","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","60473-74","gene626","","- C22 H21 I O -","- C22 H21 I O -","- C88 H84 I4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0327","0.0298","","","0.0637","0.0649","","","","","","1.101","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547918","8.9407","0.0003","9.6685","0.0004","10.3518","0.0004","113.062","0.002","90.552","0.002","92.535","0.002","822.17","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-149-8","gene839","","- C22 H19 F -","- C22 H19 F -","- C44 H38 F2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0383","0.0365","","","0.091","0.0927","","","","","","1.054","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547919","17.524","0.0011","5.9716","0.0003","16.6106","0.001","90","","94.777","0.004","90","","1732.2","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","60473-25","gene583","","- C23 H24 O -","- C23 H24 O -","- C92 H96 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0391","0.035","","","0.0899","0.0935","","","","","","1.032","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547920","8.5228","0.0003","12.1509","0.0004","17.005","0.0006","72.107","0.001","89.784","0.001","82.281","0.001","1659.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-182","gene945","","- C20 H17 Cl S -","- C20 H17 Cl S -","- C80 H68 Cl4 S4 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0422","0.0404","","","0.1099","0.1117","","","","","","1.045","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547921","18.524","0.002","5.7934","0.0007","16.9793","0.0019","90","","105.284","0.003","90","","1757.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","60473-38","gene602","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0687","0.0493","","","0.123","0.1433","","","","","","1.054","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547922","10.1038","0.0007","8.9144","0.0007","18.5125","0.0012","90","","95.222","0.005","90","","1660.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-153-4","gene824","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.1353","0.0836","","","0.1612","0.1766","","","","","","1.092","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547923","9.5851","0.0003","9.9859","0.0003","10.2722","0.0003","78.476","0.002","66.039","0.002","75.513","0.002","864.54","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","60473-41","gene636","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0614","0.0457","","","0.1163","0.1263","","","","","","1.031","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547924","13.5127","0.0008","9.4159","0.0006","25.6168","0.0017","90","","90","","90","","3259.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","68869-192","gene948","","- C21 H19 N -","- C21 H19 N -","- C168 H152 N8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.052","0.0483","","","0.1322","0.1363","","","","","","1.057","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547925","6.1157","0.0005","7.6877","0.0007","35.725","0.003","88.193","0.009","85.251","0.006","82.371","0.005","1658.7","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","60473-70","gene596","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","4","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.2116","0.1609","","","0.3742","0.4076","","","","","","1.08","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547926","17.0051","0.001","7.463","0.0005","18.2727","0.0011","90","","97.403","0.001","90","","2299.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-142","gene727","","- C27 H30 O3 -","- C27 H30 O3 -","- C108 H120 O12 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0554","0.0434","","","0.1051","0.1134","","","","","","1.056","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547927","9.5964","0.0019","9.794","0.002","10.906","0.002","99.828","0.004","94.064","0.003","118.202","0.003","876.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-161-5","gene914","","- C23 H21 Cl -","- C23 H21 Cl -","- C46 H42 Cl2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0941","0.0557","","","0.1121","0.1302","","","","","","1.023","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547928","5.7206","0.0003","16.0457","0.001","18.9021","0.0012","90","","91.033","0.004","90","","1734.76","0.18","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","68869-150","gene833","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0856","0.0595","","","0.1332","0.1427","","","","","","1.105","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547929","10.7335","0.0005","14.9683","0.0007","20.7298","0.001","90","","103.232","0.001","90","","3242.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","68869-158-8","gene831","","- C37 H38 N O4 P -","- C37 H38 N O4 P -","- C148 H152 N4 O16 P4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0733","0.0484","","","0.1125","0.1279","","","","","","1.043","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547930","5.4926","0.0002","9.9685","0.0004","18.0281","0.0006","80.689","0.002","89.091","0.002","74.881","0.002","940.01","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","68869-159","gene838","","- C23 H21 Cl O -","- C23 H21 Cl O -","- C46 H42 Cl2 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0503","0.0392","","","0.0939","0.1008","","","","","","1.057","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547931","14.358","0.003","9.3991","0.0017","16.714","0.003","90","","104.03","0.006","90","","2188.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","68869-155","gene835","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.1023","0.0568","","","0.1388","0.1626","","","","","","1.041","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547932","11.7538","0.0005","5.9738","0.0002","12.1137","0.0005","90","","93.451","0.002","90","","849.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","60473-26","gene601","","- C22 H21 F O -","- C22 H21 F O -","- C44 H42 F2 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0814","0.0525","","","0.1058","0.1167","","","","","","1.046","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547933","8.7067","0.0009","9.2287","0.001","12.614","0.0013","77.052","0.002","72.793","0.002","64.314","0.002","867.09","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","68869-151","gene822","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0748","0.0457","","","0.1015","0.1172","","","","","","1.032","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547934","5.737","0.0003","15.6229","0.0007","18.8695","0.0008","90","","90","","90","","1691.25","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71452-12","gene836","","- C20 H19 Cl O S -","- C20 H19 Cl O S -","- C80 H76 Cl4 O4 S4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0389","0.0341","","","0.0778","0.0796","","","","","","1.059","","","","has coordinates,has disorder","204891","2020-10-21","18:00:00",""
"1547935","5.8455","0.0003","16.6918","0.0007","37.3464","0.0016","90","","90.567","0.003","90","","3643.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","68869-138","gene802","","- C23 H21 Cl O -","- C23 H21 Cl O -","- C184 H168 Cl8 O8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0856","0.0577","","","0.1511","0.1682","","","","","","1.027","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547936","6.5207","0.0005","16.0428","0.0011","17.9567","0.0008","83.358","0.005","86.821","0.005","80.353","0.006","1838.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","71452-5","gene787","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54184","CuKα","","0.0838","0.0678","","","0.2073","0.2201","","","","","","1.065","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547937","5.8984","0.0003","16.5715","0.0008","17.3993","0.0008","90","","90","","90","","1700.7","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","60473-72","gene603","","- C22 H21 F O -","- C22 H21 F O -","- C88 H84 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0538","0.0429","","","0.0881","0.0926","","","","","","1.091","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547938","8.2234","0.0005","8.767","0.0005","13.8661","0.0008","91.431","0.002","95.956","0.003","110.953","0.003","926.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","60473-10","gene658","","- C23 H23 Cl O2 -","- C23 H23 Cl O2 -","- C46 H46 Cl2 O4 -","2","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0363","0.0341","","","0.0872","0.0887","","","","","","1.058","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547939","5.9092","0.0003","13.9608","0.0005","39.1514","0.0016","90","","90","","90","","3229.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-17","gene865","","- C20 H20 O S -","- C20 H20 O S -","- C160 H160 O8 S8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0579","0.0436","","","0.0909","0.0963","","","","","","1.04","","","","has coordinates,has disorder","204891","2020-10-21","18:00:00",""
"1547940","16.1056","0.0005","18.6607","0.0005","5.7399","0.0002","90","","90","","90","","1725.08","0.09","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","68869-154-4","gene834","","- C22 H19 Cl -","- C22 H19 Cl -","- C88 H76 Cl4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0393","0.034","","","0.0785","0.0812","","","","","","1.055","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547941","20.898","0.0005","10.2307","0.0002","17.2114","0.0004","90","","109.785","0.001","90","","3462.6","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","68869-156-5","gene840","","- C22 H18 Cl F -","- C22 H18 Cl F -","- C176 H144 Cl8 F8 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","1.54178","CuKα","","0.0328","0.0304","","","0.0792","0.0813","","","","","","1.042","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547945","10.043","0.005","18.838","0.009","11.15","0.005","90","","113.174","0.006","90","","1939.3","1.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 O6 Si5 -","- C8 H24 O6 Si5 -","- C32 H96 O24 Si20 -","4","1","","Wu, Chunyan; Yu, Jianyi; li, qiaosheng; Liu, Yuzhou","High Molecular Weight Cyclic Polysiloxane from Organocatalytic Zwitterionic Polymerization of Constrained Spirocyclosiloxanes","Polymer Chemistry","2017","","","","","10.1039/C7PY01499F","","","0.71073","MoKα","","0.1533","0.0823","","","0.1789","0.2127","","","","","","1.019","","","","has coordinates","202999","2020-10-21","18:00:00",""
"1547946","17.6005","0.0004","18.7929","0.0005","26.8471","0.0006","89.303","0.002","84.834","0.002","86.718","0.002","8829.3","0.4","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C221.98 H400.98 Ag40.77 Au9.23 P0.25 S36 -","- C221.976 H401 Ag40.774 Au9.226 P0.25 S36 -","- C221.976 H401 Ag40.774 Au9.226 P0.25 S36 -","1","0.5","","Jin, Rongchao; Jin, Renxi; Zhao, Shuo; Liu, Chong; Zhou, Meng; Panapitiya, Gihan; Xing, Yan; Rosi, Nathaniel L.; Lewis, James P.","Controlling Ag-Doping in [AgxAu25-x(SC6H11)18]‒ Nanoclusters, Cryogenic Optical, Electronic and Electrocatalytic Properties","Nanoscale","2017","","","","","10.1039/C7NR05871C","","","1.54178","CuKα","","0.1354","0.0758","","","0.2103","0.2579","","","","","","1.011","","","","has coordinates,has disorder","203029","2020-10-21","18:00:00",""
"1547947","13.1207","0.001","15.5348","0.0011","22.321","0.0016","72.773","0.004","77.36","0.004","70.252","0.004","4054.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H91 Cl21 Fe N14 O6 -","- C51 H91 Cl21 Fe N14 O6 -","- C102 H182 Cl42 Fe2 N28 O12 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1641","0.0925","","","0.2475","0.2956","","","","","","1.027","","","","has coordinates,has disorder","203036","2020-10-21","18:00:00",""
"1547948","21.088","0.0004","21.0711","0.0004","29.6134","0.0005","90","","90","","90","","13158.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H78.56 As2 Fe N12 O19.28 -","- C60 H78.564 As2 Fe N12 O19.282 -","- C480 H628.512 As16 Fe8 N96 O154.256 -","8","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1337","0.0529","","","0.0961","0.123","","","","","","1.005","","","","has coordinates,has disorder","203037","2020-10-21","18:00:00",""
"1547949","9.4448","0.0006","12.0118","0.0008","12.3759","0.0008","87.085","0.004","73.158","0.004","84.015","0.004","1336.17","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H32 Ca Fe N12 O13 -","- C15 H32 Ca Fe N12 O13 -","- C30 H64 Ca2 Fe2 N24 O26 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1793","0.0745","","","0.1217","0.1589","","","","","","0.926","","","","has coordinates","203038","2020-10-21","18:00:00",""
"1547950","9.4226","0.0003","10.7168","0.0003","13.2648","0.0004","90","","90","","90","","1339.48","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0328","0.0276","","","0.0645","0.0705","","","","","","1.212","","","","has coordinates","203039","2020-10-21","18:00:00",""
"1547951","9.2129","0.0005","10.5779","0.0005","13.0532","0.0006","90","","90","","90","","1272.08","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0313","0.0286","","","0.0659","0.0687","","","","","","1.104","","","","has coordinates","203040","2020-10-21","18:00:00",""
"1547952","9.1029","0.001","10.5419","0.0009","12.9562","0.0008","90","","90","","90","","1243.3","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0589","0.0525","","","0.1326","0.1405","","","","","","1.109","","","","has coordinates","203041","2020-10-21","18:00:00",""
"1547953","9.0638","0.0003","10.4978","0.0003","12.9039","0.0004","90","","90","","90","","1227.81","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0298","0.0281","","","0.0668","0.0677","","","","","","1.189","","","","has coordinates","203042","2020-10-21","18:00:00",""
"1547954","8.9159","0.0005","12.7935","0.0006","10.4016","0.0005","90","","91.208","0.004","90","","1186.2","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.0739","0.0781","","","","","","1.098","","","","has coordinates","203043","2020-10-21","18:00:00",""
"1547955","8.873","0.001","12.778","0.0009","10.3459","0.001","90","","92.25","0.009","90","","1172.11","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0762","0.0777","","","","","","1.097","","","","has coordinates","203044","2020-10-21","18:00:00",""
"1547956","9.6089","0.0003","10.8491","0.0003","13.4542","0.0004","90","","90","","90","","1402.57","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0474","0.0307","","","0.0514","0.0547","","","","","","1.037","","","","has coordinates","203045","2020-10-21","18:00:00",""
"1547957","9.6184","0.0004","10.8488","0.0004","13.4471","0.0004","90","","90","","90","","1403.18","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0545","0.0457","","","0.1126","0.1187","","","","","","1.21","","","","has coordinates","203046","2020-10-21","18:00:00",""
"1547958","10.3829","0.0006","13.4805","0.0009","9.7632","0.0011","90","","90","","90","","1366.5","0.2","300","","300","","","","100000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0338","0.0301","","0.0342","0.0283","0.0283","","","","","","0.9127","","","","has coordinates","203047","2020-10-21","18:00:00",""
"1547959","10.2971","0.0005","13.4016","0.0009","9.6238","0.001","90","","90","","90","","1328.06","0.18","300","","300","","","","300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0298","0.0257","","0.0275","0.0222","0.0222","","","","","","0.9141","","","","has coordinates","203048","2020-10-21","18:00:00",""
"1547960","10.118","0.0006","13.259","0.002","9.3321","0.0006","90","","90","","90","","1251.9","0.2","300","","300","","","","1200000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0234","0.0178","","0.024","0.0197","0.0197","","","","","","0.881","","","","has coordinates","203049","2020-10-21","18:00:00",""
"1547961","10.0281","0.0005","13.122","0.002","9.1585","0.0005","90","","90","","90","","1205.2","0.2","300","","300","","","","1800000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0283","0.0234","","0.03","0.023","0.023","","","","","","0.9963","","","","has coordinates","203050","2020-10-21","18:00:00",""
"1547962","9.9548","0.001","12.959","0.005","9.0069","0.0011","90","","90","","90","","1161.9","0.5","300","","300","","","","2600000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0334","0.0287","","0.0382","0.0332","0.0332","","","","","","1.0081","","","","has coordinates","203051","2020-10-21","18:00:00",""
"1547963","9.835","0.002","12.816","0.015","8.746","0.003","90","","90","","90","","1102.4","1.4","300","","300","","","","4300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0948","0.0702","","0.0599","0.0508","0.0508","","","","","","1.1071","","","","has coordinates","203052","2020-10-21","18:00:00",""
"1547964","10.4093","0.0004","13.5203","0.0005","9.8134","0.0003","90","","90","","90","","1381.11","0.08","300","","300","","","","","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.71073","MoKα","","0.022","0.0194","","0.0206","0.0189","0.0189","","","","","","1.0682","","","","has coordinates","203053","2020-10-21","18:00:00",""
"1547965","10.261","0.0002","13.4766","0.0003","9.5069","0.0002","90","","90","","90","","1314.65","0.05","4","","4","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0151","0.0149","","","0.0339","0.034","","","","","","1.287","","","","has coordinates,has disorder","203054","2020-10-21","18:00:00",""
"1547966","9.4883","0.0003","10.7299","0.0004","13.3288","0.0005","90","","90","","90","","1356.99","0.08","4","2","3.93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0215","0.0205","","","0.0433","0.0437","","","","","","1.076","","","","has coordinates","203055","2020-10-21","18:00:00",""
"1547992","13.8759","0.00049","3.65767","0.00013","6.28415","0.00022","90","","99.0574","0.0012","90","","314.966","0.019","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd2 O8 S -","- Gd2 O8 S -","- Gd4 O16 S2 -","2","0.25","","Xuejiao Wang; Maxim Molokeev; Qi Zhu; Ji-Guang Li","Controlled Hydrothermal Crystallization of Anhydrous Ln2(OH)4SO4 as a New Family of Layered Rare-Earth Hydroxide (Ln=Eu-Lu and Y)","Chemistry A European Journal","2017","23","0","16034","16043","10.1002/chem.201703282","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.95","1.98","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1547996","31.7332","0.0011","25.7464","0.0004","20.982","0.0008","90","","132.711","0.006","90","","12596.1","1.4","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Tb -","- C62 H77 N4 P4 Si4 Tb -","- C496 H616 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0271","0.0244","","","0.0602","0.0616","","","","","","1.02","","","","has coordinates","203110","2020-10-21","18:00:00",""
"1547997","16.9671","0.0006","17.9463","0.0005","19.155","0.0006","71.281","0.003","64.086","0.003","65.421","0.003","4701.3","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 Ce K N4 O8 P4 Si4 -","- C89 H124 Ce K N4 O8 P4 Si4 -","- C178 H248 Ce2 K2 N8 O16 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0432","0.0415","","","0.1083","0.1109","","","","","","1.023","","","","has coordinates,has disorder","203111","2020-10-21","18:00:00",""
"1547998","16.9776","0.0006","17.8949","0.0006","19.1874","0.0007","71.135","0.003","64.209","0.004","65.333","0.003","4697.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 K N4 O8 P4 Pr Si4 -","- C89 H124 K N4 O8 P4 Pr Si4 -","- C178 H248 K2 N8 O16 P8 Pr2 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.058","0.0558","","","0.1517","0.1554","","","","","","1.048","","","","has coordinates,has disorder","203112","2020-10-21","18:00:00",""
"1547999","15.1657","0.0005","15.2813","0.0004","21.1867","0.0005","98.753","0.002","94.959","0.002","93.489","0.002","4821","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Tb -","- C90 H132 K N4 O10 P4 Si4 Tb -","- C180 H264 K2 N8 O20 P8 Si8 Tb2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0675","0.0589","","","0.1545","0.1641","","","","","","1.024","","","","has coordinates,has disorder","203113","2020-10-21","18:00:00",""
"1548000","12.5621","0.0002","13.937","0.0003","21.4408","0.0004","95.8269","0.0016","101.874","0.0014","109.053","0.0017","3414.01","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 Ce N4 P4 Si4 -","- C67 H88 Ce N4 P4 Si4 -","- C134 H176 Ce2 N8 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0749","0.0761","","","","","","1.023","","","","has coordinates,has disorder","203115","2020-10-21","18:00:00",""
"1548001","19.1815","0.0018","19.125","0.0019","12.1896","0.0012","90","","90","","90","","4471.7","0.8","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 U -","- C39 H60 N2 P2 Si4 U -","- C156 H240 N8 P8 Si16 U4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0948","0.0857","","","0.2269","0.2364","","","","","","1.044","","","","has coordinates,has disorder","203116","2020-10-21","18:00:00",""
"1548002","45.8315","0.0014","13.00211","0.00019","24.0634","0.0005","90","","104.354","0.003","90","","13891.9","0.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Pr Si4 -","- C69 H84 Ag N4 P4 Pr Si4 -","- C552 H672 Ag8 N32 P32 Pr8 Si32 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0445","0.0344","","","0.0778","0.0825","","","","","","1.019","","","","has coordinates","203117","2020-10-21","18:00:00",""
"1548003","12.6142","0.0006","13.8834","0.0005","21.4347","0.0008","95.968","0.003","101.233","0.003","109.178","0.004","3419.9","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 N4 P4 Si4 U -","- C62 H76 N4 P4 Si4 U -","- C124 H152 N8 P8 Si8 U2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.062","0.0531","","","0.1315","0.1408","","","","","","1.038","","","","has coordinates","203118","2020-10-21","18:00:00",""
"1548004","12.9528","0.0003","14.0462","0.0005","19.2134","0.0003","95.067","0.002","92.9824","0.0018","110.18","0.003","3255.49","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.5 H80 N4 P4 Si4 Th -","- C65.5 H80 N4 P4 Si4 Th -","- C131 H160 N8 P8 Si8 Th2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0609","0.0611","","","","","","1.045","","","","has coordinates,has disorder","203119","2020-10-21","18:00:00",""
"1548005","19.2611","0.0016","19.2083","0.0018","12.23","0.0011","90","","90","","90","","4524.8","0.7","90","2","90.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 Th -","- C39 H60 N2 P2 Si4 Th -","- C156 H240 N8 P8 Si16 Th4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","0.71073","MoKα","","0.1123","0.0828","","","0.2095","0.2391","","","","","","1.167","","","","has coordinates,has disorder","203120","2020-10-21","18:00:00",""
"1548006","45.786","0.003","12.9185","0.0007","24.1821","0.0012","90","","104.683","0.005","90","","13836.3","1.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Si4 Tb -","- C69 H84 Ag N4 P4 Si4 Tb -","- C552 H672 Ag8 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0389","0.0341","","","0.0835","0.087","","","","","","1.021","","","","has coordinates","203121","2020-10-21","18:00:00",""
"1548052","6.6783","0.0006","7.8355","0.0007","8.1648","0.0008","65.48","0.002","86.218","0.002","72.786","0.002","370.51","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PDJXC2-44","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C14 H8 Cl4 O4 -","2","1","","Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.","Pd-Catalyzed Ortho C-H Hydroxylation of Benzaldehydes Using a Transient Directing Group.","Organic letters","2017","19","23","6280","6283","10.1021/acs.orglett.7b02906","","","0.71073","MoKα","","0.0391","0.0307","","","0.077","0.0807","","","","","","1.043","","","","has coordinates","204894","2020-10-21","18:00:00",""
"1548058","11.0856","0.0007","12.1478","0.0009","17.3866","0.001","87.173","0.005","74.8","0.005","62.917","0.007","2005","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 F2 Ni O3 P2 S -","- C48 H36 F2 Ni O3 P2 S -","- C96 H72 F4 Ni2 O6 P4 S2 -","2","1","","Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle","Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes","Polymer Chemistry","2017","","","","","10.1039/C7PY01661A","","","1.54178","CuKα","","0.0844","0.0531","","","0.083","0.0934","","","","","","1.016","","","","has coordinates","203215","2020-10-21","18:00:00",""
"1548059","11.0906","0.001","18.6539","0.0012","21.985","0.0018","90","","114.088","0.003","90","","4152.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H80 Cl4 Ni2 O6 P4 S2 -","- C98 H80 Cl4 Ni2 O6 P4 S2 -","- C196 H160 Cl8 Ni4 O12 P8 S4 -","2","0.5","","Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle","Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes","Polymer Chemistry","2017","","","","","10.1039/C7PY01661A","","","1.54178","CuKα","","0.1013","0.0579","","","0.126","0.1468","","","","","","1.008","","","","has coordinates,has disorder","203215","2020-10-21","18:00:00",""
"1548060","20.5636","0.0016","12.4414","0.0007","20.1995","0.0014","90","","113.317","0.003","90","","4745.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Ni O5 P2 S -","- C54 H50 Ni O5 P2 S -","- C216 H200 Ni4 O20 P8 S4 -","4","1","","Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle","Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes","Polymer Chemistry","2017","","","","","10.1039/C7PY01661A","","","1.54178","CuKα","","0.1367","0.0655","","","0.131","0.157","","","","","","1.053","","","","has coordinates,has disorder","203215","2020-10-21","18:00:00",""
"1548065","11.5604","0.0009","13.805","0.0011","31.203","0.003","90","","93.357","0.002","90","","4971.2","0.7","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H73 Al Cl6 Mg2 N O7 Si2 -","- C34 H73 Al Cl6 Mg2 N O7 Si2 -","- C136 H292 Al4 Cl24 Mg8 N4 O28 Si8 -","4","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.1659","0.0792","","","0.1816","0.222","","","","","","1.015","","","","has coordinates","203247","2020-10-21","18:00:00",""
"1548066","26.533","0.005","7.3366","0.0014","19.239","0.004","90","","90","","90","","3745.1","1.3","175","","175.01","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H39 Al2 Cl10 Mg2 O8 -","- C16 H39 Al2 Cl10 Mg2 O8 -","- C64 H156 Al8 Cl40 Mg8 O32 -","4","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.122","0.1035","","","0.2926","0.3032","","","","","","1.038","","","","has coordinates","203248","2020-10-21","18:00:00",""
"1548067","36.905","0.005","13.215","0.002","20.962","0.003","90","","121.44","0.003","90","","8722","2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 B2 Cl6 F48 Mg4 O20 -","- C48 H68 B2 Cl6 F48 Mg4 O20 -","- C192 H272 B8 Cl24 F192 Mg16 O80 -","4","0.5","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.0895","0.0538","","","0.1426","0.1683","","","","","","1.025","","","","has coordinates","203249","2020-10-21","18:00:00",""
"1548068","13.389","0.005","14.252","0.005","16.825","0.006","108.785","0.01","90.513","0.01","114.274","0.009","2733.4","1.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 B Cl3 F24 Mg2 O10 -","- C36 H52 B Cl3 F24 Mg2 O10 -","- C72 H104 B2 Cl6 F48 Mg4 O20 -","2","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.2889","0.1167","","","0.2898","0.3644","","","","","","0.937","","","","has coordinates,has disorder","203250","2020-10-21","18:00:00",""
"1548109","13.60119","0.00016","13.65014","0.00016","14.87279","0.00015","90","","90","","90","","2761.25","0.05","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","Barium Fluoride Orthoborate","","- B7.25 Ba12 F2.25 O21.75 -","- B7.195 Ba12 F2.513 O21.582 -","- B28.78 Ba48 F10.052 O86.328 -","4","0.5","","Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Simonova, Ekaterina A.; Goryainov, Sergey V.","New fluoride borate with ‘anti-zeolite’ structure: A possible link to Ba 3 (BO 3 ) 2","Journal of Alloys and Compounds","2017","694","","1196","","10.1016/j.jallcom.2016.10.119","","","0.7107","MoKα","","0.0504","0.0368","","","0.0758","0.082","","","","","","1.058","","","","has coordinates","203309","2020-10-21","18:00:00",""
"1548119","18.06063","0.00019","9.22305","0.00012","20.6152","0.0002","90","","91.6998","0.0009","90","","3432.45","0.07","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C39 H54 O7 -","- C39 H54 O7 -","- C156 H216 O28 -","4","1","","Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi","Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase.","Journal of natural products","2017","80","12","3218","3223","10.1021/acs.jnatprod.7b00595","","x-ray","1.54184","CuKα","","0.0288","0.0282","","","0.073","0.0735","","","","","","1.043","","","","has coordinates","204787","2020-10-21","18:00:00",""
"1548120","10.9006","0.0006","7.8767","0.0005","11.1971","0.0006","90","","118.648","0.002","90","","843.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","salvifiline A /15-epi-salvifiline A","","","- C20 H22 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0321","0.0303","","","0.0724","0.0737","","","","","","1.072","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548121","10.9433","0.0012","7.8994","0.0009","11.2708","0.0017","90","","118.237","0.007","90","","858.4","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Polystachyne G/15-epi-polystachyne G","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.1919","0.1321","","","0.3358","0.3676","","","","","","1.148","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548122","7.7431","0.0007","14.6879","0.0014","14.9959","0.0014","90","","90","","90","","1705.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Polystachyne H","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0287","0.0284","","","0.075","0.0753","","","","","","1.062","","","","has coordinates","203989","2020-10-21","18:00:00",""
"1548123","14.357","0.004","19.656","0.006","20.951","0.006","70.348","0.005","89.603","0.006","82.381","0.006","5514","3","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H56 N Ni O2.5 P -","- C69 H56 N Ni O2.5 P -","- C276 H224 N4 Ni4 O10 P4 -","4","2","","Fu, Xia; Zhang, Lingjun; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Highly Robust Nickel Catalysts Containing Anilinonaphthoquinone Ligand for Copolymerization of Ethylene and Polar Monomers","Macromolecules","2017","50","23","9216","","10.1021/acs.macromol.7b01947","","","0.71073","MoKα","","0.1939","0.0876","","","0.2046","0.242","","","","","","0.873","","","","has coordinates","204877","2020-10-21","18:00:00",""
"1548124","9.3668","0.0009","25.991","0.003","13.6228","0.0012","90","","92.305","0.002","90","","3313.8","0.6","130","2","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N Ni O4 P -","- C42 N Ni O4 P -","- C168 N4 Ni4 O16 P4 -","4","1","","Fu, Xia; Zhang, Lingjun; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Highly Robust Nickel Catalysts Containing Anilinonaphthoquinone Ligand for Copolymerization of Ethylene and Polar Monomers","Macromolecules","2017","50","23","9216","","10.1021/acs.macromol.7b01947","","","0.71073","MoKα","","0.0848","0.0505","","","0.1097","0.1247","","","","","","0.997","","","","has coordinates","204877","2020-10-21","18:00:00",""
"1548125","7.7845","0.0007","10.4296","0.0009","11.802","0.001","85.724","0.002","74.803","0.002","69.047","0.002","863.35","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhu, Zhengbo; Lv, Xin; Anesini, Jason E.; Seidel, Daniel","Synthesis of Polycyclic Imidazolidinones via Amine Redox-Annulation.","Organic letters","2017","19","23","6424","6427","10.1021/acs.orglett.7b03309","","","0.71073","MoKα","","0.076","0.0641","","","0.1444","0.1509","","","","","","1.109","","","","has coordinates","204895","2020-10-21","18:00:00",""
"1548126","10.6445","0.0005","18.8991","0.001","11.1931","0.0006","90","","109.71","0.001","90","","2119.81","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O -","- C29 H24 N2 O -","- C116 H96 N8 O4 -","4","1","","Zhu, Zhengbo; Lv, Xin; Anesini, Jason E.; Seidel, Daniel","Synthesis of Polycyclic Imidazolidinones via Amine Redox-Annulation.","Organic letters","2017","19","23","6424","6427","10.1021/acs.orglett.7b03309","","","0.71073","MoKα","","0.0627","0.0545","","","0.1343","0.1399","","","","","","1.069","","","","has coordinates","204895","2020-10-21","18:00:00",""
"1548127","13.726","0.003","15.964","0.003","7.7194","0.0015","90","","111.03","0.03","90","","1578.8","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0367","0.036","","","0.0872","0.0878","","","","","","1.041","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548128","6.3553","0.0013","14.813","0.003","17.085","0.003","90","","95.7","0.03","90","","1600.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0792","0.0699","","","0.1207","0.1248","","","","","","1.23","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548129","6.1967","0.0002","11.195","0.0003","12.7835","0.0003","110.691","0.002","92.738","0.002","93.838","0.002","825.33","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C36 H34 N2 O10 S2 -","2","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0587","0.0469","","","0.1101","0.1207","","","","","","1.036","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548130","5.7561","0.0012","10.135","0.002","20.636","0.004","90","","90","","90","","1203.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C48 H52 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0799","0.0587","","","0.1004","0.1081","","","","","","1.122","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548135","16.144","0.004","12.088","0.003","24.02","0.006","90","","93.228","0.005","90","","4680","2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Tp(Pr)MoO(OPh)(mu-S)Cu(Me3TACN)]","","","- C35 H57 B Cu Mo N10 O2 S -","- C35 H57 B Cu Mo N10 O2 S -","- C140 H228 B4 Cu4 Mo4 N40 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.1864","0.0814","","","0.1789","0.2075","","","","","","0.819","","","","has coordinates,has disorder","203402","2020-10-21","18:00:00",""
"1548136","11.6337","0.0018","27.995","0.004","14.248","0.002","90","","106.27","0.004","90","","4454.5","1.1","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Tp(Pr)MoO(OC6H4-2-tBu)(mu-S)Cu(Me3TACN)]","","","- C39 H65 B Cu Mo N10 O2 S -","- C39 H65 B Cu Mo N10 O2 S -","- C156 H260 B4 Cu4 Mo4 N40 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.193","0.0686","","","0.0934","0.1229","","","","","","0.74","","","","has coordinates","203402","2020-10-21","18:00:00",""
"1548137","16.5","0.016","27.26","0.03","13.249","0.014","90","","90","","90","","5959","11","130","2","130","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Tp(Pr)MoO(OC6H4-4-Ph)(mu-S)Cu(Me3TACN)]","","","- C43 H64 B Cu Mo N11 O2 S -","- C43 H64 B Cu Mo N11 O2 S -","- C172 H256 B4 Cu4 Mo4 N44 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.087","0.0395","","","0.0594","0.0642","","","","","","0.685","","","","has coordinates","203402","2020-10-21","18:00:00",""
"1548138","22.477","0.003","11.9547","0.0018","39.141","0.007","90","","92.546","0.009","90","","10507","3","130","0.2","130","0.2","","","","","","","","8","i_1_2/c_1","-I 2yc","15","[Tp(Pr)MoO(OC6H4-2-sBu)(mu-S)Cu(Me3TACN)]","","","- C39 H65 B Cu Mo N10 O2 S -","- C39 H65 B Cu Mo N10 O2 S -","- C312 H520 B8 Cu8 Mo8 N80 O16 S8 -","8","","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.1858","0.0744","","","0.1477","0.1865","","","","","","0.845","","","","has coordinates,has disorder","203402","2020-10-21","18:00:00",""
"1548140","24.2616","0.0018","7.3548","0.0005","26.7947","0.0019","90","","108.147","0.008","90","","4543.4","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-3-(hydroxy(5-(4-methylpent-3-en-1-yl)-1,2,3,6- tetrahydro-[1,1'-biphenyl]-2-yl)methylene)-6-methoxycyclohex-5 -ene-1,2,4-trione","","- C26 H28 O6 -","- C26 H28 O6 -","- C208 H224 O48 -","8","2","","Gény, Charlotte; Abou Samra, Alma; Retailleau, Pascal; Iorga, Bogdan I.; Nedev, Hristo; Awang, Khalijah; Roussi, Fanny; Litaudon, Marc; Dumontet, Vincent","(+)- and (-)-Ecarlottones, Uncommon Chalconoids from Fissistigma latifolium with Pro-Apoptotic Activity.","Journal of natural products","2017","80","12","3179","3185","10.1021/acs.jnatprod.7b00494","","","1.54187","CuKα","","0.1095","0.0669","","","0.1387","0.1602","","","","","","1.031","","","","has coordinates","204791","2020-10-21","18:00:00",""
"1548146","18.4018","0.0006","17.2253","0.0004","18.0341","0.0006","90","","113.208","0.004","90","","5253.8","0.3","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 F3 N4 Na O8 -","- C22 H32 F3 N4 Na O8 -","- C176 H256 F24 N32 Na8 O64 -","8","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0563","0.0394","","","0.0846","0.0932","","","","","","1.022","","","","has coordinates,has disorder","204873","2020-10-21","18:00:00",""
"1548147","9.52266","0.00009","9.79219","0.0001","21.7134","0.0002","90","","90","","90","","2024.72","0.03","100","0.3","100","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 F3 N4 Na O5 -","- C16 H20 F3 N4 Na O5 -","- C64 H80 F12 N16 Na4 O20 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0226","0.022","","","0.0578","0.0584","","","","","","1.074","","","","has coordinates","204873","2020-10-21","18:00:00",""
"1548148","9.2466","0.0004","17.7798","0.0008","14.7018","0.0007","90","","102.101","0.004","90","","2363.31","0.19","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F3 N4 Na O6 -","- C18 H24 F3 N4 Na O6 -","- C72 H96 F12 N16 Na4 O24 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0558","0.0391","","","0.0866","0.0957","","","","","","1.032","","","","has coordinates,has disorder","204873","2020-10-21","18:00:00",""
"1548149","15.02929","0.00014","22.3663","0.0002","25.749","0.0002","90.0006","0.0008","90.0093","0.0007","102.862","0.0008","8438.34","0.13","100","0.4","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F3 N4 Na O5 -","- C16 H22 F3 N4 Na O5 -","- C256 H352 F48 N64 Na16 O80 -","16","8","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","1.54184","CuKα","","0.0593","0.0558","","","0.1497","0.1541","","","","","","1.013","","","","has coordinates,has disorder","282761","2023-04-20","06:46:01",""
"1548150","9.3885","0.0002","10.2919","0.0003","10.7572","0.0003","82.713","0.002","67.371","0.002","74.624","0.002","924.7","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 F6 N8 Na2 O8 -","- C28 H36 F6 N8 Na2 O8 -","- C28 H36 F6 N8 Na2 O8 -","1","0.5","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0323","0.029","","","0.0727","0.0756","","","","","","1.033","","","","has coordinates","204873","2020-10-21","18:00:00",""
"1548151","20.2366","0.0003","9.67468","0.00017","16.1201","0.0002","90","","96.6933","0.0014","90","","3134.52","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F3 N4 Na O3 -","- C12 H14 F3 N4 Na O3 -","- C96 H112 F24 N32 Na8 O24 -","8","2","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0791","0.0838","","","","","","1.03","","","","has coordinates","204873","2020-10-21","18:00:00",""
"1548152","37.2006","0.0003","12.80126","0.00012","7.46127","0.00007","90","","90","","90","","3553.17","0.06","100","2","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H20 F9 N12 Na3 O4 -","- C26 H20 F9 N12 Na3 O4 -","- C104 H80 F36 N48 Na12 O16 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.038","0.0377","","","0.0983","0.0986","","","","","","1.114","","","","has coordinates,has disorder","204873","2020-10-21","18:00:00",""
"1548153","16.0906","0.0002","8.8916","0.0001","16.8789","0.0002","90","","94.97","0.001","90","","2405.8","0.05","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F3 N4 Na O -","- C10 H8 F3 N4 Na O -","- C80 H64 F24 N32 Na8 O8 -","8","2","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","1.54184","CuKα","","0.0349","0.0313","","","0.0841","0.0875","","","","","","1.055","","","","has coordinates,has disorder","282761","2023-04-20","06:46:01",""
"1548154","14.416","0.0011","14.7963","0.0012","17.426","0.0013","76.484","0.001","70.21","0.002","85.968","0.001","3400.5","0.5","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H49 Cl2 Fe N2 O2 -","- C33.5 H49 Cl2 Fe N2 O2 -","- C134 H196 Cl8 Fe4 N8 O8 -","4","2","","Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong","Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation","Macromolecules","2017","50","23","9188","","10.1021/acs.macromol.7b01766","","","0.71073","","","0.1003","0.0639","","","0.1544","0.1782","","","","","","1.037","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1548155","13.6653","0.0008","23.8896","0.0013","10.7995","0.0006","90","","99.536","0.001","90","","3476.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl Fe N2 O2 -","- C36 H52 Cl Fe N2 O2 -","- C144 H208 Cl4 Fe4 N8 O8 -","4","1","","Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong","Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation","Macromolecules","2017","50","23","9188","","10.1021/acs.macromol.7b01766","","","0.71073","","","0.0798","0.0695","","","0.1658","0.17","","","","","","1.002","","","","has coordinates,has disorder","204876","2020-10-21","18:00:00",""
"1548156","15.5968","0.0006","38.1771","0.0015","11.0526","0.0005","90","","90","","90","","6581.2","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H46 Cl Fe N2 O2 -","- C30.815 Cl Fe N2 O2 -","- C246.52 Cl8 Fe8 N16 O16 -","8","1","","Duan, Ranlong; Hu, Chenyang; Li, Xiang; Pang, Xuan; Sun, Zhiqiang; Chen, Xuesi; Wang, Xianhong","Air-Stable Salen‒Iron Complexes: Stereoselective Catalysts for Lactide and ε-Caprolactone Polymerization through in Situ Initiation","Macromolecules","2017","50","23","9188","","10.1021/acs.macromol.7b01766","","","0.71073","","","0.0783","0.0587","","","0.1484","0.1602","","","","","","1.037","","","","has coordinates,has disorder","204876","2020-10-21","18:00:00",""
"1548278","6.618","0.0001","11.0447","0.0001","9.5463","0.0001","90","","97.521","0.001","90","","691.773","0.014","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0292","0.0291","","","0.0734","0.0735","","","","","","1.088","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548279","9.3421","0.0001","19.9924","0.0002","9.4989","0.0001","90","","101.955","0.001","90","","1735.64","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","2","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.044","0.0432","","","0.1197","0.1206","","","","","","1.054","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548280","6.6645","0.0002","14.5838","0.0005","16.6379","0.0005","90","","90","","90","","1617.1","0.09","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0385","0.0375","","","0.1008","0.1021","","","","","","1.056","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548281","10.5798","0.0002","11.3154","0.0002","12.4063","0.0002","90","","90","","90","","1485.22","0.05","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.038","0.0357","","","0.1089","0.1125","","","","","","0.946","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548282","9.8726","0.0001","12.6801","0.0001","18.1414","0.0002","90","","92.315","0.001","90","","2269.19","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0367","0.0342","","","0.0896","0.0917","","","","","","1.05","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548283","19.2834","0.0019","10.8405","0.0009","24.0533","0.0013","90","","90.22","0.007","90","","5028.1","0.7","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 N2 O6 -","- C50 H60 N2 O6 -","- C200 H240 N8 O24 -","4","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.1692","0.1138","","","0.3275","0.3803","","","","","","1.13","","","","has coordinates,has disorder","204788","2020-10-21","18:00:00",""
"1548284","21.8292","0.0003","15.8674","0.0002","12.3179","0.0002","90","","91.099","0.001","90","","4265.8","0.11","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C184 H216 N8 O32 -","8","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0395","0.0358","","","0.0953","0.0987","","","","","","1.03","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548285","12.4371","0.0001","14.4844","0.0001","22.3921","0.0002","90","","98.146","0.001","90","","3993.1","0.06","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0443","0.0386","","","0.1005","0.1046","","","","","","1.03","","","","has coordinates,has disorder","204788","2020-10-21","18:00:00",""
"1548286","9.2101","0.0003","20.2873","0.0007","21.287","0.0011","90","","96.731","0.004","90","","3950","0.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","0.71073","MoKα","","0.0904","0.0477","","","0.101","0.1194","","","","","","1.025","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548287","6.662","0.0006","11.5786","0.0011","25.333","0.002","90","","90","","90","","1954.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoK/a","","0.0497","0.0444","","","0.0915","0.0967","","","","","","2.555","","","","has coordinates","275205","2022-05-07","03:35:09",""
"1548288","7.764","0.0007","10.8733","0.001","24.687","0.002","90","","90","","90","","2084.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoKα","","0.0511","0.0468","","","0.1127","0.1134","","","","","","3.193","","","","has coordinates","204789","2020-10-21","18:00:00",""
"1548289","14.3972","0.0004","6.525","0.0002","15.8944","0.0005","90","","110.13","0.003","90","","1401.94","0.08","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H48 O7 -","- C28 H48 O7 -","- C56 H96 O14 -","2","1","","Woo, Jung-Kyun; Ha, Thi Kim Quy; Oh, Dong-Chan; Oh, Won-Keun; Oh, Ki-Bong; Shin, Jongheon","Polyoxygenated Steroids from the Sponge Clathria gombawuiensis.","Journal of natural products","2017","80","12","3224","3233","10.1021/acs.jnatprod.7b00651","","x-ray","1.54184","CuKα","","0.066","0.061","","","0.1847","0.1927","","","","","","1.519","","","","has coordinates","204792","2020-10-21","18:00:00",""
"1548290","7.4908","0.0008","11.994","0.0009","12.0878","0.0012","65.066","0.005","83.917","0.008","77.77","0.007","962.28","0.16","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 B F2 N3 S4 -","- C20 H10 B F2 N3 S4 -","- C40 H20 B2 F4 N6 S8 -","2","1","","Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan","Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents","The Journal of Physical Chemistry C","2017","121","48","27009","","10.1021/acs.jpcc.7b09667","","","0.71073","MoKα","","0.0431","0.0417","","","0.1214","0.1228","","","","","","1.061","","","","has coordinates","204874","2020-10-21","18:00:00",""
"1548291","9.4685","0.0014","12.8918","0.0018","12.7084","0.0019","90","","101.357","0.003","90","","1520.9","0.4","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B F2 N3 S2 -","- C16 H10 B F2 N3 S2 -","- C64 H40 B4 F8 N12 S8 -","4","1","","Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan","Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents","The Journal of Physical Chemistry C","2017","121","48","27009","","10.1021/acs.jpcc.7b09667","","","0.71073","MoKα","","0.0374","0.033","","","0.0943","0.0957","","","","","","1.077","","","","has coordinates,has disorder","204874","2020-10-21","18:00:00",""
"1548328","7.3007","0.0019","10.496","0.007","10.861","0.001","70.26","0.08","77","0.06","81.658","0.01","761.1","0.7","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","2","","Zhang, Dewu; Guo, Jiamei; Zhang, Min; Liu, Xiao; Ba, Mingyu; Tao, Xiaoyu; Yu, Liyan; Guo, Ying; Dai, Jungui","Oxazole-Containing Diterpenoids from Cell Cultures of Salvia miltiorrhiza and Their Anti-HIV-1 Activities.","Journal of natural products","2017","80","12","3241","3246","10.1021/acs.jnatprod.7b00659","","","1.54178","CuKα","","0.0457","0.0455","","","0.1175","0.1184","","","","","","1.043","","","","has coordinates","204790","2020-10-21","18:00:00",""
"1548339","9.2188","0.0009","28.76","0.003","9.2188","0.0009","90","","112.73","","90","","2254.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H27 Al2 N2 O15 P3 -","- C10 H27 Al2 N2 O15 P3 -","- C40 H108 Al8 N8 O60 P12 -","4","1","","Jiancong Liu; Ning Wang; Yue Yu; Yan Yan; Hongyue Zhang; Jiyang Li; Jihong Yu","Carbon dots in zeolites: A new class of thermally activated delayed fluorescence materials with ultralong lifetimes","Science Advances","2017","3","","1603171","","10.1126/sciadv.1603171","","","0.71073","MoKα","","0.1012","0.0784","","","0.2103","0.2295","","","","","","0.956","","","","has coordinates","203824","2020-10-21","18:00:00",""
"1548344","3.19186","0.00002","3.19186","0.00002","5.18498","0.00004","90","","90","","120","","45.7473","0.0005","299","2","299","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ga0.3333 Ge0.3333 N Zn0.3333 -","- Ga0.3333 Ge0.3333 N Zn0.3333 -","- Ga0.6666 Ge0.6666 N2 Zn0.6666 -","2","0.166667","","Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi","Quaternary Wurtzitic Nitrides in the System ZnGeN2‒GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst","The Journal of Physical Chemistry C","2017","121","49","27590","","10.1021/acs.jpcc.7b09135","powder diffraction","","1.54059","CuKα~1~","","0.01336","","","","","","0.01207","0.0237","1.1743","","","","","","","has coordinates","204875","2020-10-21","18:00:00",""
"1548348","7.232","","11.76","","17.16","","90","","90","","90","","1459.43","","100","","100","","","","","","","","","4","P c a b","-P 2bc 2ac","61","paracetamol","N-(4-hydroxyfenyl)ethanamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana","Hydrogen positions in single nanocrystals revealed by electron diffraction","Science","2017","355","6321","166","169","10.1126/science.aak9652","","electron","0.0335","electron","","0.1845","0.0906","","","0.0931","0.0976","","","","3.73","3.73","2.63","","","","has coordinates","203860","2020-10-21","18:00:00",""
"1548349","8.4589","0.0006","16.5069","0.0005","5.0726","0.0002","90","","90.086","0.005","90","","708.29","0.06","94.98","0.1","94.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 Co1.13 H11.223 O20 P4 -","- Al2 Co1.129 H11.224 O20 P4 -","- Al4 Co2.258 H22.448 O40 P8 -","2","0.5","","Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana","Hydrogen positions in single nanocrystals revealed by electron diffraction","Science","2017","355","6321","166","169","10.1126/science.aak9652","","x-ray","0.71073","MoKα","","0.0423","0.0306","","","0.0305","0.0322","","","","1.44","1.44","1.39","","","","has coordinates","203861","2020-10-21","18:00:00",""
"1548350","8.395","0.005","16.3","0.03","5.033","0.007","90","","90.44","0.11","90","","688.7","1.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 Co1.224 H10.954 O20 P4 -","- Al2 Co1.224 H10.956 O20 P4 -","- Al4 Co2.448 H21.912 O40 P8 -","2","0.5","","Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana","Hydrogen positions in single nanocrystals revealed by electron diffraction","Science","2017","355","6321","166","169","10.1126/science.aak9652","","electron","0.0335","electron","","0.1799","0.1072","","","0.1057","0.1088","","","","4.53","4.53","3.49","","","","has coordinates","203862","2020-10-21","18:00:00",""
"1548361","5.3618","0.0006","15.15","0.002","10.5728","0.0011","90","","92.826","0.009","90","","857.8","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","","Gérardy, Romaric; Winter, Marc; Horn, Clemens R.; Vizza, Alessandra; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Continuous-Flow Preparation of γ-Butyrolactone Scaffolds from Renewable Fumaric and Itaconic Acids under Photosensitized Conditions","Organic Process Research & Development","2017","21","12","2012","","10.1021/acs.oprd.7b00314","","x-ray","1.54184","CuKα","","0.099","0.0756","","","0.1691","0.1956","","","","","","1.099","","","","has coordinates,has disorder","204879","2020-10-21","18:00:00",""
"1548369","26.009","0.004","26.009","0.004","9.8065","0.0017","90","","90","","120","","5745","1.6","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","[Th3(bptc)3(O)(H2O)3.78][(Cl)(C5H14N3Cl)(H2O)8]","","","- C15 H7 O7.59 Th -","- C15 H7 O7.59333 Th -","- C90 H42 O45.56 Th6 -","6","0.5","","Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants","Nature Communications","2017","8","","1354","","10.1038/s41467-017-01208-w","","","0.71073","MoKα","","0.0777","0.0764","","","0.1895","0.1903","","","","","","1.103","","","","has coordinates,has disorder","203932","2020-10-21","18:00:00",""
"1548375","22.4857","0.0003","22.4857","0.0003","11.0509","0.0002","90","","90","","120","","4838.84","0.13","100","2","100","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H18 Cu3 N18 O15 -","- C36 H18 Cu3 N18 O15 -","- C108 H54 Cu9 N54 O45 -","3","0.166667","","Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong","Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework","Nature Communications","2017","8","","1233","","10.1038/s41467-017-01166-3","","","1.54184","CuKα","","0.065","0.0584","","","0.1757","0.1845","","","","","","1.121","","","","has coordinates,has disorder","203938","2020-10-21","18:00:00",""
"1548376","12.5821","0.0009","12.6326","0.0008","12.9076","0.0008","88.937","0.005","79.854","0.005","66.759","0.006","1852.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H13 B Cl3 F15 N2 O -","- C32 H13 B Cl3 F15 N2 O -","- C64 H26 B2 Cl6 F30 N4 O2 -","2","1","","Lewis C. Wilkins; Nicolo Santi; Louis Y. P. Luk; Rebecca L. Melen","Reactions of biologically inspired hydride sources with B(C6F5)3","Philosophical Transactions of the Royal Society A","2017","375","","1","12","10.1098/rsta.2017.0009","","","1.54178","CuKα","","0.0662","0.0478","","","0.1253","0.1409","","","","","","1.026","","","","has coordinates,has disorder","203939","2020-10-21","18:00:00",""
"1548377","5.4904","0.0001","11.4912","0.0003","6.4556","0.0001","90","","95.571","0.002","90","","405.368","0.014","20","0.1","20","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Tidey, Jeremiah P.; Zhurov, Vladimir V.; Gianopoulos, Christopher G.; Zhurova, Elizabeth A.; Pinkerton, A. Alan","Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50.","The journal of physical chemistry. A","2017","121","46","8962","8972","10.1021/acs.jpca.7b09367","","","0.71073","MoKα","","0.007","0.007","","","","0.005","0.008","","","","","1.333","","","","has coordinates","203944","2020-10-21","18:00:00",""
"1548378","23.4747","0.0014","18.168","0.001","17.265","0.0018","90","","124.479","0.001","90","","6069.8","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H33 B Cl6 F24 N2 -","- C60 H33 B Cl6 F24 N2 -","- C240 H132 B4 Cl24 F96 N8 -","4","0.5","","Gurinov, Andrei A.; Denisov, Gleb S.; Borissova, Alexandra O.; Goloveshkin, Alexander S.; Greindl, Julian; Limbach, Hans-Heinrich; Shenderovich, Ilya G.","NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size.","The journal of physical chemistry. A","2017","121","45","8697","8705","10.1021/acs.jpca.7b09285","","","0.71073","MoKα","","0.0957","0.0699","","","0.1883","0.2147","","","","","","1.033","","","","has coordinates,has disorder","203945","2020-10-21","18:00:00",""
"1548379","24.307","0.004","18.043","0.003","19.611","0.004","90","","133.202","0.003","90","","6270","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H47 B F24 N2 -","- C72 H46.5 B F24 N2 -","- C288 H186 B4 F96 N8 -","4","0.5","","Gurinov, Andrei A.; Denisov, Gleb S.; Borissova, Alexandra O.; Goloveshkin, Alexander S.; Greindl, Julian; Limbach, Hans-Heinrich; Shenderovich, Ilya G.","NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size.","The journal of physical chemistry. A","2017","121","45","8697","8705","10.1021/acs.jpca.7b09285","","","0.71073","MoKα","","0.098","0.0584","","","0.1442","0.1708","","","","","","1.023","","","","has coordinates,has disorder","203946","2020-10-21","18:00:00",""
"1548394","27.72","","27.72","","39.4","","90","","90","","120","","26218.8","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi441 Mn273 O987 -","1","1","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203972","2020-10-21","18:00:00",""
"1548395","27.72","","27.72","","78.8","","90","","90","","120","","52437.7","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi882 Mn546 O1974 -","2","2","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203973","2020-10-21","18:00:00",""
"1548398","33.9594","0.0019","8.3689","0.0005","19.1807","0.0011","90","","96.408","0.002","90","","5417.2","0.5","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C256 H232 Cl8 N16 O32 S8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1466","0.0595","","","0.1126","0.1517","","","","","","1.022","","","","has coordinates","204072","2020-10-21","18:00:00",""
"1548399","8.9003","0.0003","13.1778","0.0004","13.2084","0.0004","108.296","0.001","102.628","0.001","99.444","0.001","1389.26","0.08","","","160.01","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C64 H58 Cl2 N4 O8 S2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.057","0.0466","","","0.0972","0.1025","","","","","","1.092","","","","has coordinates","204073","2020-10-21","18:00:00",""
"1548400","9.6736","0.0007","12.6142","0.0009","12.7109","0.0009","108.99","0.002","99.303","0.002","96.865","0.002","1422.5","0.18","","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Br N2 O5 P -","- C29 H32 Br N2 O5 P -","- C58 H64 Br2 N4 O10 P2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0675","0.0521","","","0.1544","0.1701","","","","","","1.052","","","","has coordinates","204075","2020-10-21","18:00:00",""
"1548401","8.9464","0.0009","16.7038","0.0015","19.5947","0.0018","90","","90","","90","","2928.2","0.5","","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C128 H116 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.067","0.0529","","","0.1206","0.1283","","","","","","1.047","","","","has coordinates","204076","2020-10-21","18:00:00",""
"1548402","8.9148","0.0006","16.9063","0.0012","19.8682","0.0014","90","","90","","90","","2994.5","0.4","","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl N2 O4 S -","- C33 H31 Cl N2 O4 S -","- C132 H124 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0682","0.0438","","","0.1001","0.113","","","","","","1.009","","","","has coordinates","204077","2020-10-21","18:00:00",""
"1548403","24.051","0.002","11.1897","0.0008","20.9345","0.0015","90","","93.412","0.005","90","","5624","0.7","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl N2 O4 P -","- C28 H32 Cl N2 O4 P -","- C224 H256 Cl8 N16 O32 P8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1833","0.1252","","","0.3351","0.3965","","","","","","1.065","","","","has coordinates","204078","2020-10-21","18:00:00",""
"1548404","10.0939","0.0006","24.1607","0.0014","9.0663","0.0005","90","","112.346","0.002","90","","2045","0.2","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O2 -","- C24 H19 Cl2 N O2 -","- C96 H76 Cl8 N4 O8 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0466","0.035","","","0.079","0.0857","","","","","","1.04","","","","has coordinates","204079","2020-10-21","18:00:00",""
"1548405","5.9996","0.0003","4.9812","0.0003","18.7925","0.001","90","","91.68","0.004","90","","561.38","0.05","","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Br O S -","- C14 H9 Br O S -","- C28 H18 Br2 O2 S2 -","2","1","","Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter","Regioselective synthesis of C3 alkylated and arylated benzothiophenes","Nature Communications","2017","8","","14801","","10.1038/ncomms14801","","x-ray","1.54178","CuKα","","0.0432","0.0411","","","0.11","0.1114","","","","","","1.065","","","","has coordinates","204080","2020-10-21","18:00:00",""
"1548406","8.0485","0.0008","10.3008","0.0011","24.936","0.002","90","","90.873","0.002","90","","2067.1","0.3","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Yan-Yun Liu; Xu-Heng Yang; Ren-Jie Song; Shenglian Luo; Jin-Heng Li","Oxidative 1,2-carboamination of alkenes with alkyl nitriles and amines toward gamma-amino alkyl nitriles","Nature Communications","2017","8","","14720","","10.1038/ncomms14720","","x-ray","0.71069","MoKα","","0.0902","0.0511","","","0.1153","0.1345","","","","","","1.028","","","","has coordinates","204081","2020-10-21","18:00:00",""
"1548413","50.0474","0.0006","50.0474","0.0006","32.7348","0.0004","90","","90","","120","","71007.4","1.5","150","2","150.15","","","","","","","","","6","R -3","-R 3","148","","","","- C109 H96 Ag16 F32 N16 O45 -","- C109 H96 Ag16 F32 N16 O45 -","- C1962 H1728 Ag288 F576 N288 O810 -","18","","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","x-ray","0.71073","MoKα","","0.0682","0.0565","","","0.1114","0.1158","","","","","","1.124","","","","has coordinates","204149","2020-10-21","18:00:00",""
"1548414","25.1849","0.0004","25.1849","0.0004","33.2733","0.0007","90","","90","","120","","18277.1","0.6","298","2","298","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C12 H12 Ag2 F4 N2 O4 -","- C12 H12 Ag2 F4 N2 O4 -","- C432 H432 Ag72 F144 N72 O144 -","36","","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","x-ray","0.71073","MoKα","","0.0317","0.0276","","","0.0734","0.0757","","","","","","1.07","","","","has coordinates","287943","2023-12-01","18:00:38",""
"1548415","10.5304","0.001","5.6409","0.0005","12.1404","0.001","90","","90.863","0.006","90","","721.07","0.11","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag2 F4 N2 O4 -","- C12 H12 Ag2 F4 N2 O4 -","- C24 H24 Ag4 F8 N4 O8 -","2","0.5","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","","0.71073","MoKα","","0.0264","0.0215","","","0.0495","0.0512","","","","","","1.067","","","","has coordinates","204151","2020-10-21","18:00:00",""
"1548419","10.198","0.005","13.495","0.006","13.797","0.006","99.002","0.009","110.814","0.008","110.231","0.008","1578.6","1.3","295","2","295","2","","","","","","","synthesized","6","P -1","-P 1","2","pentakis(dmso)oxotitanium(IV) triflate","pentakis(dimethylsulfoxide)oxotitanium(IV) trifluoromethanesulfonate","","- C12 H30 F6 O12 S7 Ti -","- C12 H30 F6 O12 S7 Ti -","- C24 H60 F12 O24 S14 Ti2 -","2","1","","Daniel Lundberg; Ingmar Persson","Structure of a Hydrated Sulfonatotitanyl(IV) Complex in Aqueous Solution and the Dimethylsulfoxide Solvated Titanyl(IV) Ion in Solution and Solid State","Journal of Solution Chemistry","2017","46","","476","487","10.1007/s10953-017-0581-3","","x-ray","0.71073","MoKα","","0.0856","0.0721","","","0.2031","0.2216","","","","","","1.092","","","","has coordinates,has disorder","204155","2020-10-21","18:00:00",""
"1548424","8.7123","0.0017","8.7388","0.0017","14.342","0.003","72.586","0.004","73.955","0.004","62.928","0.004","915","0.3","","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cu N5 O5 -","- C19 H16 Cu N5 O5 -","- C38 H32 Cu2 N10 O10 -","2","1","","Isolda Roger; Claire Wilson; Hans M. Senn; Stephen Sproules; Mark D. Symes","An investigation into the unusual linkage isomerization and nitrite reduction activity of a novel tris(2-pyridyl) copper complex","Royal Society Open Science","2017","4","","170593","","10.1098/rsos.170593","","x-ray","0.71073","MoKα","","","0.055","","","0.141","","","","","","","1.13","","","","has coordinates","204160","2020-10-21","18:00:00",""
"1548425","18.1623","0.0007","9.7531","0.0004","24.6826","0.0009","90","","109.337","0.002","90","","4125.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4.53 H3.64 Cl0.18 Co0.09 N0.53 -","- C4.53333 H3.55556 Cl0.177867 Co0.0888889 N0.533333 -","- C204 H160 Cl8.004 Co4 N24 -","45","11.25","","Ganguly, Sumit; Conradie, Jeanet; Bendix, Jesper; Gagnon, Kevin J.; McCormick, Laura J.; Ghosh, Abhik","Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States.","The journal of physical chemistry. A","2017","121","50","9589","9598","10.1021/acs.jpca.7b09440","","","0.7749","synchrotron","","0.09","0.0635","","","0.1593","0.1752","","","","","","1.021","","","","has coordinates","204872","2020-10-21","18:00:00",""
"1548426","15.5987","0.0006","20.4468","0.0008","17.467","0.0007","90","","96.297","0.003","90","","5537.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H33 Br8 Cl6 Co N6 -","- C52 H33 Br8 Cl6 Co N6 -","- C208 H132 Br32 Cl24 Co4 N24 -","4","1","","Ganguly, Sumit; Conradie, Jeanet; Bendix, Jesper; Gagnon, Kevin J.; McCormick, Laura J.; Ghosh, Abhik","Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States.","The journal of physical chemistry. A","2017","121","50","9589","9598","10.1021/acs.jpca.7b09440","","","0.7749","synchrotron","","0.0761","0.0483","","","0.1076","0.1202","","","","","","1.014","","","","has coordinates,has disorder","204872","2020-10-21","18:00:00",""
"1548446","13.451","0.003","6.695","0.002","10.126","0.003","90","","116.59","0.04","90","","815.4","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mn2VO4F","","","- F Mn2 O4 V -","- F Mn2 O4 V -","- F8 Mn16 O32 V8 -","8","1","","Mori, D.; Yahia, H.B.; Shikano, M.; Imanishi, N.; Inaguma, Y.; Belharouak, I.","Low temperature synthesis, structure and magnetic properties of Mn2[VO4]F","Journal of Asian Ceramic Societies","2017","465","","5","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","204179","2020-10-21","18:00:00",""
"1548447","9.6731","0.0004","11.8776","0.0006","13.3871","0.0006","110.146","0.004","98.926","0.004","99.616","0.004","1385.6","0.12","107.2","","107.2","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H32 O8 -","- C35 H32 O8 -","- C70 H64 O16 -","2","1","","Huo, Hui-Xia; Zhu, Zhi-Xiang; Song, Yue-Lin; Shi, She-Po; Sun, Jing; Sun, Hui; Zhao, Yun-Fang; Zheng, Jiao; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Anti-inflammatory Dimeric 2-(2-Phenylethyl)chromones from the Resinous Wood of Aquilaria sinensis.","Journal of natural products","2017","","","","","10.1021/acs.jnatprod.7b00919","","","1.5418","CuKα","","0.0444","0.039","","","0.102","0.1064","","","","","","1.047","","","","has coordinates","204196","2020-10-21","18:00:00",""
"1548454","4.5412","0.0004","4.8838","0.0004","10.1982","0.001","90","","98.226","0.007","90","","223.85","0.03","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 Li O3 -","- C3 H5 Li O3 -","- C6 H10 Li2 O6 -","2","1","","Mondal, Arobendo; Gaultois, Michael W.; Pell, Andrew J.; Iannuzzi, Marcella; Grey, Clare P.; Hutter, Jürg; Kaupp, Martin","Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.","Journal of chemical theory and computation","2017","","","","","10.1021/acs.jctc.7b00991","","","1.54178","CuKα","","0.0533","0.0444","","","0.1127","0.1206","","","","","","1.09","","","","has coordinates","204264","2020-10-21","18:00:00",""
"1548469","4.7483","0.0005","4.7483","0.0005","13.665","0.001","90","","90","","120","","266.82","0.04","","","296","","","","","","","","","4","R -3 :H","-R 3","148","","","hemleyite","- Fe0.48 Mg0.52 O3 Si -","- Fe0.48 Mg0.52 O3 Si -","- Fe2.88 Mg3.12 O18 Si6 -","6","0.333333","","Luca Bindi; Ming Chen; Xiande Xie","Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite","Scientific Reports","2017","7","","42674","","10.1038/srep42674","","x-ray","0.71073","MoKα","","0.0892","0.0593","","","","","","","","","","","","","","has coordinates","204313","2020-10-21","18:00:00",""
"1548486","16.581","0.0009","16.5963","0.0016","16.8376","0.0012","85.765","0.002","68.695","0.001","66.246","0.001","3936.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H66 Br2 Cl2 N4 Ni O2 -","- C79 H66 Br2 Cl2 N4 Ni O2 -","- C158 H132 Br4 Cl4 N8 Ni2 O4 -","2","1","","Zou, Chen; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization Using Nickel 2-Iminopyridine-N-oxide Catalysts: Modulation of Polymer Molecular Weights and Molecular-Weight Distributions","Macromolecules","2017","","","","","10.1021/acs.macromol.7b02156","","","1.54178","CuKα","","0.1409","0.1009","","","0.2429","0.2703","","","","","","1.12","","","","has coordinates","204371","2020-10-21","18:00:00",""
"1548487","11.8392","0.0009","14.1257","0.0012","14.3685","0.0013","90.924","0.001","102.292","0.002","113.08","0.003","2146.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H72 Br4 N4 Ni2 O2 -","- C90 H72 Br4 N4 Ni2 O2 -","- C90 H72 Br4 N4 Ni2 O2 -","1","0.5","","Zou, Chen; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization Using Nickel 2-Iminopyridine-N-oxide Catalysts: Modulation of Polymer Molecular Weights and Molecular-Weight Distributions","Macromolecules","2017","","","","","10.1021/acs.macromol.7b02156","","","0.71073","MoKα","","0.2193","0.1567","","","0.3638","0.4024","","","","","","1.143","","","","has coordinates","204372","2020-10-21","18:00:00",""
"1548509","5.3477","0.0001","14.5931","0.0002","12.6564","0.0002","90","","93.912","0.001","90","","985.4","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","","1.54178","CuKα","","0.0288","0.0287","","","0.076","0.0762","","","","","","1.046","","","","has coordinates","204416","2020-10-21","18:00:00",""
"1548510","7.5243","0.0001","12.3365","0.0002","22.0854","0.0002","90","","90","","90","","2050.04","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","","1.54178","CuKα","","0.0307","0.0302","","","0.0806","0.0812","","","","","","1.031","","","","has coordinates","204417","2020-10-21","18:00:00",""
"1548511","8.87979","0.00013","12.7869","0.0002","17.5805","0.0003","90","","90","","90","","1996.18","0.05","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0347","0.033","","","0.0846","0.0865","","","","","","1.042","","","","has coordinates","288248","2023-12-12","12:55:13",""
"1548512","7.48087","0.00009","22.1683","0.0002","11.52385","0.00013","90","","90.1036","0.001","90","","1911.09","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0499","0.0492","","","0.1286","0.129","","","","","","1.104","","","","has coordinates","288248","2023-12-12","12:55:22",""
"1548513","9.3123","0.0002","11.7835","0.0002","11.8236","0.0002","117.449","0.002","110.752","0.002","94.972","0.002","1026.64","0.05","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C44 H60 O10 -","2","2","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0336","0.0327","","","0.0899","0.0906","","","","","","1.033","","","","has coordinates","204420","2020-10-21","18:00:00",""
"1548514","11.1617","0.0004","11.3469","0.0003","15.3512","0.0005","90","","90","","90","","1944.24","0.11","173.01","0.1","173.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0305","0.0286","","","0.0732","0.0752","","","","","","1.07","","","","has coordinates","288248","2023-12-12","12:55:24",""
"1548515","6.747","0.0001","13.2449","0.0003","18.87","0.0004","90","","90","","90","","1686.29","0.06","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Thomas, Santana A. L.; von Salm, Jacqueline L.; Clark, Shane; Ferlita, Steve; Nemani, Prasanth; Azhari, Ala; Rice, Christopher A.; Wilson, Nerida G.; Kyle, Dennis E.; Baker, Bill J.","Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00732","","","1.54178","CuKα","","0.0433","0.0352","","","0.0698","0.0731","","","","","","1.048","","","","has coordinates","204422","2020-10-21","18:00:00",""
"1548516","8.7671","0.0002","11.4162","0.0003","19.4875","0.0004","90","","90","","90","","1950.44","0.08","100","2","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Thomas, Santana A. L.; von Salm, Jacqueline L.; Clark, Shane; Ferlita, Steve; Nemani, Prasanth; Azhari, Ala; Rice, Christopher A.; Wilson, Nerida G.; Kyle, Dennis E.; Baker, Bill J.","Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00732","","","1.54178","CuKα","","0.0401","0.0344","","","0.0782","0.0812","","","","","","1.031","","","","has coordinates","204423","2020-10-21","18:00:00",""
"1548517","10.4786","0.0022","10.4786","0.0022","10.4786","0.0022","90","","90","","90","","1150.6","0.4","1123.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Lutetium(III) Oxide (2/3)","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.10616","","","","7.867","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548518","10.5278","0.0004","10.5278","0.0004","10.5278","0.0004","90","","90","","90","","1166.84","0.08","1723.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Lutetium(III) Oxide (2/3)","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02628","","","","1.898","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548519","10.5476","0.0015","10.5476","0.0015","10.5476","0.0015","90","","90","","90","","1173.4","0.3","2773.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Lutetium(III) Oxide (2/3)","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02121","","","","0.894","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548520","10.5078","0.0008","10.5078","0.0008","10.5078","0.0008","90","","90","","90","","1160.21","0.15","1123.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Ytterbium(III) Oxide (2/3)","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.0613","","","","4.771","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548521","10.5629","0.0004","10.5629","0.0004","10.5629","0.0004","90","","90","","90","","1178.55","0.08","1873.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Ytterbium(III) Oxide (2/3)","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02228","","","","1.746","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548522","10.6552","0.0008","10.6552","0.0008","10.6552","0.0008","90","","90","","90","","1209.72","0.16","2873.15","0.5","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Ytterbium(III) Oxide (2/3)","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.333333","","Pavlik, III, Alfred J.; Ushakov, Sergey V.; Navrotsky, Alexandra; Benmore, Chris J.; Weber, Richard J.K.","Structure and thermal expansion of Lu 2 O 3 and Yb 2 O 3 up to the melting points","Journal of Nuclear Materials","2017","495","","385","","10.1016/j.jnucmat.2017.08.031","powder diffraction","","","","","","","","","0.02209","","","","1.837","","","","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1548535","7.9231","0.0003","10.9643","0.0004","21.6231","0.0007","90","","95.083","0.001","90","","1871.04","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0425","0.0336","","","0.0866","0.0919","","","","","","1.015","","","","has coordinates","204487","2020-10-21","18:00:00",""
"1548536","10.3826","0.0003","10.5016","0.0003","19.1653","0.0006","90","","90","","90","","2089.67","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 O8 -","- C22 H39 O8 -","- C88 H156 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0377","0.0369","","","0.1048","0.1059","","","","","","1.008","","","","has coordinates","204488","2020-10-21","18:00:00",""
"1548537","9.8181","0.0001","16.3996","0.0002","13.9736","0.0002","90","","107.009","0.001","90","","2151.52","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O6 -","- C23 H34 O6 -","- C92 H136 O24 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","x-ray","1.54184","CuKα","","0.0379","0.0371","","","0.0986","0.0998","","","","","","1.039","","","","has coordinates","204489","2020-10-21","18:00:00",""
"1548538","8.7254","0.0002","13.1452","0.0003","20.1229","0.0005","90","","98.593","0.001","90","","2282.13","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O8 -","- C24 H36 O8 -","- C96 H144 O32 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0345","0.034","","","0.0935","0.0939","","","","","","1.055","","","","has coordinates","204490","2020-10-21","18:00:00",""
"1548539","6.2989","0.0002","27.0429","0.0006","11.3517","0.0003","90","","104.096","0.001","90","","1875.43","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H31 O5.5 -","- C20 H31 O5.5 -","- C80 H124 O22 -","4","2","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0341","0.0325","","","0.0825","0.0836","","","","","","1.047","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548540","9.5407","0.0004","11.7224","0.0005","19.9776","0.0009","90","","90","","90","","2234.29","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0436","0.0418","","","0.1128","0.1165","","","","","","1.101","","","","has coordinates","204492","2020-10-21","18:00:00",""
"1548541","12.5466","0.0006","6.2439","0.0003","13.9222","0.0006","90","","101.124","0.002","90","","1070.17","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O8 -","- C22 H34 O8 -","- C44 H68 O16 -","2","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0322","0.0316","","","0.0923","0.0931","","","","","","1.086","","","","has coordinates","204493","2020-10-21","18:00:00",""
"1548542","8.6611","0.0009","13.5236","0.0013","18.6939","0.0012","90","","90","","90","","2189.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0441","0.0424","","","0.1113","0.1127","","","","","","1.058","","","","has coordinates","204494","2020-10-21","18:00:00",""
"1548548","10.6433","0.0002","13.6676","0.0003","14.8419","0.0003","90","","90","","90","","2159.03","0.08","99.9","0.3","99.9","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Yu, Xiaoqin; Zhang, Qingqing; Tian, Li; Guo, Zhiyong; Liu, Chengxiong; Chen, Jianfeng; Ebrahim, Weaam; Liu, Zhen; Proksch, Peter; Zou, Kun","Germacrane-Type Sesquiterpenoids with Antiproliferative Activities from Eupatorium chinense","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00693","","x-ray","1.54184","CuKα","","0.0309","0.0299","","","0.0768","0.0777","","","","","","1.066","","","","has coordinates","204547","2020-10-21","18:00:00",""
"1548549","9.25655","0.00009","8.73919","0.00009","5.31939","0.00005","90","","90","","90","","430.311","0.007","","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","MgSiO3 protoenstatite","","protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273026","2022-02-18","04:26:29",""
"1548550","9.2732","","8.7266","","5.3217","","90","","90","","90","","430.651","","","","0","","","","","","","","","3","P b c n","-P 2n 2ab","60","dft optimized protoenstatite","","protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K)","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273027","2022-02-18","04:28:18",""
"1548551","9.61327","0.00013","8.82246","0.00008","5.17455","0.00006","90","","108.331","0.001","90","","416.597","0.009","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MgSiO3 low-clinoenstatite","","low-clinoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Kanzaki, M.; Xue, X.","Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction","Journal of Mineralogical and Petrological Sciences","2017","112","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","273028","2022-02-18","04:29:43",""
"1548606","9.1078","0.0009","9.1877","0.0009","11.146","0.0011","81.945","0.003","68.341","0.003","81.982","0.003","854.38","0.15","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","","0.71073","MoKα","","0.0806","0.0502","","","0.132","0.1508","","","","","","0.985","","","","has coordinates","204774","2020-10-21","18:00:00",""
"1548607","7.584","0.003","23.96","0.015","13.042","0.006","90","","95.24","0.04","90","","2360","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O7 S -","- C24 H26 O7 S -","- C96 H104 O28 S4 -","4","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","","0.71073","MoKα","","0.3866","0.1085","","","0.2135","0.3471","","","","","","0.948","","","","has coordinates","204775","2020-10-21","18:00:00",""
"1548608","7.7157","0.0008","11.4525","0.001","13.9009","0.0016","97.178","0.009","95.839","0.009","100.355","0.008","1189.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F O7 S -","- C24 H25 F O7 S -","- C48 H50 F2 O14 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","x-ray","0.71073","MoKα","","0.1045","0.0702","","","0.1904","0.222","","","","","","1.214","","","","has coordinates","204776","2020-10-21","18:00:00",""
"1548609","8.68","0.002","10.624","0.0015","12.798","0.002","79.965","0.014","74.188","0.018","89.59","0.015","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl O5 S -","- C24 H21 Cl O5 S -","- C48 H42 Cl2 O10 S2 -","2","1","","Jia, Jiru; Yu, Aimin; Ma, Shanshan; Zhang, Youquan; Li, Ke; Meng, Xiangtai","Solvent-Controlled Switchable Domino Reactions of MBH Carbonate: Synthesis of Benzothiophene Fused α-Pyran, 2,3-Dihydrooxepine, and Oxatricyclodecene Derivatives.","Organic letters","2017","19","22","6084","6087","10.1021/acs.orglett.7b02916","","x-ray","0.71073","MoKα","","0.171","0.074","","","0.1708","0.2464","","","","","","1.061","","","","has coordinates","204777","2020-10-21","18:00:00",""
"1548610","9.5414","0.0008","17.3999","0.0011","9.7984","0.0008","90","","116.714","0.011","90","","1453.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O S2 -","- C17 H14 O S2 -","- C68 H56 O4 S8 -","4","1","","Wang, Quannan; Yang, Xiaoge; Wu, Ping; Yu, Zhengkun","Photoredox-Catalyzed C-H Arylation of Internal Alkenes to Tetrasubstituted Alkenes: Synthesis of Tamoxifen.","Organic letters","2017","19","22","6248","6251","10.1021/acs.orglett.7b03223","","","0.71073","MoKα","","0.0538","0.0397","","","0.0909","0.0996","","","","","","1.065","","","","has coordinates","204778","2020-10-21","18:00:00",""
"1548611","4.0165","0.0007","23.916","0.003","17.104","0.002","90","","94.419","0.013","90","","1638.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O3 S2 -","- C17 H13 N3 O3 S2 -","- C68 H52 N12 O12 S8 -","4","1","","Wang, Quannan; Yang, Xiaoge; Wu, Ping; Yu, Zhengkun","Photoredox-Catalyzed C-H Arylation of Internal Alkenes to Tetrasubstituted Alkenes: Synthesis of Tamoxifen.","Organic letters","2017","19","22","6248","6251","10.1021/acs.orglett.7b03223","","","0.71073","MoKα","","0.0862","0.0663","","","0.1636","0.1751","","","","","","1.124","","","","has coordinates","204778","2020-10-21","18:00:00",""
"1548612","6.2066","0.0005","16.3879","0.0014","16.6057","0.0016","90","","90","","90","","1689","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yuan, Shiru; Luo, Yuchen; Peng, Jingyi; Miao, Maozhong; Xu, Jianfeng; Ren, Hongjun","Oxidative Asymmetric [2 + 3] Annulation of Aldehydes with Azomethine Imines Enabled by N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","22","6100","6103","10.1021/acs.orglett.7b02948","","","0.71073","MoKα","","0.0705","0.042","","","0.0777","0.0907","","","","","","1.055","","","","has coordinates","204779","2020-10-21","18:00:00",""
"1548620","20.271","0.018","20.104","0.0016","13.641","0.005","90","","90","","90","","5559","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2345","0.1611","","","0.406","0.452","","","","","","1.154","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548621","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3398","0.2618","","","0.5387","0.5754","","","","","","1.472","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548622","20.508","0.0018","20.144","0.01","13.465","0.004","90","","90","","90","","5563","3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3556","0.1966","","","0.4429","0.52","","","","","","1.204","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548623","20.03","0.04","20.08","0.02","13.775","0.013","90","","90","","90","","5540","13","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2932","0.2072","","","0.4694","0.5124","","","","","","1.456","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548624","20.33","0.02","20.12","0.06","13.636","0.008","90","","90","","90","","5578","18","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2342","0.156","","","0.4227","0.4601","","","","","","1.442","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548625","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3666","0.1998","","","0.4455","0.526","","","","","","1.201","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548626","20.197","0.004","20.072","0.004","13.49","0.003","90","","90","","90","","5469","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2408","0.173","","","0.4626","0.4945","","","","","","1.577","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548627","20.586","0.004","20.008","0.004","13.467","0.003","90","","90","","90","","5547","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2537","0.2009","","","0.4854","0.5187","","","","","","1.677","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548628","20.393","0.004","20.198","0.004","13.469","0.003","90","","90","","90","","5548","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3128","0.1729","","","0.4239","0.4966","","","","","","1.234","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548629","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.278","0.2038","","","0.4286","0.4731","","","","","","1.325","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548630","20.51","0.004","20.14","0.004","13.47","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3031","0.1998","","","0.4503","0.5062","","","","","","1.324","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548631","20.43","0.004","20.1","0.004","13.55","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2388","0.1835","","","0.4364","0.4764","","","","","","1.406","","","","has coordinates","205069","2020-10-21","18:00:00",""
"1548658","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2665","0.2086","","","0.4575","0.4959","","","","","","1.329","","","","has coordinates","205068","2020-10-21","18:00:00",""
"1548777","8.638","0.001","8.638","0.001","9.262","0.001","90","","90","","120","","598.5","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","","","","- Al11.74 Co4.26 Dy3 -","- Al11.74 Co4.26 Dy3 -","- Al23.48 Co8.52 Dy6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.032","0.0221","","","0.0499","0.0533","","","","","","1.129","","","","has coordinates","205631","2020-10-21","18:00:00",""
"1548778","8.63","0.001","8.63","0.001","9.244","0.001","90","","90","","120","","596.23","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","Er3Co4Al12","","","- Al11.8 Co4.2 Er3 -","- Al11.797 Co4.203 Er3 -","- Al23.594 Co8.406 Er6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0328","0.0222","","","0.0445","0.0459","","","","","","1.121","","","","has coordinates","205632","2020-10-21","18:00:00",""
"1548779","8.638","0.001","8.638","0.001","9.262","0.001","90","","90","","120","","598.5","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","Ho3Co4Al12","","","- Al11.89 Co4.11 Ho3 -","- Al11.89 Co4.11 Ho3 -","- Al23.78 Co8.22 Ho6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0608","0.0394","","","0.0904","0.0962","","","","","","1.164","","","","has coordinates","205633","2020-10-21","18:00:00",""
"1548780","8.661","0.001","8.661","0.001","9.282","0.001","90","","90","","120","","602.99","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 63/m m c","-P 6c 2c","194","","","","- Al11.86 Co4.14 Tb3 -","- Al11.862 Co4.138 Tb3 -","- Al23.724 Co8.276 Tb6 -","2","0.0833333","","Mathieu Pasturel; Nabil Nasri; Besma Belgacem; Thierry Guizouarn; Olivier Tougait; Rached BEN HASSEN; Henri Noel","Magnetic and magnetocaloric properties of the new R3Co4+xAl12-x (R : Tb to Er) with the Gd3Ru4Al12 structure-type","Mendeley","2017","1","","1","2","10.17632/pjk3gshszy.2","","x-ray","0.71073","MoKα","","0.0477","0.0264","","","0.0522","0.0561","","","","","","1.118","","","","has coordinates","205634","2020-10-21","18:00:00",""
"1548781","5.57374","0.00006","14.11358","0.00016","5.63458","0.00007","90","","90","","90","","443.247","0.009","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- F2 N Na0.985 O3 Pb1.015 -","- F2 N Na0.985 O3 Pb1.015 -","- F8 N4 Na3.94 O12 Pb4.06 -","4","0.25","","Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov","One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures","Solid State Sciences","2017","71","","111","116","10.1016/j.solidstatesciences.2017.07.010","powder diffraction","x-ray","1.5418","","","0.0115","0.0115","","0.0159","0.0159","","","","2.16","","","","","","","has coordinates","205635","2020-10-21","18:00:00",""
"1548782","5.78377","0.00007","14.63528","0.00014","5.81352","0.00006","90","","90","","90","","492.098","0.009","293","","293","","","","","","","","","4","A m a a","-A 2a 2","66","","","","- F N O4 Pb2 -","- F N O4 Pb2 -","- F4 N4 O16 Pb8 -","4","0.25","","Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov","One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures","Solid State Sciences","2017","71","","111","116","10.1016/j.solidstatesciences.2017.07.010","powder diffraction","x-ray","1.5418","","","0.0246","0.0246","","0.0378","0.0378","","","","1.95","","","","","","","has coordinates","205636","2020-10-21","18:00:00",""
"1548783","4.04064","0.00003","4.04064","0.00003","14.39848","0.00017","90","","90","","90","","235.081","0.004","293","","293","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- F4 N2 Na O6 Pb3 -","- F4 N2 Na O6 Pb3 -","- F4 N2 Na O6 Pb3 -","1","0.03125","","Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov","One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures","Solid State Sciences","2017","71","","111","116","10.1016/j.solidstatesciences.2017.07.010","powder diffraction","x-ray","1.54051","","","0.023","0.0227","","0.0234","0.0234","","","","1.12","","","","","","","has coordinates","205637","2020-10-21","18:00:00",""
"1548785","6.717","0.002","8.155","0.003","19.936","0.006","85.032","0.003","85.188","0.003","65.893","0.003","991.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","","- C21 H17 F6 N2 O P -","- C21 H17 F6 N2 O P -","- C42 H34 F12 N4 O2 P2 -","2","1","","Xu, Hong-Kang; Kong, Lin; Li, Fei","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate","IUCrData","2017","2","12","x171735","","10.1107/S2414314617017357","","","0.71073","MoKα","","0.0856","0.0802","","","0.2401","0.2463","","","","","","1.078","","","","has coordinates,has Fobs","205730","2020-10-21","18:00:00",""
"1548786","12.3775","0.0009","12.3775","0.0009","12.3775","0.0009","90","","90","","90","","1896.3","0.2","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Poly[bis[(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]","","- C12 H20 Cd Cu2 N8 -","- C12 H20 Cd Cu2 N8 -","- C48 H80 Cd4 Cu8 N32 -","4","0.166667","IS4021","Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka","Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]]","IUCrData","2017","2","12","x171771","","10.1107/S2414314617017710","","","0.71073","MoKα","","0.0206","0.017","","","0.0426","0.0443","","","","","","1.107","","","","has coordinates,has Fobs","205731","2020-10-21","18:00:00",""
"1548787","22.656","0.002","12.2607","0.0012","10.2189","0.001","90","","100.363","0.004","90","","2792.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","RZ4020","Kaoukabi, Hanane; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","IUCrData","2017","2","12","x171802","","10.1107/S2414314617018028","","","0.71073","MoKα","","0.0715","0.0459","","","0.1156","0.1333","","","","","","1.024","","","","has coordinates,has Fobs","205732","2020-10-21","18:00:00",""
"1548788","6.922","0.003","8.498","0.003","14.064","0.005","78.3","0.03","85.51","0.03","69.1","0.03","756.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C30 H32 Br2 N2 O8 -","2","1","","Atalay, Şehriman; Aygün, Seda Nur; Meral, Seher; Ağar, Erbil","(<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate","IUCrData","2017","2","12","x171730","","10.1107/S2414314617017308","","","0.71073","MoKα","","0.0795","0.0512","","","0.1185","0.1307","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","205733","2020-10-21","18:00:00",""
"1548789","10.5214","0.0004","13.2896","0.0006","13.368","0.0006","107.331","0.003","109.298","0.002","99.272","0.003","1612.66","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","","- C18 H15 N3 O2 S -","- C18 H15 N3 O2 S -","- C72 H60 N12 O8 S4 -","4","2","TK4041","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Al-Taifi, Elham A.","5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","IUCrData","2017","2","12","x171700","","10.1107/S241431461701700X","","","1.54178","CuKα","","0.0939","0.0657","","","0.1362","0.1532","","","","","","1.063","","","","has coordinates,has Fobs","205734","2020-10-21","18:00:00",""
"1548790","11.517","0.0006","8.7431","0.0004","22.2595","0.0013","90","","90","","90","","2241.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C104 H72 N8 O32 -","8","1","HB4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","IUCrData","2017","2","12","x171820","","10.1107/S241431461701820X","","","0.71073","MoKα","","0.0905","0.0508","","","0.106","0.1279","","","","","","1.044","","","","has coordinates,has Fobs","205735","2020-10-21","18:00:00",""
"1548791","13.4521","0.0015","7.181","0.0007","34.204","0.003","90","","90","","90","","3304.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","","","- C19 H14 Br F N2 O -","- C19 H14 Br F N2 O -","- C152 H112 Br8 F8 N16 O8 -","8","1","HB4185","Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","IUCrData","2017","2","12","x171708","","10.1107/S2414314617017084","","","0.71073","MoKα","","0.1458","0.0548","","","0.0824","0.1104","","","","","","0.97","","","","has coordinates,has Fobs","205736","2020-10-21","18:00:00",""
"1548792","9.0951","0.0005","13.9582","0.0007","14.1083","0.0007","61.646","0.001","80.859","0.001","83.665","0.001","1554.92","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","VM4030","Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef","5,5-Diphenyl-3-propylimidazolidine-2,4-dione","IUCrData","2017","2","12","x171808","","10.1107/S2414314617018089","","","0.71073","MoKα","","0.0608","0.0497","","","0.1411","0.1485","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","205737","2020-10-21","18:00:00",""
"1548793","4.5971","0.0004","6.4372","0.0007","25.237","0.002","86.984","0.008","86.173","0.007","78.096","0.008","728.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2-{(E)-[(3-chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","","- C15 H11 Cl F3 N O2 -","- C15 H11 Cl F3 N O2 -","- C30 H22 Cl2 F6 N2 O4 -","2","1","","Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Bülbül, Hakan","2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","IUCrData","2017","2","12","x171725","","10.1107/S2414314617017254","","","0.71073","MoKα","","0.1316","0.0605","","","0.1534","0.1811","","","","","","0.886","","","","has coordinates,has disorder,has Fobs","205738","2020-10-21","18:00:00",""
"1548794","4.8078","0.0003","7.7314","0.0004","17.8011","0.001","93.412","0.001","94.564","0.001","103.05","0.001","640.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","SJ4148","Missioui, Mohcine; Mague, Joel T.; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Ramli, Youssef","Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate","IUCrData","2017","2","12","x171763","","10.1107/S2414314617017631","","","0.71073","MoKα","","0.0403","0.0361","","","0.1037","0.1057","","","","","","1.13","","","","has coordinates,has Fobs","205739","2020-10-21","18:00:00",""
"1548795","19.817","0.002","8.4268","0.0009","12.4459","0.0014","90","","101.22","0.001","90","","2038.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","","- C23 H17 F3 N2 O3 -","- C23 H17 F3 N2 O3 -","- C92 H68 F12 N8 O12 -","4","1","HB4169","Xia, Ying; Wang, Haiyan; Yu, Jianhua; Wu, Zhichao","(<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate","IUCrData","2017","2","12","x171733","","10.1107/S2414314617017333","","","0.71073","MoKα","","0.0633","0.0495","","","0.1487","0.1614","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","205740","2020-10-21","18:00:00",""
"1548796","4.8809","0.0002","8.5668","0.0004","4.3433","0.0002","90","","90","","90","","181.609","0.014","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","1","HB4189","Weil, Matthias","Redetermination of the γ-form of tellurium dioxide","IUCrData","2017","2","12","","","10.1107/S2414314617017576","","","0.71073","MoKα","","0.0326","0.0252","","","0.0358","0.0369","","","","","","1.022","","","","has coordinates,has Fobs","205741","2020-10-21","18:00:00",""
"1548797","6.7395","0.0002","11.3491","0.0003","16.1078","0.0005","75.681","0.002","88.031","0.002","86.856","0.002","1191.69","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis-(4-Methylanilinium trichloroacetate)","","- C9 H10 Cl3 N O2 -","- C9 H10 Cl3 N O2 -","- C36 H40 Cl12 N4 O8 -","4","2","HB4190","Suresh, S.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium trichloroacetate","IUCrData","2017","2","12","x171767","","10.1107/S2414314617017679","","","1.54178","CuKα","","0.0675","0.0513","","","0.1181","0.1284","","","","","","1.019","","","","has coordinates,has Fobs","205742","2020-10-21","18:00:00",""
"1548798","23.767","0.003","5.1425","0.0003","39.806","0.01","90","","102.61","0.02","90","","4747.8","1.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","","- C22 H29 Br N4 Se2 -","- C22 H29 Br N4 Se2 -","- C176 H232 Br8 N32 Se16 -","8","1","","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","IUCrData","2017","2","12","x171746","","10.1107/S2414314617017461","","","0.71073","MoKα","","0.1324","0.0619","","","0.1199","0.1461","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","205743","2020-10-21","18:00:00",""
"1548799","5.7747","0.0004","6.5171","0.0005","30.234","0.002","90","","95.342","0.007","90","","1132.89","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","IUCrData","2017","2","12","x171782","","10.1107/S2414314617017825","","","0.71073","MoKα","","0.0876","0.0598","","","0.1337","0.1523","","","","","","1.067","","","","has coordinates,has Fobs","205744","2020-10-21","18:00:00",""
"1548800","6.6115","0.0004","15.2036","0.0009","15.3021","0.0008","63.536","0.002","83.76","0.002","85.214","0.002","1367.75","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","","- C32 H28 N8 O -","- C32 H28 N8 O -","- C64 H56 N16 O2 -","2","1","","Abu El-Enin, Mohammed Abu Bakr; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.; El-Hiti, Gamal A.","(<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one","IUCrData","2017","2","12","x171729","","10.1107/S2414314617017291","","","0.71073","MoKα","","0.0909","0.0582","","","0.1365","0.1543","","","","","","1.027","","","","has coordinates,has Fobs","205747","2020-10-21","18:00:00",""
"1548801","6.0506","0.0008","13.7423","0.0018","20.886","0.003","90","","90","","90","","1736.7","0.4","150.15","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Naphthalene-1-carbaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C88 H72 N8 O8 -","8","2","HB4179","Green, Alexander R.; Owczarzak, Kendall K.; Thomas, Mallory; Olrogg, Garrett M.; Whitver, Ethan; Crescente, Joseph V.; Peters, Joshua; Doud, Cheyann M.; Storm, Mitchell M.; Fink, Kathryn D.; Bilotti, Caroline; Cardenas, Allan Jay","Naphthalene-1-carbaldehyde oxime","IUCrData","2017","2","12","x171720","","10.1107/S2414314617017205","","","0.71073","MoKα","","0.1295","0.0687","","","0.1197","0.1389","","","","","","1.0362","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1548802","4.7936","0.0007","12.9828","0.0019","14.632","0.002","90","","92.986","0.002","90","","909.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methyl-2-nitrophenoxy)butane","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","FF4019","Zhang, Huihui; Wang, Haiyan; Yu, Jianhua","1,4-Bis(4-methyl-2-nitrophenoxy)butane","IUCrData","2017","2","12","x171734","","10.1107/S2414314617017345","","","0.71073","MoKα","","0.0495","0.0427","","","0.1193","0.1236","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","205749","2020-10-21","18:00:00",""
"1548803","20.3655","0.0016","7.6148","0.0007","18.2999","0.0016","90","","99.254","0.003","90","","2801","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","HB4183","Jebapriya, J. Christina; Reuben Jonathan, D.; Prasana, Johanan Christian; Usha, G.","(2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone","IUCrData","2017","2","12","x171706","","10.1107/S2414314617017060","","","0.71073","MoKα","","0.1133","0.073","","","0.1714","0.2176","","","","","","1.07","","","","has coordinates,has Fobs","205750","2020-10-21","18:00:00",""
"1548804","32.3691","0.0016","10.7492","0.0002","13.1332","0.0007","90","","125.578","0.007","90","","3716.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","","- C40 H28 N3 O10 P3 -","- C40 H28 N3 O10 P3 -","- C160 H112 N12 O40 P12 -","4","0.5","HB4178","Hou, Guohui; Zhang, Yumeng; Zhu, Jing; Xiong, Anxian; Wei, Hongliang; Chu, Huijuan","4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde","IUCrData","2017","2","12","x171712","","10.1107/S2414314617017126","","","1.54184","CuKα","","0.0515","0.047","","","0.1372","0.1434","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","205751","2020-10-21","18:00:00",""
"1548859","6.6615","0.0001","6.6615","0.0001","5.8023","0.0002","90","","90","","120","","222.985","0.009","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","centennialite","- Ca Cl2 Cu3 H7.58 O6.79 -","- Ca Cl2 Cu3 H6 O7 -","- Ca Cl2 Cu3 H6 O7 -","1","0.0833333","","Crichton, Wilson A.; Müller, Harald","Centennialite, CaCu3(OH)6Cl2.nH2O, n ≈ 0.7, a new kapellasite-like species, and a reassessment of calumetite","Mineralogical Magazine","2017","81","5","1105","","10.1180/minmag.2016.080.157","","","","","","","","","","","","","","","","","","","","","has coordinates","206105","2020-10-21","18:00:00",""
"1549272","6.3844","0.0004","7.2278","0.0004","9.2965","0.0005","67.26","0.004","72.927","0.004","85.848","0.003","377.8","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C H7.89 N O7.45 P V -","- C H7.89 N O7.445 P V -","- C2 H15.78 N2 O14.89 P2 V2 -","2","1","","C. Kouvatas; V. Alonzo; T. Bataille; L. Le Polles; C. Roiland; G. Louarn; E. Le Fur","Synthesis, crystal structure of the ammonium vanadyl oxalatophosphite and its controlled conversion into catalytic vanadyl phosphates","Journal of Solid State Chemistry","2017","253","","73","77","10.1016/j.jssc.2017.05.026","","","0.71069","MoKα","","0.058","0.0444","","","0.1064","0.1114","","","","","","1.082","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1549551","16.233","0.002","6.24","0.001","14.955","0.002","90","","122.45","0.01","90","","1278.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cu2 O14 P2 -","- C4 H14 Cu2 O14 P2 -","- C16 H56 Cu8 O56 P8 -","4","0.5","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates","Zeitschrift für anorganische und allgemeine Chemie","2017","643","3","276","","10.1002/zaac.201600457","","","0.71073","MoKα","","0.0377","0.0294","","0.0763","0.0742","","","","1.412","1.473","1.473","","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1549552","6.082","0.001","8.001","0.001","10.836","0.001","94.98","0.01","105.71","0.01","109.84","0.01","468.08","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H12 Cu1.5 O10 P -","- C2 H12 Cu1.5 O10 P -","- C4 H24 Cu3 O20 P2 -","2","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates","Zeitschrift für anorganische und allgemeine Chemie","2017","643","3","276","","10.1002/zaac.201600457","","","0.71073","MoKα","","0.0451","0.0291","","0.0565","0.0527","","","","1.143","1.199","1.199","","","","","has coordinates","208343","2020-10-21","18:00:00",""
"1550125","5.434","0.001","5.434","0.001","10.845","0.0003","90","","90","","90","","320.24","0.08","300","","300","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2 S4 Sn Zn -","- Cu2 S4 Sn Zn -","- Cu4 S8 Sn2 Zn2 -","2","0.125","","Munoz, M; Vera, E; Pineda, T; Guaspud, J","Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies","Journal of Physics: Conference Series","2017","786","","1","7","10.1088/1742-6596/786/1/012028","","","1.78901","","","0.0294","0.0294","","0.0741","0.0741","","","","1.6","","","","","","","has coordinates","211665","2020-10-21","18:00:00",""
"1551077","9.6091","0.0002","12.4324","0.0002","2.8498","0.0001","90","","90","","90","","340.449","0.015","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","Mg2Cr2O5","","Mg2Cr2O5 modified ludwigite","- Cr2 Mg2 O5 -","- Cr1.995 Mg2.005 O5 -","- Cr7.98 Mg8.02 O20 -","4","0.5","","Ishii, T.; Tsujino, N.; Arii, H.; Fujino, K.; Miyajima, N.; Kojitani, H.; Kunimoto, T.; Akaogi, M.","A shallow origin of so-called ultrahigh-pressure chromitites, based on single-crystal X-ray structure analysis of the high-pressure Mg2Cr2O5 phase, with modified ludwigite-type structure","American Mineralogist","2017","102","","2113","2118","","","","","","","","","","","","","","","","","","","","","","has coordinates","215348","2020-10-21","18:00:00",""
"1551161","15.3069","0.0005","26.9467","0.0008","31.284","0.001","90","","90","","90","","12903.7","0.7","100","","100","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C18 H18 In N3 O8 -","- C18 H18 In N3 O8 -","- C288 H288 In16 N48 O128 -","16","","","Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee","Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity","Nature Chemistry","2017","9","","882","889","10.1038/nchem.2747","","","0.71073","MoKα","","0.061","0.0523","","","0.1834","0.1961","","","","","","1.204","","","","has coordinates,has disorder","215550","2020-10-21","18:00:00",""
"1551370","22.586","0.005","12.292","0.003","29.421","0.006","90","","92.34","0.03","90","","8161","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 K6 Mn Na3 O76 W17 -","- F6 K6 Mn Na3 O76 W17 -","- F24 K24 Mn4 Na12 O304 W68 -","4","0.5","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0859","0.0499","","","0.1118","0.1288","","","","","","1.02","","","","has coordinates","215888","2020-10-21","18:00:00",""
"1551371","17.983","0.004","18.413","0.004","22.333","0.005","90","","90","","90","","7395","3","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- Cs11 F12 K5 Mn2 Na2 O128 W34 -","- Cs11 F12 K5 Mn1.9992 Na2 O128 W34.0008 -","- Cs22 F24 K10 Mn3.9984 Na4 O255.999 W68.0016 -","2","0.125","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0951","0.0787","","","0.1908","0.2001","","","","","","1.178","","","","has coordinates,has disorder","215889","2020-10-21","18:00:00",""
"1551392","48.517","0.005","48.517","0.005","64.134","0.007","90","","90","","120","","130740","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27 -","- C586.5 H489.75 B126 Co12 N101.25 -","- C3519 H2938.5 B756 Co72 N607.5 -","6","0.333333","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1767","0.1491","","","0.3782","0.3995","","","","","","1.208","","","","has coordinates,has disorder","215921","2020-10-21","18:00:00",""
"1551393","26.438","0.013","30.374","0.016","31.047","0.01","67.3","0.04","84.86","0.04","78.93","0.07","22569","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C764 H707 B264 Co12 N115 O -","- C744 H693.244 B276 Co12 N117 O -","- C744 H693.244 B276 Co12 N117 O -","1","0.5","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1467","0.1303","","","0.3477","0.3628","","","","","","0.988","","","","has coordinates,has disorder","215922","2020-10-21","18:00:00",""
"1551394","40.2042","0.0009","54.2465","0.0018","40.2935","0.0009","90","","90.408","0.002","90","","87875","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C618 H355.5 B5.5 Co12 F133 N117 O74 S37 -","- C581 H355.5 B5.5 Co12 F22 N98.5 -","- C2324 H1422 B22 Co48 F88 N394 -","4","1","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1676","0.1492","","","0.3951","0.4133","","","","","","1.289","","","","has coordinates,has disorder","215923","2020-10-21","18:00:00",""
"1551423","17.2768","0.0002","17.2768","0.0002","20.4482","0.0003","90","","90","","90","","6103.54","0.13","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C160 H208 Ag24 F24 N16 O33.6 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0448","0.0444","","","0.1177","0.1179","","","","","","1.21","","","","has coordinates,has disorder","215961","2020-10-21","18:00:00",""
"1551424","17.2793","0.0003","17.2793","0.0003","19.8246","0.0006","90","","90","","90","","5919.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C88 H128 Ag12 F12 N8 O12 S8 -","- C88 H128 Ag12 F12 N8 O12 S8 -","- C176 H256 Ag24 F24 N16 O24 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0419","0.0403","","","0.1038","0.1052","","","","","","1.036","","","","has coordinates,has disorder","215962","2020-10-21","18:00:00",""
"1551425","17.1887","0.0003","17.1887","0.0003","20.4219","0.0019","90","","90","","90","","6033.7","0.6","100","0.05","100","0.05","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C168 H216 Ag24 Cl24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0827","0.0526","","","0.1107","0.1251","","","","","","1.066","","","","has coordinates,has disorder","215963","2020-10-21","18:00:00",""
"1551426","17.3814","0.0001","17.3814","0.0001","20.0977","0.0003","90","","90","","90","","6071.78","0.1","210","0.1","210","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C164.8 H215.2 Ag24 F24 N18.4 O12 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0398","0.0338","","","0.0927","0.0966","","","","","","1.072","","","","has coordinates,has disorder","215964","2020-10-21","18:00:00",""
"1551427","17.27","0.002","17.27","0.002","20.04","0.004","90","","90","","90","","5977","1.5","180","0.1","180","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C83 H110 Ag12 F12 N8 O9 S8 -","- C83 H108 Ag12 F12 N8 O9 S8 -","- C166 H216 Ag24 F24 N16 O18 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0599","0.0512","","","0.1183","0.1218","","","","","","1.195","","","","has coordinates,has disorder","215965","2020-10-21","18:00:00",""
"1551428","17.2498","0.0003","17.2498","0.0003","21.101","0.0016","90","","90","","90","","6278.7","0.5","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C98 H140 Ag12 F12 N8 O8 S8 -","- C98 H140 Ag12 F12 N8 O8 S8 -","- C196 H280 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0723","0.0514","","","0.1061","0.1149","","","","","","1.044","","","","has coordinates,has disorder","215966","2020-10-21","18:00:00",""
"1551429","15.4518","0.0004","15.8621","0.0004","17.9312","0.0004","91.3274","0.0019","95.0852","0.0019","94.9884","0.0019","4358.91","0.19","279.99","0.1","279.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H75 Ag12 F18 N7 O12 S6 -","- C50 H75 Ag12 F17.9997 N7 O12 S6 -","- C100 H150 Ag24 F35.9994 N14 O24 S12 -","2","1","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0447","0.033","","","0.0859","0.0925","","","","","","1.035","","","","has coordinates,has disorder","215967","2020-10-21","18:00:00",""
"1551430","17.34149","0.00013","17.34149","0.00013","20.1671","0.0004","90","","90","","90","","6064.8","0.14","290","0.1","290","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0812","0.0831","","","","","","1.062","","","","has coordinates,has disorder","215968","2020-10-21","18:00:00",""
"1551431","17.29649","0.00013","17.29649","0.00013","19.8753","0.0003","90","","90","","90","","5946.07","0.11","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0653","0.065","","","0.1584","0.1589","","","","","","1.228","","","","has coordinates,has disorder","215969","2020-10-21","18:00:00",""
"1551432","17.33048","0.00014","17.33048","0.00014","20.251","0.0004","90","","90","","90","","6082.3","0.14","289.96","0.15","289.96","0.15","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0335","0.0316","","","0.0846","0.0861","","","","","","1.071","","","","has coordinates,has disorder","215970","2020-10-21","18:00:00",""
"1551433","17.1785","0.0002","17.1785","0.0002","20.8487","0.0005","90","","90","","90","","6152.47","0.18","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H136 Ag12 F12 N8 O16 S8 -","- C96 H136 Ag12 F12 N8 O16 S8 -","- C192 H272 Ag24 F24 N16 O32 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.036","0.0359","","","0.0925","0.0925","","","","","","1.251","","","","has coordinates,has disorder","215971","2020-10-21","18:00:00",""
"1551434","17.298","0.0001","17.298","0.0001","20.5393","0.0004","90","","90","","90","","6145.79","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H128 Ag12 F12 N8 O8 S8 -","- C104 H128 Ag12 F12 N8 O8 S8 -","- C208 H256 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0359","0.0282","","","0.0576","0.06","","","","","","1.051","","","","has coordinates,has disorder","215972","2020-10-21","18:00:00",""
"1551435","17.26652","0.00013","17.26652","0.00013","20.5352","0.0003","90","","90","","90","","6122.21","0.11","100.2","0.6","100.2","0.6","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C94 H120 Ag12 F12 N8 O8 S8 -","- C93 H119 Ag12 F12 N8 O8 S8 -","- C186 H238 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0477","0.0387","","","0.0842","0.0874","","","","","","1.108","","","","has coordinates,has disorder","215973","2020-10-21","18:00:00",""
"1551436","17.3073","0.0006","17.3073","0.0006","20.4745","0.0009","90","","90","","90","","6133","0.4","100.1","","100.1","","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H124 Ag12 F16 N8 O8 S8 -","- C104 H124 Ag12 F16 N8 O8 S8 -","- C208 H248 Ag24 F32 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0214","0.0206","","","0.0559","0.0566","","","","","","1.077","","","","has coordinates,has disorder","215974","2020-10-21","18:00:00",""
"1551437","17.23734","0.00016","17.23734","0.00016","20.5923","0.0004","90","","90","","90","","6118.51","0.14","99.6","0.2","99.6","0.2","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Cl2 F12 N8 O8 S8 -","- C90 H113 Ag12 Cl F12 N8 O8 S8 -","- C180 H226 Ag24 Cl2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0355","0.0334","","","0.0867","0.088","","","","","","1.097","","","","has coordinates,has disorder","215975","2020-10-21","18:00:00",""
"1551438","17.2292","0.0003","17.2292","0.0003","20.5453","0.0009","90","","90","","90","","6098.8","0.3","100.15","0.1","100.15","0.1","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Br2 F12 N8 O8 S8 -","- C90 H113 Ag12 Br F12 N8 O8 S8 -","- C180 H226 Ag24 Br2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.059","0.0433","","","0.0939","0.1008","","","","","","1.05","","","","has coordinates,has disorder","215976","2020-10-21","18:00:00",""
"1551439","17.2105","0.0002","17.2105","0.0002","20.6982","0.0008","90","","90","","90","","6130.8","0.3","100","","100","","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 F12 I2 N8 O8 S8 -","- C90 H113 Ag12 F12 I N8 O8 S8 -","- C180 H226 Ag24 F24 I2 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0666","0.0552","","","0.151","0.1583","","","","","","1.112","","","","has coordinates,has disorder","215977","2020-10-21","18:00:00",""
"1551440","17.2348","0.0003","17.2348","0.0003","20.8923","0.0009","90","","90","","90","","6205.8","0.3","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0725","0.0559","","","0.1293","0.1387","","","","","","1.083","","","","has coordinates,has disorder","215978","2020-10-21","18:00:00",""
"1551441","17.2529","0.0003","17.2529","0.0003","20.6795","0.0007","90","","90","","90","","6155.5","0.3","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0446","0.0442","","","0.1201","0.1204","","","","","","1.149","","","","has coordinates,has disorder","215979","2020-10-21","18:00:00",""
"1551442","17.2603","0.0001","17.2603","0.0001","20.5849","0.0005","90","","90","","90","","6132.61","0.16","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C92 H124 Ag12 F12 N8 O8 S8 -","- C184 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0248","0.0223","","","0.0537","0.0545","","","","","","1.031","","","","has coordinates,has disorder","215980","2020-10-21","18:00:00",""
"1551483","25.4839","0.0007","33.5954","0.001","37.4035","0.001","89.22","0.002","83.44","0.002","80.438","0.002","31370.6","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C336 H264 F96 Fe8 N96 Sb16 -","- C336 H264 F26.7 Fe8 N96 Sb4.45 -","- C672 H528 F53.4 Fe16 N192 Sb8.9 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1772","0.1408","","","0.3916","0.4176","","","","","","1.137","","","","has coordinates,has disorder","216055","2020-10-21","18:00:00",""
"1551484","22.2379","0.001","22.4501","0.0009","30.1489","0.0016","69.385","0.002","86.301","0.003","78.614","0.002","13810.4","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C232 H194.5 F48 Fe4 N42.5 O24.5 P8 -","- C232 H194.5 F42 Fe4 N42.5 O24.5 P7 -","- C464 H389 F84 Fe8 N85 O49 P14 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","1.54178","CuKα","","0.1689","0.1232","","","0.3327","0.3803","","","","","","1.261","","","","has coordinates,has disorder","216056","2020-10-21","18:00:00",""
"1551485","53.942","0.002","28.539","0.0007","41.2325","0.0015","90","","90.231","0.003","90","","63475","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C279 H244.5 As8 F48 Fe4 N37.5 O24 -","- C279 H244.5 As6.8 F40.8 Fe4 N37.5 O24 -","- C2232 H1956 As54.4 F326.4 Fe32 N300 O192 -","8","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1627","0.1431","","","0.372","0.3909","","","","","","1.114","","","","has coordinates,has disorder","216057","2020-10-21","18:00:00",""
"1551543","29.47019","0.00018","17.3534","0.00007","38.00346","0.00016","90","","103.98","0.0007","90","","18859.6","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C276 H174 Co6 P6 Te8 -","- C276.12 H174 Co6 P6 Te8 -","- C1104.48 H696 Co24 P24 Te32 -","4","0.5","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.0594","0.0472","","","0.1156","0.1246","","","","","","1.066","","","","has coordinates,has disorder","216153","2020-10-21","18:00:00",""
"1551544","16.9985","0.0004","16.9985","0.0004","55.684","0.0015","90","","90","","120","","13934.2","0.6","100","","100","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C234 H126 Co6 P6 Te8 -","- C234 H126 Co6 P6 Te8 -","- C702 H378 Co18 P18 Te24 -","3","0.0833333","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.1076","0.0933","","","0.2857","0.3068","","","","","","1.066","","","","has coordinates,has disorder","216154","2020-10-21","18:00:00",""
"1551545","26.5695","0.001","17.056","0.0005","21.1219","0.0008","90","","104.26","0.004","90","","9276.9","0.6","102","4","102","4","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C246 H126 Co6 N8 P6 Te8 -","- C246 H126 Co6 N8 P6 Te8 -","- C492 H252 Co12 N16 P12 Te16 -","2","0.25","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","1.54184","CuKα","","0.1162","0.1048","","","0.2802","0.2957","","","","","","1.19","","","","has coordinates,has disorder","216155","2020-10-21","18:00:00",""
"1551572","18.321","0.008","13.543","0.006","18.649","0.009","90","0.008","108.372","0.008","90","0.009","4391","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 N4 Ni2 O11 -","- C44 H58 N4 Ni2 O11 -","- C176 H232 N16 Ni8 O44 -","4","0.5","","LIM, Jongwan; SHIN, Yunseok; HAN, Junhee; RYU, Sanghoon; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Di-μ-phenolato-μ-aqua-bridged Dinuclear Nickel(II) Complex with <i>N,N</i>′-Disalicylidene-2,2′-(ethylenedioxy)bis(ethylamine)","X-ray Structure Analysis Online","2017","33","0","5","","10.2116/xraystruct.33.5","","","0.71073","MoKα","","0.0526","0.0347","","","0.07","0.0736","","","","","","0.875","","","","has coordinates","216182","2020-10-21","18:00:00",""
"1551573","12.154","0.003","11.821","0.003","15.945","0.004","90","","112.214","0.003","90","","2120.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N4 Ni4 O10 -","- C34 H48 N4 Ni4 O10 -","- C68 H96 N8 Ni8 O20 -","2","0.5","","MIKURIYA, Masahiro; TAKEUCHI, Masahiro; YOSHIOKA, Daisuke","Tetranuclear Nickel(II) Complex with an Unsymmetrical Pentadentate Schiff-base Ligand Having a Defective Double-Cubane Core","X-ray Structure Analysis Online","2017","33","0","31","","10.2116/xraystruct.33.31","","","0.71073","MoKα","","0.06","0.0363","","","0.0926","0.1022","","","","","","0.952","","","","has coordinates","216183","2020-10-21","18:00:00",""
"1551574","10.676","0.002","10.017","0.002","24.438","0.006","90","","100.89","0.01","90","","2566.4","0.9","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoic acid","","- C30 H24 O9 -","- C30 H24 O9 -","- C120 H96 O36 -","4","1","","DOCHEV, Stefan; ROLLER, Alexander; MILUNOVIC, Miljan; MANOLOV, Ilia","Synthesis and Crystal Structure of 4-(Bis(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)methyl)benzoic Acid","X-ray Structure Analysis Online","2017","33","0","53","","10.2116/xraystruct.33.53","","x-ray","0.71073","MoKα","","0.1119","0.0609","","","0.135","0.1579","","","","","","1.045","","","","has coordinates,has disorder","216184","2020-10-21","18:00:00",""
"1551575","7.9064","0.0002","13.7091","0.0004","20.7535","0.0006","90.87","0.002","92.579","0.002","93.419","0.002","2242.83","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 B F4 Fe N6 O2 -","- C48 H58 B F4 Fe N6 O2 -","- C96 H116 B2 F8 Fe2 N12 O4 -","2","1","","IDE, Yuki; YAMADA, Yuya; MORI, Shigeki; IKEUE, Takahisa","Crystal Structure of a Six-coordinated (2,3,7,8,12,13,17,18-Octaethylporphyrinato)iron(III) Complex with Two 4-Methylpyridine <i>N</i>-Oxides","X-ray Structure Analysis Online","2017","33","0","25","","10.2116/xraystruct.33.25","","","0.71075","MoKα","","0.0773","0.0517","","","0.1062","0.1167","","","","","","1.029","","","","has coordinates,has disorder","216185","2020-10-21","18:00:00",""
"1551576","17.6548","0.0012","19.0788","0.0013","9.2011","0.0009","90","","103.547","0.002","90","","3013","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 Ni O8 -","- C32 H30 N4 Ni O8 -","- C128 H120 N16 Ni4 O32 -","4","0.5","","UEJI, Kan; SHINOZAKI, Satsuki; MIYAMURA, Kazuo","Crystal Structure of the Bis[bis(<i>p</i>-methoxyphenyl)glyoximato]nickel(II) Complex","X-ray Structure Analysis Online","2017","33","0","71","","10.2116/xraystruct.33.71","","","0.71073","MoKα","","0.153","0.0683","","","0.1454","0.1821","","","","","","1.019","","","","has coordinates","216186","2020-10-21","18:00:00",""
"1551577","17.975","0.002","18.894","0.002","9.2081","0.0011","90","","113.728","0.002","90","","2862.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 Cu N4 O1.5 -","- C14 H14 Cu N4 O1.5 -","- C112 H112 Cu8 N32 O12 -","8","1","","MIKURIYA, Masahiro; HARA, Masashi; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Dinuclear Assembly in a Copper(II) Complex with 1,3-Bis(pyrrole-2-methylideneamino)-2-propanol","X-ray Structure Analysis Online","2017","33","0","67","","10.2116/xraystruct.33.67","","","0.71073","MoKα","","0.0395","0.032","","","0.0957","0.0991","","","","","","1.073","","","","has coordinates","216187","2020-10-21","18:00:00",""
"1551578","15.2889","0.0004","15.8587","0.0004","16.2403","0.0005","84.596","0.002","63.769","0.003","84.162","0.002","3508.49","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 Cl7 Fe N6 O6 -","- C72 H72 Cl7 Fe N6 O6 -","- C144 H144 Cl14 Fe2 N12 O12 -","2","1","","IDE, Yuki; HOSODA, Haruka; ISHIMAE, Hiroki; MORI, Shigeki; IKEUE, Takahisa","Crystal Structure of a Six-coordinated [5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrinato-<i>k</i><sup>4</sup><i>N</i>]iron(III) Complex with Two 3,5-Dimethylpyridine <i>N</i>-Oxides","X-ray Structure Analysis Online","2017","33","0","49","","10.2116/xraystruct.33.49","","","0.71075","MoKα","","0.1012","0.0628","","","0.1327","0.1517","","","","","","1.023","","","","has coordinates,has disorder","216188","2020-10-21","18:00:00",""
"1551579","10.178","0.003","13.357","0.004","8.845","0.003","90","","98.613","0.005","90","","1188.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 S3 -","- C9 H12 N2 S3 -","- C36 H48 N8 S12 -","4","1","","OSMAN, Uwaisulqarni M.; TAHIR, M. Ibrahim M.; CROUSE, Karen A.; RAVOOF, Thahira Begum S. A.","Crystal Structure of Methyl-<i>N</i>′-[1-(thiophen-2-yl)propylidene]hydrazinecarbodithioate","X-ray Structure Analysis Online","2017","33","0","57","","10.2116/xraystruct.33.57","","","0.71073","MoKα","","0.0373","0.0336","","","0.0894","0.0928","","","","","","1.069","","","","has coordinates","216189","2020-10-21","18:00:00",""
"1551580","9.364","0.003","17.725","0.005","7.753","0.002","90","","105.004","0.005","90","","1242.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 Ni O4 -","- C13 H14 N2 Ni O4 -","- C52 H56 N8 Ni4 O16 -","4","1","","MIKURIYA, Masahiro; TAKEUCHI, Masahiro; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Nickel(II) Complex Derived from Unsymmetrical α-(2-Hydroxy-3-salicylideneaminopropyl)iminopropionic Acid","X-ray Structure Analysis Online","2017","33","0","45","","10.2116/xraystruct.33.45","","","0.71073","MoKα","","0.1586","0.0601","","","0.1172","0.1444","","","","","","0.909","","","","has coordinates","216190","2020-10-21","18:00:00",""
"1551581","16.6818","0.0012","11.5428","0.0008","9.2234","0.0006","90","","90","","90","","1776","0.2","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 B N O -","- C21 H22 B N O -","- C84 H88 B4 N4 O4 -","4","1","","SAKIYAMA, Hiroshi; ICHI, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Crystal Structure of a Tetracoordinate Organoboron Coordination Compound, Dimethylformamide-triphenylborane Complex","X-ray Structure Analysis Online","2017","33","0","29","","10.2116/xraystruct.33.29","","","0.71073","MoKα","","0.0526","0.0429","","","0.0977","0.102","","","","","","1.022","","","","has coordinates","216191","2020-10-21","18:00:00",""
"1551582","6.914","0.0005","7.7202","0.0005","8.7383","0.0007","79.467","0.006","73.033","0.005","67.106","0.005","409.71","0.05","138","","138","","","","","","","","","4","P 1","P 1","1","","","","- C12 H25 N O13 -","- C12 H25 N O13 -","- C12 H25 N O13 -","1","1","","FUJIMOTO, Takashi; NISHIO, Toshiyuku; HOSAKA, Hiroki; MIZOGUCHI, Saori; TASHIRO, Mitsuru","Crystal Structure of β-D-Fructofuranosyl-[2↔1]-6-amido-6-deoxy-α-D-glucopyranoside","X-ray Structure Analysis Online","2017","33","0","63","","10.2116/xraystruct.33.63","","","0.71075","MoKα","","","0.0264","","","","0.0836","","","","","","1.013","","","","has coordinates","216192","2020-10-21","18:00:00",""
"1551583","9.6947","0.0012","12.0269","0.0015","13.2626","0.0018","94.036","0.002","108.801","0.002","104.82","0.002","1395.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H16 N4 Ni O1.5 -","- C13.5 H16 N4 Ni O1.5 -","- C54 H64 N16 Ni4 O6 -","4","2","","MIKURIYA, Masahiro; HARA, Masashi; YOSHIOKA, Daisuke","Synthesis and Crystal Structure of a Nickel(II) Complex with 1,3-Bis(pyrrole-2-methylideneamino)-2-propanol","X-ray Structure Analysis Online","2017","33","0","59","","10.2116/xraystruct.33.59","","","0.71073","MoKα","","0.0709","0.0401","","","0.0877","0.0955","","","","","","0.918","","","","has coordinates","216193","2020-10-21","18:00:00",""
"1551584","12.5115","0.0007","10.5337","0.0006","15.008","0.0009","90","","94.0547","0.0019","90","","1973","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N2 O4 Pd -","- C21 H24 N2 O4 Pd -","- C84 H96 N8 O16 Pd4 -","4","1","","AHMAD, Shahrul Nizam; BAHRON, Hadariah; TAJUDDIN, Amalina M.; YUSOF, M. Sukeri M.","Crystal Structure of 2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol)palladium(II)","X-ray Structure Analysis Online","2017","33","0","73","","10.2116/xraystruct.33.73","","","0.71073","MoKα","","0.0585","0.0415","","","0.1251","0.1477","","","","","","1.144","","","","has coordinates","216194","2020-10-21","18:00:00",""
"1551585","17.319","0.003","9.7041","0.0017","13.352","0.002","90","","114.032","0.003","90","","2049.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C88 H128 N8 O8 -","4","0.5","","MIKURIYA, Masahiro; MATSUSHIMA, Iyo; HANAMOTO, Yukiko; YOSHIOKA, Daisuke","Synthesis and Crystal Structure of <i>N,N</i>′-Bis(2-hydroxy-3,5-dimethylbenzyl)-<i>N,N</i>′-dimethyl-1,2-ethanediamine","X-ray Structure Analysis Online","2017","33","0","1","","10.2116/xraystruct.33.1","","","0.71073","MoKα","","0.082","0.0524","","","0.1439","0.1629","","","","","","1.045","","","","has coordinates","216195","2020-10-21","18:00:00",""
"1551586","7.0109","0.0008","11.7862","0.0013","14.9095","0.0016","111.814","0.002","91.72","0.002","101.036","0.002","1115.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide","1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide","","- C9 H8 F3 N3 S -","- C9 H8 F3 N3 S -","- C36 H32 F12 N12 S4 -","4","2","","OSMAN, Uwaisulqarni M.; FARIZAL, Azieda Syafika N.; ARSHAD, Suhana; KADIR, Maisara Abdul","Crystal Structure of (<i>Z</i>)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide","X-ray Structure Analysis Online","2017","33","0","3","","10.2116/xraystruct.33.3","","","0.71073","MoKα","","0.0848","0.0438","","","0.1078","0.1327","","","","","","1.009","","","","has coordinates,has disorder","216196","2020-10-21","18:00:00",""
"1551587","22.7667","0.0013","19.1628","0.0011","17.3218","0.001","90","","96.15","0.001","90","","7513.6","0.7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H100 B2 Cl2 Mg2 N4 O10 -","- C82 H100 B2 Cl2 Mg2 N4 O10 -","- C328 H400 B8 Cl8 Mg8 N16 O40 -","4","0.5","","SAKIYAMA, Hiroshi; TAKAHATA, Saki; KASHIMOTO, Naoki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Crystal Structure of a Dinuclear Magnesium(II) Complex with 4-Chloro-2,6-bis[(2-hydroxyethyl)methylaminomethyl]phenolate","X-ray Structure Analysis Online","2017","33","0","75","","10.2116/xraystruct.33.75","","","0.71073","MoKα","","0.06","0.0418","","","0.1023","0.1106","","","","","","1.036","","","","has coordinates","216197","2020-10-21","18:00:00",""
"1551588","18.157","0.002","13.1691","0.0017","18.88","0.003","90","","110.483","0.002","90","","4229","1","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H56 N4 Ni2 O11 -","- C43 H55 N4 Ni2 O11 -","- C172 H220 N16 Ni8 O44 -","4","1","","LIM, Jongwan; SHIN, Yunseok; RYU, Sanghoon; MITSUHASHI, Ryoji; OMOTE, Masataka; SAKIYAMA, Hiroshi; MIKURIYA, Masahiro","Ferromagnetic Dinuclear Nickel(II) Complex with a Schiff-base Having a Di-μ-phenolato-μ-methanol-bridged Core","X-ray Structure Analysis Online","2017","33","0","21","","10.2116/xraystruct.33.21","","","0.71073","MoKα","","0.0663","0.0532","","","0.1342","0.1455","","","","","","0.926","","","","has coordinates","216198","2020-10-21","18:00:00",""
"1551589","15.4085","0.00014","13.0737","0.00014","27.383","0.0003","90","","98.0922","0.0009","90","","5461.27","0.1","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cl N6 O3.5 Ru -","- C28 H26 Cl N6 O3.5 Ru -","- C224 H208 Cl8 N48 O28 Ru8 -","8","1","","TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu","Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride","X-ray Structure Analysis Online","2017","33","0","11","","10.2116/xraystruct.33.11","","","1.54187","CuKα","","0.0274","0.0267","","","0.0709","0.0714","","","","","","1.044","","","","has coordinates","216199","2020-10-21","18:00:00",""
"1551590","8.7221","0.0002","9.697","0.0003","31.8548","0.001","90","","90","","90","","2694.22","0.13","138","","138","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 N O20 -","- C20 H37 N O20 -","- C80 H148 N4 O80 -","4","1","","FUJIMOTO, Takashi; YAMANO, Akihito; NISHIO, Toshiyuku; SAKAKI, Yohei; TASHIRO, Mitsuru","Crystal Structure of β-D-Galactopyranosyl-(1\ρightarrow 6)-β-D-fructofuranosyl-(2↔1)-2-acetamido-2-deoxy-α-D-glucopyranoside","X-ray Structure Analysis Online","2017","33","0","35","","10.2116/xraystruct.33.35","","","0.71075","MoKα","","0.0718","0.0667","","","0.1692","0.172","","","","","","1.081","","","","has coordinates,has disorder","216200","2020-10-21","18:00:00",""
"1551591","13.975","0.003","12.475","0.003","12.158","0.003","90","","100.091","0.004","90","","2086.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 Mo2 N4 O4 S2 -","- C8 H22 Mo2 N4 O4 S2 -","- C32 H88 Mo8 N16 O16 S8 -","4","0.5","","MIKURIYA, Masahiro; KUSUNOKI, Koji; KOTERA, Takanori; YOSHIOKA, Daisuke; OGASAWARA, Kazuyoshi","Synthesis, Crystal Structure, and DFT Calculation of a Dioxido-bridged Dinuclear Oxidomolybdenum(V) Complex with 2-(2-Aminoethyl)aminoethanethiol","X-ray Structure Analysis Online","2017","33","0","37","","10.2116/xraystruct.33.37","","","0.71073","MoKα","","0.0532","0.0373","","","0.0945","0.0975","","","","","","0.921","","","","has coordinates","216201","2020-10-21","18:00:00",""
"1551592","8.4305","0.0016","27.302","0.005","19.131","0.004","90","","102.724","0.002","90","","4295.2","1.4","113","","113","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 B2 Cl2 Cu2 F8 N6 O5 -","- C35 H46 B2 Cl2 Cu2 F8 N6 O5 -","- C140 H184 B8 Cl8 Cu8 F32 N24 O20 -","4","1","","UMEMOTO, Yusuke; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki","Synthesis and Crystal Structure of a Dinuclear Cu(II) Complex with <i>N,N,N</i>′,<i>N</i>′-Tetrakis(2-pyridylmethyl)-1,6-hexanediamine","X-ray Structure Analysis Online","2017","33","0","65","","10.2116/xraystruct.33.65","","","0.71075","MoKα","","0.0908","0.0694","","","0.1793","0.1976","","","","","","1.089","","","","has coordinates","216202","2020-10-21","18:00:00",""
"1551593","9.6898","0.0002","10.4576","0.0003","21.0199","0.0003","83.6336","0.0017","89.3963","0.0015","73.819","0.002","2032.53","0.08","119.98","0.1","119.98","","","","","","","","","6","P 1","P 1","1","","","","- C18 H21 Cl3 N3 O2.202 P -","- C18 H21 Cl3 N3 O2.2025 P -","- C72 H84 Cl12 N12 O8.81 P4 -","4","4","","ARIANI, Maral; POURAYOUBI, Mehrdad; DUŠEK, Michal; VAHDANI ALVIRI, Banafsheh; EIGNER, Václav; DAMODARAN, Krishnan","Synthesis, Spectroscopic Study and Crystal Structure of a New Single-Enantiomer C(O)NHP(O)-based Phosphoric Triamide, CCl<sub>3</sub>C(O)NHP(O)[(R)-(+)-NHCH(CH<sub>3</sub>)(C<sub>6</sub>H<sub>5</sub>)]<sub>2</sub>·0.25H<sub>2</sub>O","X-ray Structure Analysis Online","2017","33","0","17","","10.2116/xraystruct.33.17","","x-ray","1.54184","CuKα","","0.0655","0.0578","","","0.1435","0.1511","","","","2.02","2.02","1.9","","","","has coordinates","216203","2020-10-21","18:00:00",""
"1551594","9.3554","0.0004","11.445","0.0005","11.5629","0.0004","87.14","0.002","78.807","0.0019","69.2119","0.0019","1135.21","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N5 O5 -","- C23 H29 N5 O5 -","- C46 H58 N10 O10 -","2","1","","GUILLON, Jean; MONTOIR, David; MARCHIVIE, Mathieu; DUFLOS, Muriel; BAZIN, Marc-Antoine","Crystal Structure of <i>N</i>-(7-{[2-(Dimethylamino)ethyl]amino}-1-methyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-3,4,5-trimethoxybenzamide","X-ray Structure Analysis Online","2017","33","0","41","","10.2116/xraystruct.33.41","","","0.71073","MoKα","","0.0915","0.0492","","","0.1175","0.1385","","","","","","1.012","","","","has coordinates,has disorder","216204","2020-10-21","18:00:00",""
"1551595","8.57927","0.00017","6.99494","0.00016","21.076","0.0004","90","","99.4787","0.0019","90","","1247.53","0.05","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 B N O5 S -","- C11 H14 B N O5 S -","- C44 H56 B4 N4 O20 S4 -","4","1","","TAKEYAMA, Tomoyuki; NAKAJIMA, Yuki; KATAGIRI, Kosuke; IWATSUKI, Satoshi","Crystal Structure of a Methanesulfonate Salt of 3-(<i>N</i>-Methyl)quinolinium Boronic Acid","X-ray Structure Analysis Online","2017","33","0","9","","10.2116/xraystruct.33.9","","x-ray","1.54184","CuKα","","0.0355","0.0316","","","0.0823","0.0853","","","","","","1.046","","","","has coordinates","216205","2020-10-21","18:00:00",""
"1551596","7.9129","0.0011","17.27","0.003","21.673","0.003","90","","90","","90","","2961.7","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N Ni S10 -","- C23 H28 N Ni S10 -","- C92 H112 N4 Ni4 S40 -","4","1","","KAKIHARA, Shunta; SAEKI, Masahiro; ICHIMURA, Shuhei; TAMAKI, Yoshinori; MIYAMURA, Kazuo","Crystal Structure of Benzyldimethyl(ω-cyclohexylethyl)ammonium Bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","X-ray Structure Analysis Online","2017","33","0","15","","10.2116/xraystruct.33.15","","","0.71073","MoKα","","0.0802","0.0469","","","0.0641","0.0734","","","","","","0.821","","","","has coordinates","216206","2020-10-21","18:00:00",""
"1551826","20.5708","0.0008","21.4332","0.0008","24.3151","0.0008","92.087","0.003","91.4","0.003","112.299","0.004","9903.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C194 H201 Cl8 N27 O54 Zn4 -","- C194 H201 Cl8 N27 O54 Zn4 -","- C388 H402 Cl16 N54 O108 Zn8 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.2255","0.133","","","0.3079","0.3727","","","","","","1.314","","","","has coordinates","216447","2020-10-21","18:00:00",""
"1551827","19.6706","0.0005","22.8014","0.0005","25.4507","0.0005","99.269","0.002","107.063","0.002","106.023","0.002","10118.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C55.5 H49.5 F6 N6 O6 -","- C55.5 H49.5 F6 N6 O6 -","- C444 H396 F48 N48 O48 -","8","4","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1903","0.1124","","","0.2724","0.332","","","","","","1.236","","","","has coordinates,has disorder","279817","2022-12-09","07:50:26",""
"1551828","12.1557","0.0005","24.1339","0.001","39.3371","0.0009","85.206","0.002","87.55","0.002","75.675","0.004","11139.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C380 H294 Cl12 F36 N40 O88 Zn6 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.3131","0.1543","","","0.3195","0.4101","","","","","","1.176","","","","has coordinates,has disorder","216449","2020-10-21","18:00:00",""
"1551829","33.7737","0.0007","19.1957","0.0005","37.7788","0.0007","90","","101.142","0.002","90","","24030.7","0.9","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C744 H588 Cl24 F72 N60 O180 Zn12 -","6","1.5","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1465","0.0928","","","0.223","0.2593","","","","","","1.137","","","","has coordinates,has disorder","277994","2022-09-20","08:32:41",""
"1551832","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","216453","2020-10-21","18:00:00",""
"1551833","19.211","0.003","19.674","0.003","22.866","0.004","97.606","0.005","114.089","0.005","109.756","0.005","7048","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H72 B12 F60 O12 -","- C156 H72 B12 F60 O12 -","- C312 H144 B24 F120 O24 -","2","1","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","0.71073","MoKα","","0.1771","0.068","","","0.1509","0.203","","","","","","1.008","","","","has coordinates","216454","2020-10-21","18:00:00",""
"1551851","10.838","0.0008","11.7188","0.0009","15.3855","0.0011","111.957","0.004","95.397","0.004","103.468","0.004","1726.6","0.2","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","1","0.5","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0664","0.0451","","","0.1182","0.1297","","","","","","1.031","","","","has coordinates,has disorder","216472","2020-10-21","18:00:00",""
"1551852","10.1072","0.0004","9.2624","0.0004","15.2719","0.0006","90","","93.254","0.002","90","","1427.4","0.1","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 P -","- C19 H15 P -","- C76 H60 P4 -","4","1","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0327","0.0308","","","0.083","0.0851","","","","","","1.061","","","","has coordinates","216473","2020-10-21","18:00:00",""
"1551886","8.4416","0.0005","10.8919","0.0007","7.2749","0.0004","90.465","0.002","113.158","0.002","78.08","0.002","599.74","0.06","100","2","100","2","","","","","","","Green River formation Uinta Co. Utah","4","P -1","-P 1","2","abelsonite","","abelsonite","- C31 H32 N4 Ni -","- C31 H32 N4 Ni -","- C31 H32 N4 Ni -","1","0.5","","Daniel R. Hummer; Bruce C. Noll; Robert M. Hazen; Robert T. Downs","Crystal structure of abelsonite, the only known crystalline geoporphyrin","American Mineralogist","2017","102","","1129","1132","10.2138/am-2017-5927","","","0.71073","MoKα","","0.0514","0.0406","","","0.0942","0.1019","","","","","","1.077","","","","has coordinates,has disorder","216528","2020-10-21","18:00:00",""
"1551889","8.6241","0.0001","9.7969","0.0002","18.9232","0.0003","80.469","0.002","83.314","0.001","76.243","0.002","1526.55","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H31 F14 N O Si -","- C29 H31 F14 N O Si -","- C58 H62 F28 N2 O2 Si2 -","2","2","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.0439","0.0413","","","0.122","0.1242","","","","","","1.059","","","","has coordinates","216531","2020-10-21","18:00:00",""
"1551890","29.4752","0.0019","8.8183","0.0006","37.823","0.002","90","","97.4465","0.0018","90","","9748.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H26 O2 S -","- C33 H26 O2 S -","- C528 H416 O32 S16 -","16","8","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.71073","MoKα","","0.11","0.0862","","","0.1829","0.1935","","","","","","1.07","","","","has coordinates","216532","2020-10-21","18:00:00",""
"1551891","10.6934","0.0003","17.4932","0.0004","24.2485","0.0006","90","","90","","90","","4536","0.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 B F18 N O2 Si -","- C41.9996 H45.9992 B F18 N O1.9999 Si -","- C167.998 H183.997 B4 F72 N4 O7.9996 Si4 -","4","1","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.1037","0.0783","","","0.2159","0.2302","","","","","","1.579","","","","has coordinates,has disorder","216533","2020-10-21","18:00:00",""
"1551908","13.747","0.002","8.8403","0.0013","12.9567","0.0018","90","","114.796","0.002","90","","1429.4","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B F2 N4 -","- C15 H13 B F2 N4 -","- C60 H52 B4 F8 N16 -","4","1","","Hai Qian; Morgan E. Cousins; Erik H. Horak; Audrey Wakefield; Matthew D. Liptak; Ivan Aprahamian","Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission","Nature Chemistry","2017","9","","83","87","10.1038/nchem.2612","","","0.71073","MoKα","","0.087","0.0496","","","0.1372","0.1648","","","","","","1.05","","","","has coordinates","216572","2020-10-21","18:00:00",""
"1551977","6.1691","0.0002","10.6043","0.0004","12.4939","0.0005","97.479","0.001","97.453","0.001","99.925","0.001","788.51","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 Au N4 -","- C44 H28 Au N4 -","- C44 H28 Au N4 -","1","0.5","","Sebastian Preiss; Christoph Forster; Sven Otto; Matthias Bauer; Patrick Muller; Dariush Hinderberger; Haleh Hashemi Haeri; Luca Carella; Katja Heinze","Structure and reactivity of a mononuclear gold(II) complex","Nature Chemistry","2017","9","","1249","1255","10.1038/nchem.2836","","","0.71073","MoKα","","0.0249","0.0246","","","0.0569","0.0569","","","","","","1.066","","","","has coordinates","216741","2020-10-21","18:00:00",""
"1551978","16.1707","0.0001","13.4756","0.0001","40.4746","0.0003","90","","99.5199","0.0006","90","","8698.35","0.11","150","","150","","","","","","","",".","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H81 B F24 Ga N2 P2 Rh -","- C88 H81 B F24 Ga N2 P2 Rh -","- C352 H324 B4 F96 Ga4 N8 P8 Rh4 -","4","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0719","0.0693","","0.1682","0.1657","0.1682","","","","","","0.9609","","","","has coordinates,has disorder","216742","2020-10-21","18:00:00",""
"1551979","15.8418","0.0002","17.8312","0.0003","19.9771","0.0004","67.4818","0.0016","79.5277","0.0014","88.0398","0.0013","5122.13","0.16","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C174 H228 Al2 F74 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0875","0.0857","","0.2589","0.2565","0.2589","","","","","","1.0248","","","","has coordinates,has disorder","216743","2020-10-21","18:00:00",""
"1551980","11.0613","0.0002","18.6711","0.0003","20.1393","0.0004","87.3183","0.0014","84.9976","0.0015","88.3665","0.0015","4137.67","0.13","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C142 H182 Al2 F72 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0611","0.059","","0.1451","0.1427","0.1451","","","","","","0.9245","","","","has coordinates,has disorder","216744","2020-10-21","18:00:00",""
"1551981","18.3055","0.0004","20.3348","0.0005","22.683","0.0005","95.335","0.002","90.4516","0.0018","93.0358","0.0018","8394.4","0.3","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C288 H372 Al4 F144 Ga4 N8 O16 P8 Rh4 -","4","2","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0887","0.0775","","0.2101","0.1974","0.2099","","","","","","0.991","","","","has coordinates,has disorder","216745","2020-10-21","18:00:00",""
"1551982","13.5818","0.0002","19.8497","0.0003","19.8951","0.0003","95.6299","0.0012","90.1027","0.0013","91.1299","0.0012","5336.67","0.14","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C190 H239 Al2 F73 Ga4 N8 O8 P2 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0374","0.0362","","0.0935","0.0925","0.0935","","","","","","0.9958","","","","has coordinates,has disorder","216746","2020-10-21","18:00:00",""
"1552008","10.7341","0.0003","19.6772","0.0006","17.8417","0.0005","90","","104.847","0.003","90","","3642.65","0.19","150.01","0.11","150.01","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Th -","- C39 H63 Th -","- C156 H252 Th4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.048","0.0358","","","0.0611","0.0652","","","","","","1.015","","","","has coordinates","216817","2020-10-21","18:00:00",""
"1552009","10.7925","0.0006","19.3497","0.001","17.8721","0.0012","90","","104.314","0.006","90","","3616.4","0.4","150.02","0.14","150.02","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 U -","- C39 H63 U -","- C156 H252 U4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","x-ray","0.71073","MoKα","","0.1249","0.0588","","","0.085","0.0983","","","","","","0.969","","","","has coordinates","216818","2020-10-21","18:00:00",""
"1552010","20.1","0.002","21.4218","0.0008","20.1165","0.0015","90","","118.596","0.011","90","","7605.1","1.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Cl U -","- C39 H63 Cl U -","- C312 H504 Cl8 U8 -","8","2","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.1207","0.0613","","","0.0976","0.118","","","","","","1.028","","","","has coordinates","216819","2020-10-21","18:00:00",""
"1552051","11.2408","0.001","4.6467","0.0004","25.9293","0.0019","90","","99.857","0.005","90","","1334.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H14 Br4 N4 -","- C34 H14 Br4 N4 -","- C68 H28 Br8 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","1.54178","CuKα","","0.0532","0.0501","","","0.122","0.1253","","","","","","1.162","","","","has coordinates","216869","2020-10-21","18:00:00",""
"1552052","3.77","0.0006","16.615","0.002","17.088","0.003","90","","95.723","0.006","90","","1065","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 N4 -","- C34 H18 N4 -","- C68 H36 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","0.71073","MoKα","","0.1135","0.0904","","","0.2791","0.3065","","","","","","1.272","","","","has coordinates","216870","2020-10-21","18:00:00",""
"1552957","11.7721","0.0005","14.2054","0.0006","6.1836","0.0003","90","","90","","90","","1034.07","0.08","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle Salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L.","3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.","Analytical chemistry","2017","89","8","4405","4408","10.1021/acs.analchem.7b00443","","x-ray","1.54178","CuKα","","0.0185","0.0182","","","0.0418","0.042","","","","","","1.075","","","","has coordinates","231208","2020-10-21","18:00:00",""
"1552958","11.7708","0.0004","14.2037","0.0005","6.1841","0.0002","90","","90","","90","","1033.91","0.06","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle Salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L.","3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.","Analytical chemistry","2017","89","8","4405","4408","10.1021/acs.analchem.7b00443","","x-ray","1.54178","CuKα","","0.0185","0.018","","","0.0405","0.0407","","","","","","1.066","","","","has coordinates","231208","2020-10-21","18:00:00",""
"1553307","14.6436","0.0005","10.578","0.0004","15.5742","0.0007","90","","92.794","0.002","90","","2409.58","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44.25 H74 N5 O11 -","- C44.25 H74 N5 O11 -","- C88.5 H148 N10 O22 -","2","1","","Almaliti, Jehad; Malloy, Karla L.; Glukhov, Evgenia; Spadafora, Carmenza; Gutiérrez, Marcelino; Gerwick, William H.","Dudawalamides A-D, Antiparasitic Cyclic Depsipeptides from the Marine Cyanobacterium Moorea producens.","Journal of natural products","2017","80","6","1827","1836","10.1021/acs.jnatprod.7b00034","","x-ray","1.54178","CuKα","K-L~3~","0.0693","0.0685","","","0.1919","0.1926","","","","","","1.059","","","","has coordinates,has disorder","234082","2020-10-21","18:00:00",""
"1553308","14.6675","0.0005","11.5099","0.0004","18.5162","0.0006","90","","104.72","0.001","90","","3023.34","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0689","0.0456","","","0.1029","0.1157","","","","","","1.04","","","","has coordinates,has disorder","234084","2020-10-21","18:00:00",""
"1553309","9.3466","0.0005","12.3756","0.0007","14.0627","0.0007","90","","98.832","0.002","90","","1607.34","0.15","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0871","0.0628","","","0.1658","0.1912","","","","","","1.047","","","","has coordinates,has disorder","234085","2020-10-21","18:00:00",""
"1553310","9.0364","0.0003","8.1877","0.0003","10.7482","0.0003","90","","101.86","0.0012","90","","778.25","0.04","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0348","0.032","","","0.0789","0.0813","","","","","","1.08","","","","has coordinates","234087","2020-10-21","18:00:00",""
"1553311","9.7921","0.0016","11.467","0.0018","13.899","0.002","88.098","0.005","79.234","0.005","79.122","0.005","1505.6","0.4","296","2","296","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","2","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","x-ray","0.71073","MoKα","","0.1358","0.0664","","","0.1263","0.1571","","","","","","1.047","","","","has coordinates,has disorder","234088","2020-10-21","18:00:00",""
"1553312","15.7364","0.001","19.8524","0.0013","11.454","0.0007","90","","90","","90","","3578.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C35 H44 O12 -","- C35 H44 O12 -","- C140 H176 O48 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Neyts, Johan; Leyssen, Pieter; Touboul, David; Litaudon, Marc; Paolini, Julien","Isolation of Premyrsinane, Myrsinane, and Tigliane Diterpenoids from Euphorbia pithyusa Using a Chikungunya Virus Cell-Based Assay and Analogue Annotation by Molecular Networking.","Journal of natural products","2017","80","7","2051","2059","10.1021/acs.jnatprod.7b00233","","","1.54187","CuKα","","0.2189","0.0604","","","0.0566","0.0817","","","","","","0.885","","","","has coordinates","234090","2020-10-21","18:00:00",""
"1553407","9.7278","0.0019","10.55","0.002","11.522","0.002","91.22","0.03","109.68","0.03","108.69","0.03","1043.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cl4 N4 Ni2 O2 -","- C42 H54 Cl4 N4 Ni2 O2 -","- C42 H54 Cl4 N4 Ni2 O2 -","1","0.5","","Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua","Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts","Polymer Chemistry","2017","8","6","995","","10.1039/C6PY02089E","","","0.71073","MoKα","","0.0384","0.0336","","","0.1043","0.1231","","","","","","1.262","","","","has coordinates","234784","2020-10-21","18:00:00",""
"1553408","9.0742","0.0018","14.496","0.003","12.391","0.003","90","","98.03","0.03","90","","1613.9","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cl2 N4 Ni -","- C36 H40 Cl2 N4 Ni -","- C72 H80 Cl4 N8 Ni2 -","2","0.5","","Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua","Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts","Polymer Chemistry","2017","8","6","995","","10.1039/C6PY02089E","","","0.71073","MoKα","","0.0373","0.0358","","","0.0854","0.0865","","","","","","1.0388","","","","has coordinates","234784","2020-10-21","18:00:00",""
"1553409","5.2286","0.0005","8.35","0.0006","20.2441","0.0018","79.956","0.007","89.888","0.008","81.369","0.007","860.17","0.13","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","PBDK1","","- C17 H20 Br N O5 -","- C17 H20 Br N O5 -","- C34 H40 Br2 N2 O10 -","2","1","","Xie, Tongqing; Zhang, Baicheng; Zhang, Xuepeng; Zhang, Guoqing","AIE-active β-diketones containing pyridiniums: fluorogenic binding to cellulose and water-vapour-recoverable mechanochromic luminescence","Materials Chemistry Frontiers","2017","1","4","693","","10.1039/C6QM00187D","","","0.71073","MoKα","","0.0965","0.0586","","","0.1258","0.1487","","","","","","1.025","","","","has coordinates,has disorder","234962","2020-10-21","18:00:00",""
"1553410","9.6692","0.0002","15.1682","0.0003","28.4042","0.0005","90","","95.927","0.002","90","","4143.61","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Br2 N2 Ni -","- C46 H44 Br2 N2 Ni -","- C184 H176 Br8 N8 Ni4 -","4","0.5","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","1.54178","CuKα","","0.1277","0.1202","","","0.3249","0.3336","","","","","","1.062","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553411","10.7748","0.0004","24.3601","0.0008","18.0013","0.0008","90","","95.951","0.004","90","","4699.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 Cl3 N2 Pd -","- C55 H47 Cl N2 Pd -","- C220 H188 Cl4 N8 Pd4 -","4","1","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","0.71073","MoKα","","0.1581","0.1192","","","0.3576","0.3835","","","","","","1.976","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553412","13.1491","0.0006","19.2193","0.001","19.3227","0.0008","105.127","0.004","109.315","0.004","96.896","0.004","4333","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H47 Cl N2 Pd -","- C47 H47 Cl N2 Pd -","- C188 H188 Cl4 N8 Pd4 -","4","2","","Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle","Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization","Materials Chemistry Frontiers","2017","1","5","967","","10.1039/C6QM00235H","","","1.54184","CuKα","","0.1046","0.0893","","","0.2273","0.238","","","","","","1.079","","","","has coordinates","234964","2020-10-21","18:00:00",""
"1553413","15.4081","0.0005","6.0485","0.0002","22.1271","0.0007","90","","102.299","0.003","90","","2014.83","0.12","173","0.3","173.15","","","","","","","","","3","I 1 2 1","I 2y","5","TPT","2,3,4,5-tetraphenylthiophene","","- C28 H20 S -","- C28 H20 S -","- C112 H80 S4 -","4","1","","Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong","Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?","Materials Chemistry Frontiers","2017","1","6","1125","","10.1039/C6QM00343E","","","1.54178","CuKα","","0.0378","0.0355","","","0.0832","0.0851","","","","","","1.002","","","","has coordinates","234966","2020-10-21","18:00:00",""
"1553414","21.71","0.007","8.16","0.0015","24.855","0.008","90","","113.396","0.019","90","","4041","2","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","TPF","2,3,4,5-tetraphenylfuran","","- C28 H20 O -","- C28 H20 O -","- C224 H160 O8 -","8","1","","Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong","Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?","Materials Chemistry Frontiers","2017","1","6","1125","","10.1039/C6QM00343E","","","0.71073","MoKα","","0.0489","0.0378","","","0.1012","0.1095","","","","","","1.052","","","","has coordinates","234966","2020-10-21","18:00:00",""
"1553415","10.495","0.004","11.772","0.004","13.789","0.006","81.56","0.02","71.751","0.016","72.938","0.017","1543.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N2 O2 S2 -","- C40 H26 N2 O2 S2 -","- C80 H52 N4 O4 S4 -","2","1","","Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; Ravikanth, M.","Benzothiazoles-substituted tetraphenylethylenes: synthesis, structure, aggregation-induced emission and biological studies","Materials Chemistry Frontiers","2017","1","6","1207","","10.1039/C6QM00374E","","","0.71075","MoKα","","0.0933","0.0723","","","0.1448","0.1561","","","","","","1.132","","","","has coordinates","234969","2020-10-21","18:00:00",""
"1553416","13.352","0.004","16.32","0.005","17.943","0.005","99.33","0.004","104.402","0.0016","108.992","0.003","3452.4","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N2 O2 S2 -","- C42 H30 N2 O2 S2 -","- C168 H120 N8 O8 S8 -","4","2","","Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; Ravikanth, M.","Benzothiazoles-substituted tetraphenylethylenes: synthesis, structure, aggregation-induced emission and biological studies","Materials Chemistry Frontiers","2017","1","6","1207","","10.1039/C6QM00374E","","","0.71075","MoKα","","0.0989","0.0733","","","0.1649","0.1808","","","","","","1.101","","","","has coordinates","234969","2020-10-21","18:00:00",""
"1553417","11.4427","0.0017","14.514","0.002","16.196","0.003","65.694","0.005","69.783","0.005","73.998","0.005","2272.2","0.6","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","ZnTETA","","- C78 H82 N4 O16 Zn3 -","- C78 H82 N4 O16 Zn3 -","- C78 H82 N4 O16 Zn3 -","1","0.5","","King, Stephen Charles; Lin, Rui-Biao; Wang, Hailong; Arman, Hadi D.; Chen, Banglin","Two-dimensional metal‒organic frameworks for selective separation of CO2/CH4 and CO2/N2","Materials Chemistry Frontiers","2017","1","8","1514","","10.1039/C6QM00375C","","","0.71073","MoKα","","0.172","0.1319","","","0.318","0.3495","","","","","","1.059","","","","has coordinates,has disorder","234971","2020-10-21","18:00:00",""
"1553497","8.125","0.0016","9.328","0.0019","11.408","0.002","90.91","0.03","96.19","0.03","107.69","0.03","817.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Dai, Jie; Ren, Wenlong; Chang, Wenju; Zhang, Ping; Shi, Yian","An effective route to β2-amino acid derivatives via Pd-catalyzed regioselective hydrocarboxylation of 1,2-disubstituted enimides","Organic Chemistry Frontiers","2017","4","2","297","","10.1039/C6QO00353B","","","0.71073","MoKα","","0.1599","0.0691","","","0.1238","0.1481","","","","","","1.001","","","","has coordinates","235064","2020-10-21","18:00:00",""
"1553519","11.5593","0.0003","14.0068","0.0003","17.8914","0.0004","90","","90","","90","","2896.78","0.12","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F2 N2 O2 -","- C36 H32 F2 N2 O2 -","- C144 H128 F8 N8 O8 -","4","1","","Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng","Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles","Organic Chemistry Frontiers","2017","4","1","57","","10.1039/C6QO00446F","","","1.54178","CuKα","","0.0409","0.0361","","","0.1029","0.1084","","","","","","0.821","","","","has coordinates","235091","2020-10-21","18:00:00",""
"1553520","19.661","0.013","10.71","0.007","17.118","0.011","90","","97.306","0.011","90","","3575","4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 -","- C44 H50 N2 -","- C176 H200 N8 -","4","1","","Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng","Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles","Organic Chemistry Frontiers","2017","4","1","57","","10.1039/C6QO00446F","","","0.71073","MoKα","","0.1483","0.0877","","","0.1849","0.221","","","","","","1.07","","","","has coordinates","235093","2020-10-21","18:00:00",""
"1553521","6.9478","0.0005","9.1969","0.0005","11.8012","0.001","82.206","0.006","81.643","0.007","75.22","0.006","717.55","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ph-CH3)-S-[Ph(OCH3)3]","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0488","0.0374","","","0.0923","0.0976","","","","","","1.031","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553522","7.68603","0.00016","23.9176","0.0004","7.76261","0.00017","90","","111.053","0.003","90","","1331.76","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(Ph-(OCH3)2)","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0309","0.0287","","","0.0772","0.0786","","","","","","1.07","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553523","5.7042","0.0003","25.743","0.002","7.8069","0.0004","90","","94.59","0.005","90","","1142.71","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(Ph-CN)","","","- C14 H11 N S -","- C14 H11 N S -","- C56 H44 N4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","0.71073","MoKα","","0.049","0.0426","","","0.0937","0.0967","","","","","","1.066","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553524","5.7958","0.0003","25.4544","0.0012","8.3123","0.0004","90","","93.626","0.004","90","","1223.85","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(PhCOCH3)","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","0.71073","MoKα","","0.0442","0.0359","","","0.0856","0.0903","","","","","","1.046","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553525","5.611","0.0003","25.6833","0.0013","8.991","0.0004","90","","98.982","0.004","90","","1279.8","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(PhCOOCH3)","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0725","0.0551","","","0.1475","0.1531","","","","","","1.18","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553526","5.67633","0.00018","26.8781","0.0008","7.7875","0.0002","90","","95.042","0.003","90","","1183.53","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Ph-CN)-S-(PhOCH3)","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0356","0.0332","","","0.0883","0.0899","","","","","","1.058","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553527","7.8232","0.0004","11.6428","0.0005","14.5818","0.0007","84.863","0.004","83.654","0.004","73.557","0.004","1263.68","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ph-CN)-S-S-(Ph-CN)","","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C56 H32 N8 S8 -","4","2","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0784","0.0691","","","0.2121","0.2166","","","","","","1.119","","","","has coordinates","235096","2020-10-21","18:00:00",""
"1553530","7.455","0.0005","11.3624","0.0007","18.4877","0.0013","90","","92.585","0.006","90","","1564.44","0.18","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H53 N O3 -","- C35 H53 N O3 -","- C70 H106 N2 O6 -","2","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0628","0.0567","","","0.1539","0.1616","","","","","","1.04","","","","has coordinates","235102","2020-10-21","18:00:00",""
"1553531","6.52391","0.0001","12.9427","0.0002","31.7963","0.0006","90","","90","","90","","2684.78","0.08","154.89","0.1","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0436","0.0381","","","0.0965","0.1006","","","","","","1.023","","","","has coordinates","235102","2020-10-21","18:00:00",""
"1553543","7.348","0.0009","22.781","0.003","11.236","0.0015","90","","101.092","0.013","90","","1845.7","0.4","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides","Organic Chemistry Frontiers","2017","4","1","77","","10.1039/C6QO00479B","","","0.71073","MoKα","","0.1248","0.0677","","","0.1801","0.2255","","","","","","1.024","","","","has coordinates,has disorder","235114","2020-10-21","18:00:00",""
"1553544","9.3103","0.0008","4.8793","0.0005","30.741","0.003","90","","96.596","0.008","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides","Organic Chemistry Frontiers","2017","4","1","77","","10.1039/C6QO00479B","","","0.71073","MoKα","","0.0875","0.0562","","","0.1248","0.1436","","","","","","1.043","","","","has coordinates","235116","2020-10-21","18:00:00",""
"1553545","33.922","0.006","33.922","0.006","11.008","0.002","90","","90","","120","","10970","3","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C450 H378 N18 O36 S18 -","18","1","","Gong, Xinxing; Li, Guangming; Wu, Jie","Synthesis of polycyclic sultams via a palladium-catalyzed reaction of 1-bromo-2-(cyclopropylidenemethyl)benzenes with 2-alkynylbenzenesulfonamides","Organic Chemistry Frontiers","2017","4","1","14","","10.1039/C6QO00480F","","","0.71073","MoKα","","0.0953","0.062","","","0.1336","0.1442","","","","","","0.925","","","","has coordinates","235118","2020-10-21","18:00:00",""
"1553547","5.3248","0.0004","17.2473","0.001","7.6729","0.0006","90","","96.167","0.006","90","","700.59","0.09","123","","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C36 H24 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0461","0.0231","","","0.0494","0.0525","","","","","","0.84","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553548","6.6723","0.0015","8.653","0.002","15.099","0.003","90","","111.66","0.01","90","","810.2","0.3","123","","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 -","- C20 H16 Br2 -","- C40 H32 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0845","0.0628","","","0.1605","0.1831","","","","","","1.076","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553549","21.802","0.003","4.9336","0.0005","18.875","0.003","90","","90.188","0.013","90","","2030.2","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Br2 -","- C28 H16 Br2 -","- C112 H64 Br8 -","4","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.1474","0.0681","","","0.157","0.1785","","","","","","0.831","","","","has coordinates,has disorder","235123","2020-10-21","18:00:00",""
"1553550","10.0648","0.0005","11.6684","0.0006","12.2462","0.0006","77.981","0.002","86.017","0.002","79.287","0.002","1381.44","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","jm192.1","","- C36 H32 Br2 -","- C36 H32 Br2 -","- C72 H64 Br4 -","2","1","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0695","0.0508","","","0.1308","0.1396","","","","","","1.07","","","","has coordinates,has disorder","235123","2020-10-21","18:00:00",""
"1553551","11.131","0.0004","10.249","0.0003","11.763","0.0004","90","","101.301","0.002","90","","1315.92","0.08","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Br2 -","- C34 H28 Br2 -","- C68 H56 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","x-ray","1.54178","CuKα","","0.1028","0.0691","","","0.1474","0.1648","","","","","","1.041","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553552","10.8252","0.0008","13.5794","0.001","14.2122","0.001","114.377","0.004","91.316","0.005","95.604","0.004","1889.2","0.2","100","","100","","","","","","","","","2","P -1","-P 1","2","","jm245.3b","","- C50 H38 -","- C50 H38 -","- C100 H76 -","2","1","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","x-ray","1.54178","CuKα","","0.1377","0.1086","","","0.259","0.2735","","","","","","1.09","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553554","20.3","0.005","5.882","0.005","27.651","0.005","90","0.002","94.075","0.003","90","0.001","3293","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","iodo methoxy phenyl methyl phenylselenophene","3-iodo-5-(methoxy(phenyl)methyl)-2-phenylselenophene","","- C18 H15 I O Se -","- C18 H15 I O Se -","- C144 H120 I8 O8 Se8 -","8","1","","Pistoia, Renan P.; Roehrs, Juliano A.; Back, Davi F.; Zeni, Gilson","Iodine-mediated regioselective 5-endo-dig electrophilic cyclization reaction of selenoenynes: synthesis of selenophene derivatives","Organic Chemistry Frontiers","2017","4","2","277","","10.1039/C6QO00491A","","","0.71073","MoKα","","0.0854","0.046","","","0.0627","0.0699","","","","","","1.037","","","","has coordinates","235127","2020-10-21","18:00:00",""
"1553555","19.0809","0.0007","5.7136","0.0002","17.2112","0.0006","90","","100.175","0.001","90","","1846.87","0.11","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","3-iodo-5-isopropoxy-2,4-diphenylselenophene","3-iodo-5-isopropoxy-2,4-diphenylselenophene","","- C20 H19 I O Se -","- C20 H19 I O Se -","- C80 H76 I4 O4 Se4 -","4","1","","Pistoia, Renan P.; Roehrs, Juliano A.; Back, Davi F.; Zeni, Gilson","Iodine-mediated regioselective 5-endo-dig electrophilic cyclization reaction of selenoenynes: synthesis of selenophene derivatives","Organic Chemistry Frontiers","2017","4","2","277","","10.1039/C6QO00491A","","","0.71073","MoKα","","0.0243","0.0207","","","0.0482","0.0495","","","","","","1.07","","","","has coordinates","235127","2020-10-21","18:00:00",""
"1553556","11.4186","0.0019","9.7011","0.0017","13.152","0.002","90","","92.473","0.004","90","","1455.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O8 S -","- C29 H25 Cl N2 O8 S -","- C58 H50 Cl2 N4 O16 S2 -","2","1","","He, Fu-Sheng; Li, Cong-Shan; Deng, Hua; Zheng, Xing; Yang, Zhong-Tao; Deng, Wei-Ping","The facile and stereoselective synthesis of pyrrolidine β-amino acids via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","1","52","","10.1039/C6QO00512H","","","0.71073","MoKα","","0.0552","0.0461","","","0.1112","0.1179","","","","","","1","","","","has coordinates","235129","2020-10-21","18:00:00",""
"1553557","14.3717","0.0006","5.917","0.0002","21.4597","0.0009","90","","90","","90","","1824.88","0.12","300","","300","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.1073","0.0671","","","0.1467","0.1967","","","","","","1.0503","","","","has coordinates","235134","2020-10-21","18:00:00",""
"1553558","7.9447","0.0003","10.3826","0.0004","17.0108","0.0007","90","","90","","90","","1403.16","0.1","300","","300","","","","","","","","Synthesized compound","3","P 21 21 21","P 2ac 2ab","19","","2,3-diphenylbenzofuran","","- C20 H14 O -","- C20 H14 O -","- C80 H56 O4 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.0579","0.0502","","","0.1222","0.1338","","","","","","1.0451","","","","has coordinates","235134","2020-10-21","18:00:00",""
"1553559","21.226","0.003","8.2493","0.0007","16.985","0.002","90","","109.61","0.014","90","","2801.6","0.6","294.74","0.1","294.74","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O7 S3 -","- C27 H31 N O7 S3 -","- C108 H124 N4 O28 S12 -","4","1","","Chen, Fei; Zhou, Neng-Neng; Zhan, Jun-Long; Han, Bing; Yu, Wei","tert-Butyl nitrite-mediated vicinal sulfoximation of alkenes with sulfinic acids: a highly efficient approach toward α-sulfonyl ketoximes","Organic Chemistry Frontiers","2017","4","1","135","","10.1039/C6QO00535G","","","0.71073","MoKα","","0.1316","0.0909","","","0.2444","0.2645","","","","","","1.073","","","","has coordinates","235136","2020-10-21","18:00:00",""
"1553560","25.961","0.0017","5.793","0.0003","22.2512","0.0017","90","","114.088","0.009","90","","3055","0.4","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","1","","Chen, Fei; Zhou, Neng-Neng; Zhan, Jun-Long; Han, Bing; Yu, Wei","tert-Butyl nitrite-mediated vicinal sulfoximation of alkenes with sulfinic acids: a highly efficient approach toward α-sulfonyl ketoximes","Organic Chemistry Frontiers","2017","4","1","135","","10.1039/C6QO00535G","","x-ray","0.71073","MoKα","","0.1117","0.0626","","","0.1415","0.1744","","","","","","1.032","","","","has coordinates","235136","2020-10-21","18:00:00",""
"1553561","6.52","0.006","8.149","0.007","18.175","0.015","102.278","0.014","95.21","0.015","97.731","0.016","927.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N O2 S2 -","- C18 H16 F3 N O2 S2 -","- C36 H32 F6 N2 O4 S4 -","2","1","","Chen, Min-Tao; Tang, Xiang-Ying; Shi, Min","A facile approach for the trifluoromethylthiolation of methylenecyclopropanes","Organic Chemistry Frontiers","2017","4","1","86","","10.1039/C6QO00536E","","","0.71073","MoKα","","0.1295","0.0942","","","0.2386","0.2635","","","","","","1.05","","","","has coordinates,has disorder","235138","2020-10-21","18:00:00",""
"1553562","13.451","0.004","14.313","0.004","15.248","0.004","86.714","0.004","63.827","0.003","90.014","0.004","2629.2","1.3","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","4","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0847","0.0536","","","0.1215","0.1378","","","","","","1.039","","","","has coordinates","235140","2020-10-21","18:00:00",""
"1553563","7.3875","0.0004","11.6702","0.0006","13.4944","0.0007","64.647","0.001","82.911","0.001","77.69","0.001","1026.5","0.09","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C52 H40 Cl2 N2 O6 -","2","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0347","0.0314","","","0.0892","0.0913","","","","","","1.037","","","","has coordinates","235140","2020-10-21","18:00:00",""
"1553564","8.5455","0.0004","12.047","0.0006","12.1501","0.0006","60.733","0.001","81.883","0.002","87.112","0.002","1079.97","0.09","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O6 S -","- C23 H24 N2 O6 S -","- C46 H48 N4 O12 S2 -","2","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0552","0.0474","","","0.1229","0.1296","","","","","","1.069","","","","has coordinates","235140","2020-10-21","18:00:00",""
"1553565","9.3265","0.001","9.7095","0.0009","23.593","0.002","78.225","0.008","84.998","0.008","75.52","0.008","2023.6","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 S4 -","- C44 H52 N4 S4 -","- C88 H104 N8 S8 -","2","1","","Xia, Debin; Keerthi, Ashok; An, Cunbin; Baumgarten, Martin","Synthesis of a quinoidal dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b′]-dithiophene based open-shell singlet biradicaloid","Organic Chemistry Frontiers","2017","4","1","18","","10.1039/C6QO00543H","","","1.54178","CuKα","","0.1924","0.0676","","","0.1475","0.2042","","","","","","0.802","","","","has coordinates","235142","2020-10-21","18:00:00",""
"1553566","8.101","0.0016","19.041","0.004","13.693","0.003","90","","107.19","0.03","90","","2017.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O8 -","- C20 H21 N O8 -","- C80 H84 N4 O32 -","4","1","","Zhang, Li; Zhang, Beichen; Jiang, Teng; Lu, Tao; Zhou, Qingfa","Synthesis of tricyclic 3-hydroxyisoindolin-1-ones via triethylamine-catalyzed domino reactions of electron-deficient alkynes with phthalimidomalonate derivatives","Organic Chemistry Frontiers","2017","4","1","119","","10.1039/C6QO00544F","","","0.71073","MoKα","","0.1304","0.0679","","","0.1552","0.1807","","","","","","1.008","","","","has coordinates","235144","2020-10-21","18:00:00",""
"1553567","11.366","0.004","11.305","0.004","14.788","0.006","90","","110.536","0.006","90","","1779.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C88 H64 Cl4 N4 O8 -","4","1","","Zhu, Chao-Qun; Deng, Zhuo-Fei; Zhang, Yahong; Wang, You-Qing","Synthesis of 4-substituted 3-(2-hydroxyphenyl)-quinolines through an unexpected iron(iii) chloride promoted reaction of cyclic imine dibenzo[b,f][1,4]oxazepines with alkynes","Organic Chemistry Frontiers","2017","4","2","196","","10.1039/C6QO00545D","","","0.71073","MoKα","","0.0485","0.0359","","","0.11","0.1195","","","","","","0.973","","","","has coordinates","235146","2020-10-21","18:00:00",""
"1553568","8.902","0.006","13.209","0.009","12.059","0.008","90","","99.65","0.007","90","","1397.9","1.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C66 H60 N8 O6 -","2","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0389","0.0335","","","0.0782","0.0823","","","","","","1.051","","","","has coordinates","235147","2020-10-21","18:00:00",""
"1553569","9.662","0.004","12.286","0.006","24.441","0.011","90","","90","","90","","2901","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N4 O3 -","- C31 H27 Br N4 O3 -","- C124 H108 Br4 N16 O12 -","4","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0536","0.0363","","","0.0791","0.0854","","","","","","1.034","","","","has coordinates","235147","2020-10-21","18:00:00",""
"1553570","8.4091","0.0001","8.4091","0.0001","29.3175","0.0006","90","","90","","90","","2073.13","0.05","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Xu, Meng-Meng; Wang, Hai-Qing; Wan, Ying; He, Guofeng; Yan, Jingjing; Zhang, Shu; Wang, Shu-Liang; Shi, Feng","Catalytic asymmetric substitution of ortho-hydroxybenzyl alcohols with tetronic acid-derived enamines: enantioselective synthesis of tetronic acid-derived diarylmethanes","Organic Chemistry Frontiers","2017","4","3","358","","10.1039/C6QO00549G","","","1.54178","CuKα","","0.0591","0.0574","","","0.1527","0.155","","","","","","1.047","","","","has coordinates","235149","2020-10-21","18:00:00",""
"1553571","7.2915","0.0005","12.7983","0.001","15.9552","0.0009","90","","90","","90","","1488.92","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl N2 O3 -","- C15 H17 Cl N2 O3 -","- C60 H68 Cl4 N8 O12 -","4","1","","Peng, Xiao-Jiao; Ho, Yee Ann; Wang, Zhi-Peng; Shao, Pan-Lin; Zhao, Yu; He, Yun","Formal [3 + 2] cycloaddition of α-unsubstituted isocyanoacetates and methyleneindolinones: enantioselective synthesis of spirooxindoles","Organic Chemistry Frontiers","2017","4","1","81","","10.1039/C6QO00555A","","","0.71073","MoKα","","0.071","0.0481","","","0.095","0.1103","","","","","","1.052","","","","has coordinates","235151","2020-10-21","18:00:00",""
"1553572","7.74798","0.00019","9.1129","0.0002","21.719","0.0005","90","","90","","90","","1533.5","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl F3 N3 O3 -","- C15 H11 Cl F3 N3 O3 -","- C60 H44 Cl4 F12 N12 O12 -","4","1","","Hao, Xin-Qi; Wang, Cong; Liu, Shuang-Liang; Wang, Xiao; Wang, Li; Gong, Jun-Fang; Song, Mao-Ping","Cobalt(ii)/(imidazoline‒oxazoline)-catalyzed enantioselective Michael addition of 2-acetyl azaarenes to β-CF3-β-disubstituted nitroalkenes","Organic Chemistry Frontiers","2017","4","2","308","","10.1039/C6QO00562D","","x-ray","1.54184","CuKα","","0.039","0.0367","","","0.0913","0.094","","","","","","1.069","","","","has coordinates","235153","2020-10-21","18:00:00",""
"1553573","7.68","0.005","8.494","0.005","11.449","0.007","85.96","0.007","77.314","0.007","66.467","0.007","667.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Chen, Jichao; Wang, Tianyu; Wang, Tong; Lin, Aijun; Yao, Hequan; Xu, Jinyi","Copper-catalyzed C5-selective thio/selenocyanation of 8-aminoquinolines","Organic Chemistry Frontiers","2017","4","1","130","","10.1039/C6QO00590J","","","0.71073","MoKα","","0.0618","0.0458","","","0.1472","0.1661","","","","","","0.986","","","","has coordinates","235155","2020-10-21","18:00:00",""
"1553574","9.8916","0.0007","26.4389","0.0019","7.7778","0.0006","90","","90","","90","","2034.1","0.3","133","2","133","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C19 H23 Br N O3 P -","- C19 H23 Br N O3 P -","- C76 H92 Br4 N4 O12 P4 -","4","1","","Wang, Xubin; Wang, Xiaoming; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Palladium-catalyzed asymmetric allylic amination: enantioselective synthesis of chiral α-methylene substituted β-aminophosphonates","Organic Chemistry Frontiers","2017","4","2","271","","10.1039/C6QO00597G","","","0.71073","MoKα","","0.0629","0.0454","","","0.1077","0.1145","","","","","","1.092","","","","has coordinates","235157","2020-10-21","18:00:00",""
"1553575","21.2715","0.0003","21.2715","0.0003","64.3247","0.0014","90","","90","","90","","29105.4","0.9","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","azahelicene dimer","","- C153.47 H187.47 Cl4.41 N2 Si8 -","- C153.47 H187.479 Cl4.41 N2 Si8 -","- C1227.76 H1499.83 Cl35.28 N16 Si64 -","8","1","","Ushiyama, Ayako; Hiroto, Satoru; Yuasa, Junpei; Kawai, Tsuyoshi; Shinokubo, Hiroshi","Synthesis of a figure-eight azahelicene dimer with high emission and CPL properties","Organic Chemistry Frontiers","2017","4","5","664","","10.1039/C6QO00629A","","","0.71073","MoKα","","0.1947","0.1475","","","0.3637","0.4128","","","","","","1.172","","","","has coordinates,has disorder","235160","2020-10-21","18:00:00",""
"1553576","9.4639","0.0002","21.8249","0.0005","9.3192","0.0002","90","","104.752","0.003","90","","1861.42","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl F N O2 -","- C21 H21 Cl F N O2 -","- C84 H84 Cl4 F4 N4 O8 -","4","1","","Li, Jianxiao; Hu, Weigao; Li, Chunsheng; Yang, Shaorong; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed cascade reaction of haloalkynes with unactivated alkenes for assembly of functionalized oxetanes","Organic Chemistry Frontiers","2017","4","3","373","","10.1039/C6QO00633G","","x-ray","1.54184","CuKα","","0.0476","0.0446","","","0.1182","0.1209","","","","","","1.033","","","","has coordinates","235162","2020-10-21","18:00:00",""
"1553577","7.813","0.004","5.321","0.003","15.394","0.008","90","","91.594","0.008","90","","639.7","0.6","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C30 H30 Br2 O4 -","2","1","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0582","0.0575","","","0.1494","0.1501","","","","","","1.071","","","","has coordinates","235164","2020-10-21","18:00:00",""
"1553578","5.651","0.002","16.364","0.007","38.4918","0.0016","90","","90","","90","","3559","2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br F O2 -","- C11 H14 Br F O2 -","- C132 H168 Br12 F12 O24 -","12","3","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0824","0.0694","","","0.1075","0.1135","","","","","","1.159","","","","has coordinates","235164","2020-10-21","18:00:00",""
"1553579","10.248","0.006","14.634","0.007","11.146","0.005","90","","107.352","0.018","90","","1595.5","1.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 B F2 N5 O -","- C17 H12 B F2 N5 O -","- C68 H48 B4 F8 N20 O4 -","4","0.5","","Barbon, Stephanie M.; Novoa, Samantha; Bender, Desiree; Groom, Hilary; Luyt, Leonard G.; Gilroy, Joe B.","Copper-assisted azide‒alkyne cycloaddition chemistry as a tool for the production of emissive boron difluoride 3-cyanoformazanates","Organic Chemistry Frontiers","2017","4","2","178","","10.1039/C6QO00640J","","","0.71073","MoKα","","0.077","0.0428","","","0.0962","0.1107","","","","","","1.037","","","","has coordinates,has disorder","235166","2020-10-21","18:00:00",""
"1553580","7.3184","0.0002","13.4865","0.0003","17.4149","0.0004","101.672","0.002","94.139","0.002","101.918","0.002","1635.33","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br2 Cl F3 -","- C16 H10 Br2 Cl F3 -","- C64 H40 Br8 Cl4 F12 -","4","2","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0611","0.0454","","","0.1445","0.1869","","","","","","1.067","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553581","7.8481","0.0005","10.5581","0.0007","12.2042","0.001","75.472","0.006","72.741","0.006","72.301","0.006","905.55","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br F3 O -","- C20 H20 Br F3 O -","- C40 H40 Br2 F6 O2 -","2","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0414","0.0388","","","0.1066","0.1098","","","","","","1.022","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553582","8.3533","0.0005","9.4941","0.0004","12.1934","0.0007","100.216","0.004","97.306","0.005","100.289","0.004","923.7","0.09","105","8","105","8","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br F3 O2 -","- C20 H20 Br F3 O2 -","- C40 H40 Br2 F6 O4 -","2","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","0.7107","MoKα","","0.0345","0.0286","","","0.0627","0.0651","","","","","","1.048","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553583","16.4974","0.0002","6.84171","0.0001","28.6498","0.0003","90","","90","","90","","3233.72","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br2 F3 -","- C18 H15 Br2 F3 -","- C144 H120 Br16 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.5418","CuKα","","0.0263","0.0232","","","0.0596","0.0612","","","","","","1.055","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553584","7.1399","0.0002","9.7404","0.0003","22.8361","0.0006","97.673","0.002","97.146","0.002","106.455","0.003","1487.32","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Br2 F3 -","- C16 H11 Br2 F3 -","- C64 H44 Br8 F12 -","4","2","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0498","0.0469","","","0.1234","0.1276","","","","","","1.057","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553585","22.8229","0.0015","7.4881","0.0004","16.5828","0.0011","90","","102.102","0.007","90","","2771","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br F3 -","- C17 H12 Br F3 -","- C136 H96 Br8 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0498","0.0379","","","0.0933","0.1027","","","","","","1.044","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553586","8.2233","0.0003","22.8182","0.0007","10.0565","0.0003","90","","109.447","0.004","90","","1779.36","0.11","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br Cl F3 -","- C19 H17 Br Cl F3 -","- C76 H68 Br4 Cl4 F12 -","4","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","0.7107","MoKα","","0.0347","0.0266","","","0.0598","0.0631","","","","","","1.011","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553587","6.9379","0.0019","19.798","0.006","17.773","0.004","90","","90","","90","","2441.2","1.1","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C12 H11 I N2 O2 -","- C12 H11 I N2 O2 -","- C96 H88 I8 N16 O16 -","8","0.5","","He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua","Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position","Organic Chemistry Frontiers","2017","4","6","1046","","10.1039/C6QO00644B","","","0.71073","MoKα","","0.044","0.0379","","","0.0866","0.0901","","","","","","1.13","","","","has coordinates","235172","2020-10-21","18:00:00",""
"1553588","10.4263","0.0009","10.2668","0.0009","40.789","0.004","90","","90.6212","0.0014","90","","4366","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3,3-tris(3,5-di-t-butyl)prop-1-yne, dichloromethane solvate","","- C46 H66 Cl2 -","- C45 H64 -","- C180 H256 -","4","1","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1479","0.1593","","","","","","1.065","","","","has coordinates,has disorder","235174","2020-10-21","18:00:00",""
"1553589","10.3367","0.0013","10.4631","0.0013","19.275","0.002","88.5549","0.0018","78.0127","0.0018","88.5903","0.0019","2038.2","0.4","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","5,5,5-tris(3,5-di-t-butylphenyl)penta-1,3-diyne","","- C47 H64 -","- C47 H64 -","- C94 H128 -","2","1","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.0692","0.0523","","","0.1344","0.1467","","","","","","1.031","","","","has coordinates,has disorder","235174","2020-10-21","18:00:00",""
"1553590","14.154","0.003","14.154","0.003","12.123","0.002","90","","90","","120","","2103.3","0.7","173","2","173","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,1,1-tris(3,5-di-t-butylphenyl)hepta-2,4,6-triyne","","- C49 H64 -","- C49 H64 -","- C98 H128 -","2","0.333333","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.072","0.0411","","","0.0776","0.0882","","","","","","1.035","","","","has coordinates","235174","2020-10-21","18:00:00",""
"1553591","7.858","0.003","26.656","0.008","8.984","0.003","90","","90.001","0.001","90","","1881.8","1.1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F7 N2 O -","- C20 H13 F7 N2 O -","- C80 H52 F28 N8 O4 -","4","1","","Xu, Jun; Qiao, Li; Ying, Beibei; Zhu, Xiaolei; Shen, Chao; Zhang, Pengfei","Transition-metal-free direct perfluoroalkylation of quinoline amides at C5 position through radical cross-coupling under mild conditions","Organic Chemistry Frontiers","2017","4","6","1116","","10.1039/C6QO00655H","","","0.71073","MoKα","","0.1144","0.0545","","","0.1328","0.1523","","","","","","0.887","","","","has coordinates","235177","2020-10-21","18:00:00",""
"1553592","14.2771","0.0002","14.228","0.0002","22.6224","0.0004","90","","99.427","0.001","90","","4533.33","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N2 Se2 Si4 -","- C44 H58 N2 Se2 Si4 -","- C176 H232 N8 Se8 Si16 -","4","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.1114","0.0471","","","0.094","0.1178","","","","","","1.01","","","","has coordinates","235179","2020-10-21","18:00:00",""
"1553593","14.2494","0.0006","14.1245","0.0006","22.4876","0.0009","90","","98.8","0.002","90","","4472.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N2 S2 Si4 -","- C44 H58 N2 S2 Si4 -","- C176 H232 N8 S8 Si16 -","4","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.0919","0.0569","","","0.148","0.1716","","","","","","1.023","","","","has coordinates","235179","2020-10-21","18:00:00",""
"1553594","10.8503","0.0005","12.4427","0.0005","12.9897","0.0005","100.306","0.002","91.28","0.002","108.652","0.002","1628.82","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Br8 N2 -","- C32 H22 Br8 N2 -","- C64 H44 Br16 N4 -","2","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.0558","0.0405","","","0.099","0.1057","","","","","","1.028","","","","has coordinates,has disorder","235179","2020-10-21","18:00:00",""
"1553595","9.842","0.002","21.609","0.004","25.234","0.005","90","","91.32","0.03","90","","5365.2","1.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N14 O4 -","- C50 H52 N14 O4 -","- C200 H208 N56 O16 -","4","1","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","","0.71073","MoKα","","0.1092","0.0942","","","0.2041","0.2128","","","","","","1.208","","","","has coordinates","235183","2020-10-21","18:00:00",""
"1553596","28.402","0.006","9.816","0.002","18.722","0.004","90","","90.7","0.03","90","","5219.2","1.9","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54.83 H62.12 Cl1.76 N16.83 O2 -","- C54.824 H62.12 Cl1.764 N16.824 O2 -","- C219.296 H248.48 Cl7.056 N67.296 O8 -","4","0.5","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","","0.71073","MoKα","","0.087","0.0805","","","0.2196","0.2259","","","","","","1.088","","","","has coordinates,has disorder","235183","2020-10-21","18:00:00",""
"1553597","9.6636","0.0003","15.1098","0.0006","18.1939","0.0007","69.768","0.004","84.466","0.003","84.513","0.003","2475.53","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 N16 O2 -","- C54 H60 N16 O2 -","- C108 H120 N32 O4 -","2","1","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","x-ray","0.71073","MoKα","","0.0858","0.0575","","","0.1283","0.1452","","","","","","1.0409","","","","has coordinates","235183","2020-10-21","18:00:00",""
"1553598","7.5051","0.0007","8.6296","0.0007","11.6509","0.0011","73.729","0.005","77.669","0.004","77.532","0.006","697.78","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H24 S2 -","- C40 H24 S2 -","- C40 H24 S2 -","1","0.5","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.1065","0.0617","","","0.1647","0.1884","","","","","","1.036","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553599","16.8864","0.0004","7.4906","0.0002","24.7447","0.0007","90","","90","","90","","3129.94","0.14","200","2","200","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C46 H32 -","- C46 H32 -","- C184 H128 -","4","1","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.0692","0.0504","","","0.1175","0.1276","","","","","","1.019","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553600","7.597","0.0004","8.9994","0.0004","11.0344","0.0005","78.931","0.002","75.805","0.002","83.409","0.002","715.94","0.06","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H28 -","- C44 H28 -","- C44 H28 -","1","0.5","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.0955","0.0504","","","0.1131","0.1326","","","","","","0.988","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553601","26.478","0.002","8.1615","0.0006","23.0582","0.0017","90","","96.411","0.003","90","","4951.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O5 S -","- C26 H22 N4 O5 S -","- C208 H176 N32 O40 S8 -","8","1","","Chen, Dianpeng; Xing, Gangdong; Yao, Jinzhong; Zhou, Hongwei","Applicable β-sulfonium carbanions: facile construction of thiophene derivatives","Organic Chemistry Frontiers","2017","4","6","1042","","10.1039/C6QO00675B","","","0.71073","MoKα","","0.1002","0.055","","","0.1165","0.1398","","","","","","1.003","","","","has coordinates","235189","2020-10-21","18:00:00",""
"1553602","7.9629","0.0003","16.9905","0.0006","18.7808","0.0005","90","","90","","90","","2540.92","0.15","294.06","0.1","294.06","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 N O S3 -","- C12 H9 N O S3 -","- C96 H72 N8 O8 S24 -","8","1","","Chen, Qiao; Lei, Yingjie; Wang, Yanfang; Wang, Chao; Wang, Yanan; Xu, Zhaoqing; Wang, Huan; Wang, Rui","Direct thiocyanation of ketene dithioacetals under transition-metal-free conditions","Organic Chemistry Frontiers","2017","4","3","369","","10.1039/C6QO00676K","","x-ray","0.71073","MoKα","","0.0697","0.0482","","","0.1129","0.1301","","","","","","1.049","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553603","12.2302","0.0009","15.3106","0.0011","36.571","0.003","90","","90","","90","","6848","0.9","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71 H46 B F24 Ir N O P -","- C71 H46 B F24 Ir N O P -","- C284 H184 B4 F96 Ir4 N4 O4 P4 -","4","1","","Wang, Qian; Zhang, Zongpeng; Chen, Caiyou; Yang, Hailong; Han, Zhengyu; Dong, Xiu-Qin; Zhang, Xumu","Iridium catalysts with modular axial-unfixed biphenyl phosphine‒oxazoline ligands: asymmetric hydrogenation of α,β-unsaturated carboxylic acids","Organic Chemistry Frontiers","2017","4","4","627","","10.1039/C6QO00677A","","","0.71073","MoKα","","0.0652","0.045","","","0.1009","0.1099","","","","","","1.007","","","","has coordinates","235193","2020-10-21","18:00:00",""
"1553604","11.1134","0.0005","21.1702","0.0009","9.8578","0.0004","90","","101.189","0.0013","90","","2275.19","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cu N4 O8 -","- C26 H16 Cu N4 O8 -","- C104 H64 Cu4 N16 O32 -","4","1","","Baur, Andreas; Bustin, Katelyn A.; Aguilera, Ellen; Petersen, Jeffrey L.; Hoover, Jessica M.","Copper and silver benzoate and aryl complexes and their implications for oxidative decarboxylative coupling reactions","Organic Chemistry Frontiers","2017","4","4","519","","10.1039/C6QO00678G","","","0.71073","MoKα","","0.0616","0.037","","","0.078","0.0858","","","","","","1.053","","","","has coordinates","235195","2020-10-21","18:00:00",""
"1553605","8.269","0.003","9.296","0.004","16.904","0.007","90","","93.281","0.004","90","","1297.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0456","0.0372","","","0.0974","0.1039","","","","","","1.033","","","","has coordinates","235197","2020-10-21","18:00:00",""
"1553606","8.874","0.006","13.733","0.009","27.215","0.017","90","","90","","90","","3317","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0465","0.0354","","","0.0886","0.0962","","","","","","1.031","","","","has coordinates","235197","2020-10-21","18:00:00",""
"1553607","8.066","0.008","8.242","0.008","12.157","0.013","92.727","0.013","102.604","0.012","98.233","0.011","778","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-((3-benzoylisoxazol-5-yl)methyl)isoindoline-1,3-dione","","","- C19 H12 N2 O4 -","- C19 H12 N2 O4 -","- C38 H24 N4 O8 -","2","1","","Li, Yingying; Gao, Mingchun; Liu, Bingxin; Xu, Bin","Copper nitrate-mediated chemo- and regioselective annulation from two different alkynes: a direct route to isoxazoles","Organic Chemistry Frontiers","2017","4","3","445","","10.1039/C6QO00704J","","","0.71073","MoKα","","0.0515","0.039","","","0.0985","0.1077","","","","","","1.086","","","","has coordinates","235199","2020-10-21","18:00:00",""
"1553608","9.4574","0.0007","9.9936","0.0009","14.0156","0.0013","89.023","0.007","76.071","0.007","71.074","0.008","1213.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H F N O -","- C10.4 H12.4 F0.8 N0.4 O1.2 -","- C52 H62 F4 N2 O6 -","5","2.5","","Xu, Jian; Song, Qiuling","Synthesis of fully-substituted 1,2,3-triazoles via copper(i)-catalyzed three-component coupling of sulfoximines, alkynes and azides","Organic Chemistry Frontiers","2017","4","6","938","","10.1039/C6QO00725B","","x-ray","0.71073","MoKα","","0.0814","0.0532","","","0.1352","0.156","","","","","","1.031","","","","has coordinates","235201","2020-10-21","18:00:00",""
"1553609","9.7469","0.0007","13.1171","0.0008","17.5212","0.0012","70.806","0.008","75.292","0.008","73.524","0.008","1996.5","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H40 O11 -","- C41 H40 O11 -","- C82 H80 O22 -","2","1","","Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng","Total synthesis of I3,II8-biapigenin and ridiculuflavone A","Organic Chemistry Frontiers","2017","4","4","578","","10.1039/C6QO00726K","","","0.71073","MoKα","","0.0639","0.0482","","","0.1461","0.1549","","","","","","1.092","","","","has coordinates","235203","2020-10-21","18:00:00",""
"1553610","15.1534","0.001","15.8118","0.001","17.7296","0.001","68.774","0.004","76.898","0.005","79.352","0.005","3832","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H46 O11 -","- C43 H46 O11 -","- C172 H184 O44 -","4","2","","Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng","Total synthesis of I3,II8-biapigenin and ridiculuflavone A","Organic Chemistry Frontiers","2017","4","4","578","","10.1039/C6QO00726K","","","0.71073","MoKα","","0.0567","0.0442","","","0.1178","0.1244","","","","","","1.058","","","","has coordinates","235203","2020-10-21","18:00:00",""
"1553611","9.9046","0.0013","10.4946","0.0012","23.736","0.003","90","","90","","90","","2467.2","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl0 N O4 -","- C31 H23 N O4 -","- C124 H92 N4 O16 -","4","1","","Xu, Junyu; Cao, Jing; Fang, Chao; Lu, Tao; Du, Ding","Organocatalytic C‒C bond activation of cyclopropenones for ring-opening formal [3 + 2] cycloaddition with isatins","Organic Chemistry Frontiers","2017","4","4","560","","10.1039/C6QO00734A","","","0.71073","MoKα","","0.1682","0.0492","","","0.0947","0.1414","","","","","","0.943","","","","has coordinates","235205","2020-10-21","18:00:00",""
"1553612","9.263","0.0019","16.211","0.003","15.413","0.003","90","","91.21","0.03","90","","2313.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O3 -","- C30 H21 N O3 -","- C120 H84 N4 O12 -","4","1","","Xu, Junyu; Cao, Jing; Fang, Chao; Lu, Tao; Du, Ding","Organocatalytic C‒C bond activation of cyclopropenones for ring-opening formal [3 + 2] cycloaddition with isatins","Organic Chemistry Frontiers","2017","4","4","560","","10.1039/C6QO00734A","","","0.71073","MoKα","","0.144","0.0673","","","0.155","0.1945","","","","","","1","","","","has coordinates","235205","2020-10-21","18:00:00",""
"1553613","12.3342","0.0005","12.422","0.0005","20.4886","0.0009","94.35","0.003","97.642","0.003","100.981","0.003","3037.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H33 Cl O3 -","- C38.5 H33 Cl O3 -","- C154 H132 Cl4 O12 -","4","2","","Zhang, Yuexia; Wu, Xingxing; Hao, Lin; Wong, Zeng Rong; Lauw, Sherman J. L.; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin","Trimerization of enones under air enabled by NHC/NaOtBu via a SET radical pathway","Organic Chemistry Frontiers","2017","4","3","467","","10.1039/C6QO00738D","","","0.71073","MoKα","","0.1569","0.0817","","","0.1959","0.2444","","","","","","1.021","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1553614","9.077","0.004","10.4","0.004","11.75","0.005","90","","90","","90","","1109.2","0.8","173.15","","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C‒S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0383","0.0374","","","0.1194","0.1208","","","","","","1.013","","","","has coordinates","235209","2020-10-21","18:00:00",""
"1553615","8.189","0.002","14.782","0.004","17.421","0.005","90","","90","","90","","2108.8","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 S2 -","- C23 H19 N O2 S2 -","- C92 H76 N4 O8 S8 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C‒S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0577","0.052","","","0.0937","0.0959","","","","","","1.15","","","","has coordinates","235209","2020-10-21","18:00:00",""
"1553616","10.5479","0.0013","16.6","0.002","13.9079","0.0017","90","","92.242","0.002","90","","2433.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S4 Si2 -","- C22 H24 S4 Si2 -","- C88 H96 S16 Si8 -","4","1","","Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua","Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi","Organic Chemistry Frontiers","2017","4","6","1019","","10.1039/C6QO00754F","","","0.71073","MoKα","","0.0597","0.0447","","","0.1207","0.1333","","","","","","1.046","","","","has coordinates","235211","2020-10-21","18:00:00",""
"1553617","20.763","0.003","20.763","0.003","13.7545","0.0018","90","","90","","90","","5929.6","1.4","296","2","296.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H72 Li4 O4 S4 Si4 -","- C44 H72 Li4 O4 S4 Si4 -","- C176 H288 Li16 O16 S16 Si16 -","4","0.25","","Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua","Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi","Organic Chemistry Frontiers","2017","4","6","1019","","10.1039/C6QO00754F","","","0.71073","MoKα","","0.1222","0.0831","","","0.2424","0.2973","","","","","","1.024","","","","has coordinates","235211","2020-10-21","18:00:00",""
"1553618","5.7832","0.0006","10.4921","0.0011","12.3215","0.0012","90.576","0.003","97.913","0.002","93.157","0.003","739.28","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Chen, Hui; Lin, Cong; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong","One-pot synthesis of fluorescent 2,4-dialkenylindoles by rhodium-catalyzed dual C‒H functionalization","Organic Chemistry Frontiers","2017","4","3","455","","10.1039/C6QO00755D","","","0.71073","MoKα","","0.1123","0.0541","","","0.1153","0.1708","","","","","","1.002","","","","has coordinates","235213","2020-10-21","18:00:00",""
"1553619","13.585","0.004","12.569","0.003","9.741","0.003","90","","106.741","0.006","90","","1592.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Cao, Tongxiang; Chen, Kai; Zhu, Shifa","An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes","Organic Chemistry Frontiers","2017","4","3","450","","10.1039/C6QO00769D","","","0.71073","MoKα","","0.1216","0.0562","","","0.1286","0.1552","","","","","","0.984","","","","has coordinates","235215","2020-10-21","18:00:00",""
"1553620","12.3103","0.0016","20.299","0.003","6.9248","0.0009","90","","95.884","0.003","90","","1721.3","0.4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","1","","Cao, Tongxiang; Chen, Kai; Zhu, Shifa","An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes","Organic Chemistry Frontiers","2017","4","3","450","","10.1039/C6QO00769D","","","0.71073","MoKα","","0.0754","0.0487","","","0.1184","0.133","","","","","","1.023","","","","has coordinates","235215","2020-10-21","18:00:00",""
"1553621","12.4994","0.0013","13.1859","0.0014","16.0253","0.0017","102.651","0.005","95.439","0.006","92.29","0.006","2560.5","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H28 F20 N6 O2 -","- C60 H28 F20 N6 O2 -","- C120 H56 F40 N12 O4 -","2","1","","Almeida, José; Aguiar, António; Leite, Andreia; Silva, André M. N.; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Barone, Giampaolo; Tomé, Augusto C.; Silva, Ana M. G.","1,3-Dipolar cycloadditions with meso-tetraarylchlorins ‒ site selectivity and mixed bisadducts","Organic Chemistry Frontiers","2017","4","4","534","","10.1039/C6QO00771F","","","0.71073","MoKα","","0.1877","0.1387","","","0.4059","0.434","","","","","","1.614","","","","has coordinates","235216","2020-10-21","18:00:00",""
"1553622","15.6516","0.0005","14.7041","0.0004","20.8303","0.0006","90","","90","","90","","4793.9","0.2","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N4 O2 Si -","- C23 H30 N4 O2 Si -","- C184 H240 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.048","0.0389","","0.1007","0.0942","0.1005","","","","","","1.0233","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553623","9.4684","0.0003","10.4692","0.0004","12.771","0.0004","96.2634","0.0012","95.7478","0.0012","113.644","0.0011","1138.27","0.07","180","","180","","","","101","","","","","5","P -1","-P 1","2","","","","- C20 H21 N5 O2 Si -","- C20 H21 N5 O2 Si -","- C40 H42 N10 O4 Si2 -","2","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0524","0.0469","","0.1317","0.1269","0.1317","","","","","","1.0042","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553624","16.2913","0.0007","10.0932","0.0004","19.7897","0.0008","90","","112.895","0.0012","90","","2997.7","0.2","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br3 N3 -","- C14 H8 Br3 N3 -","- C112 H64 Br24 N24 -","8","2","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.0659","0.0374","","0.0956","0.0746","0.0956","","","","","","0.9177","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553625","8.9462","0.0005","11.9145","0.0006","43.549","0.002","90","","90","","90","","4641.9","0.4","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N4 O2 Si -","- C21 H34 N4 O2 Si -","- C168 H272 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0668","0.0577","","0.1162","0.1136","0.1162","","","","","","0.9617","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553626","11.9761","0.0003","15.4866","0.0004","11.0055","0.0003","90","","106.167","0.001","90","","1960.46","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O4 -","- C25 H20 O4 -","- C100 H80 O16 -","4","1","","Mao, Wenbin; Zhu, Chen","Efficient synthesis of multiply substituted butenolides from keto acids and terminal alkynes promoted by combined acids","Organic Chemistry Frontiers","2017","4","6","1029","","10.1039/C6QO00820H","","","0.71073","MoKα","","0.0815","0.0435","","","0.1177","0.1338","","","","","","1.066","","","","has coordinates","235220","2020-10-21","18:00:00",""
"1553627","8.8576","0.0007","9.515","0.0007","15.8743","0.0012","79.571","0.002","74.479","0.002","86.413","0.002","1267.66","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H18 Fe O4 -","- C35 H18 Fe O4 -","- C70 H36 Fe2 O8 -","2","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.0571","0.0504","","","0.1402","0.1485","","","","","","1.058","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553628","12.737","0.003","10.827","0.003","15.738","0.004","90","","105.708","0.006","90","","2089.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 O -","- C32 H18 O -","- C128 H72 O4 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.1793","0.0997","","","0.2401","0.2908","","","","","","1.04","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553629","10.5417","0.0004","14.8356","0.0005","24.1274","0.0008","90","","90","","90","","3773.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H29 Cl3 O4 -","- C51 H29 Cl3 O4 -","- C204 H116 Cl12 O16 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","1.54178","CuKα","","0.0909","0.0536","","","0.1126","0.131","","","","","","1.023","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553630","12.3541","0.0003","20.5251","0.0006","15.593","0.0004","90","","111.562","0.0016","90","","3677.21","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Cl2 O -","- C51 H30 Cl2 O -","- C204 H120 Cl8 O4 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.1194","0.0675","","","0.1717","0.2047","","","","","","1.017","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553631","12.2233","0.0002","20.4397","0.0003","15.612","0.0002","90","","111.759","0.0009","90","","3622.59","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Cl2 -","- C51 H30 Cl2 -","- C204 H120 Cl8 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.0755","0.0569","","","0.1481","0.165","","","","","","1.007","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553632","8.8208","0.0003","12.857","0.0004","18.1141","0.0005","90","","90","","90","","2054.3","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O5 S -","- C20 H19 Br N2 O5 S -","- C80 H76 Br4 N8 O20 S4 -","4","1","","Yu, Lu; Cheng, Yuyu; Qi, Fei; Li, Rou; Li, Pengfei","Organocatalytic regioselective, diastereoselective, and enantioselective annulation of cyclic 1-azadienes with γ-nitro ketones via 3,4-cyclization","Organic Chemistry Frontiers","2017","4","7","1336","","10.1039/C6QO00832A","","","0.71073","MoKα","","0.1259","0.0514","","","0.0608","0.0689","","","","","","0.994","","","","has coordinates","235224","2020-10-21","18:00:00",""
"1553633","5.768","0.002","9.924","0.004","20.463","0.007","100.063","0.004","91.086","0.004","92.46","0.004","1151.8","0.7","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H25 N3 -","- C29 H25 N3 -","- C58 H50 N6 -","2","1","","Zhao, Fen; Liu, Yaowen; Yang, Shu; Xie, Kai; Jiang, Yubo","Pd-catalyzed selective N(3)-ortho C‒H arylation of 1,4-disubstituted 1,2,3-triazoles","Organic Chemistry Frontiers","2017","4","6","1112","","10.1039/C6QO00834H","","","0.71073","MoKα","","0.0692","0.0457","","","0.1142","0.129","","","","","","1.025","","","","has coordinates,has disorder","235226","2020-10-21","18:00:00",""
"1553634","16.003","0.005","7.036","0.002","16.456","0.005","90","","101.876","0.004","90","","1813.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Br2 N O2 -","- C21 H15 Br2 N O2 -","- C84 H60 Br8 N4 O8 -","4","1","","Qiu, Guanyinsheng; Li, Yuewen; Ma, Lele; Zhou, Hongwei","KBr/K2S2O8-mediated dibromohydration of N-(2-alkynylaryl)acetamide","Organic Chemistry Frontiers","2017","4","6","1069","","10.1039/C6QO00840B","","","0.71073","MoKα","","0.0404","0.0328","","","0.0954","0.0996","","","","","","1.069","","","","has coordinates","235228","2020-10-21","18:00:00",""
"1553635","15.552","0.005","9.109","0.003","20","0.006","90","","111.508","0.005","90","","2636","1.5","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 N O3 -","- C33 H31 N O3 -","- C132 H124 N4 O12 -","4","1","","Liu, Feng; Tian, Jiaxin; Liu, Yong; Tao, Chuangan; Zhu, Hao; Zhang, Aina; Xu, Dongfang; Zhao, Baoguo","Decarboxylative Umpolung of conjugated enals to β-carbanions for intramolecular nucleophilic addition to an aldehyde","Organic Chemistry Frontiers","2017","4","8","1586","","10.1039/C6QO00846A","","","0.71073","MoKα","","0.1011","0.0555","","","0.1276","0.1513","","","","","","0.997","","","","has coordinates","235230","2020-10-21","18:00:00",""
"1553636","7.7445","0.0012","13.971","0.002","19.15","0.003","90","","90","","90","","2072","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R,4'R)-4'-benzoyl-1-methyl-3'-phenyl-5'-thioxospiro[indoline-3,2'-pyrrolidin]-2-one","","- C25 H20 N2 O2 S -","- C25 H20 N2 O2 S -","- C100 H80 N8 O8 S4 -","4","1","","Lin, Ye; Liu, Lei; Du, Da-Ming","Squaramide-catalyzed asymmetric Michael/cyclization cascade reaction of 3-isothiocyanato oxindoles with chalcones for synthesis of pyrrolidinyl spirooxindoles","Organic Chemistry Frontiers","2017","4","7","1229","","10.1039/C6QO00852F","","","0.71073","MoKα","","0.0394","0.0361","","","0.0806","0.0827","","","","","","1.001","","","","has coordinates","235233","2020-10-21","18:00:00",""
"1553637","8.4855","0.0004","15.887","0.0007","25.5299","0.0013","90","","90","","90","","3441.7","0.3","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C128 H168 N24 O40 -","8","2","","Deng, Tao; Thota, Ganesh Kumar; Li, Yi; Kang, Qiang","Enantioselective conjugate addition of hydroxylamines to α,β-unsaturated 2-acyl imidazoles catalyzed by a chiral-at-metal Rh(iii) complex","Organic Chemistry Frontiers","2017","4","4","573","","10.1039/C6QO00865H","","","1.54184","CuKα","","0.0489","0.0384","","","0.0804","0.0857","","","","","","1.003","","","","has coordinates","235235","2020-10-21","18:00:00",""
"1553638","11.882","0.002","6.1567","0.0013","22.083","0.004","90","","99.617","0.015","90","","1592.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 O4 -","- C36 H40 N2 O4 -","- C72 H80 N4 O8 -","2","0.5","","Purc, Anna; Koszarna, Beata; Iachina, Irina; Friese, Daniel H.; Tasior, Mariusz; Sobczyk, Krzysztof; Pędziński, Tomasz; Brewer, Jonathan; Gryko, Daniel T.","The impact of interplay between electronic and steric effects on the synthesis and the linear and non-linear optical properties of diketopyrrolopyrrole bearing benzofuran moieties","Organic Chemistry Frontiers","2017","4","5","724","","10.1039/C6QO00869K","","","1.54178","CuKα","","0.1821","0.0736","","","0.1614","0.1933","","","","","","0.938","","","","has coordinates","235236","2020-10-21","18:00:00",""
"1553639","20.477","0.0009","5.2589","0.0002","28.0402","0.0012","90","","101.007","0.0019","90","","2964","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O2 S3 -","- C32.4 H37.76 N2 O2 S2.908 -","- C129.6 H151.04 N8 O8 S11.632 -","4","1","","Chen, Wangqiao; Nakano, Masahiro; Takimiya, Kazuo; Zhang, Qichun","Selective thionation of naphtho[2,3-b]thiophene diimide: tuning of the optoelectronic properties and packing structure","Organic Chemistry Frontiers","2017","4","5","704","","10.1039/C6QO00871B","","","1.54187","CuKα","","0.1155","0.0889","","","0.2224","0.2399","","","","","","1.277","","","","has coordinates,has disorder","235238","2020-10-21","18:00:00",""
"1553643","29.3374","0.0007","29.3374","0.0007","29.3374","0.0007","90","","90","","90","","25250.2","1","100","","100.05","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 Fe N6 -","- C27 H33 B2 F10.9999 Fe N6 -","- C864 H1056 B64 F351.997 Fe32 N192 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","x-ray","0.71073","MoKα","","0.0572","0.0486","","","0.1456","0.1548","","","","","","1.049","","","","has coordinates","235361","2020-10-21","18:00:00",""
"1553644","11.4603","0.0007","14.9231","0.0008","18.6992","0.0011","110.254","0.003","106.434","0.003","91.133","0.003","2853","0.3","100","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31.5 B2 F10 Fe N6.5 -","- C26 H31.5 B2 F10 Fe N6.5 -","- C104 H126 B8 F40 Fe4 N26 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0527","0.0448","","","0.1107","0.1153","","","","","","1.059","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553645","13.6092","0.0004","14.5112","0.0004","14.1222","0.0004","90","","90.875","0.001","90","","2788.61","0.14","100","","99.87","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C25 H30 B2 F10 N6 Zn -","- C24.9995 H29.9985 B2 F10.0005 N6 Zn -","- C99.998 H119.994 B8 F40.002 N24 Zn4 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0511","0.0429","","","0.1042","0.1088","","","","","","1.025","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553646","16.8376","0.0005","16.8376","0.0005","7.8829","0.0003","90","","90","","120","","1935.43","0.11","100","","100.08","","","","","","","","","6","P 3","P 3","143","","","","- C24 H27 B2 F11 Fe N6 -","- C24 H27 B2 F11 Fe N6 -","- C72 H81 B6 F33 Fe3 N18 -","3","1","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0375","0.0365","","","0.0948","0.0958","","","","","","1.026","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553647","29.282","0.0008","29.282","0.0008","29.282","0.0008","90","","90","","90","","25107.4","1.2","100","","100.08","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 N6 Zn -","- C27 H33 B2 F10.9999 N6 Zn -","- C864 H1056 B64 F351.997 N192 Zn32 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0382","0.0355","","","0.1002","0.103","","","","","","1.073","","","","has coordinates","235370","2020-10-21","18:00:00",""
"1553648","7.0187","0.0004","7.0187","","7.5098","0.0005","90","","90","","90","","369.95","0.03","298","","298","","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si Xe0.34 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.05565","","4.07","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553649","7.00122","0.00019","7.00122","","7.49794","0.00021","90","","90","","90","","367.527","0.014","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.03824","","4.12","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553650","6.99732","0.00024","6.99732","","7.49177","0.00027","90","","90","","90","","366.816","0.018","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.04738","","3.5","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553651","7.1831","0.0011","7.1831","0.0011","7.5839","0.0012","90","","90","","90","","391.31","0.1","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Fe","SIFSIX-3-Fe","","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","","","0.71073","MoKα","","0.0596","0.048","","","0.1543","0.1717","","","","","","1.24","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553652","7.7618","0.0005","14.0412","0.0008","13.1959","0.0008","90","","92.959","0.006","90","","1436.24","0.15","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methylpyridinium iodobismuthate","","- C6 H8 Bi I4 N -","- C6 H8 Bi I4 N -","- C24 H32 Bi4 I16 N4 -","4","1","","Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil","Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications","Sustainable Energy & Fuels","2017","1","2","308","","10.1039/C6SE00061D","","x-ray","0.71073","MoKα","","0.0659","0.0427","","","0.075","0.0784","","","","","","0.924","","","","has coordinates","235375","2020-10-21","18:00:00",""
"1553653","12.6997","0.0003","28.3198","0.0006","7.716","0.0002","90","","95.288","0.001","90","","2763.27","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridinium iodobismuthate","","- C5 H6 Bi I4 N -","- C5 H6 Bi I4 N -","- C40 H48 Bi8 I32 N8 -","8","2","","Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil","Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications","Sustainable Energy & Fuels","2017","1","2","308","","10.1039/C6SE00061D","","","0.71073","MoKα","","0.0859","0.0634","","","0.165","0.1785","","","","","","1.102","","","","has coordinates","235375","2020-10-21","18:00:00",""
"1553654","15.6598","0.0011","15.6598","0.0011","34.08","0.002","90","","90","","120","","7237.7","0.8","298","2","298","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C42 H42 I2 N2 -","- C42 H42 I2 N2 -","- C252 H252 I12 N12 -","6","0.5","","Samanta, Soham; Halder, Senjuti; Dey, Poulomi; Manna, Utsab; Ramesh, Aiyagari; Das, Gopal","A ratiometric fluorogenic probe for the real-time detection of SO<sub>3</sub><sup>2-</sup> in aqueous medium: application in a cellulose paper based device and potential to sense SO<sub>3</sub><sup>2-</sup> in mitochondria.","The Analyst","2017","143","1","250","257","10.1039/c7an01368j","","","0.71073","MoKα","","0.1956","0.1231","","","0.3163","0.3489","","","","","","0.999","","","","has coordinates","235580","2020-10-21","18:00:00",""
"1553662","16.2355","0.0011","14.4863","0.0009","17.7924","0.0011","90","","106.064","0.004","90","","4021.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3b","","- C46 H38 N6 O4 S2 -","- C46 H38 N6 O4 S2 -","- C184 H152 N24 O16 S8 -","4","1","","Zhao, Xueqian; Ge, Congwu; Yang, Xiaodi; Gao, Xike","Dithieno[3,2-a:3′,2′-j][5,6,11,12]chrysene diimides and their molecular energy level regulation","Materials Chemistry Frontiers","2017","1","8","1635","","10.1039/C7QM00030H","","","1.54178","CuKα","","0.1051","0.0729","","","0.1869","0.213","","","","","","1.023","","","","has coordinates","235873","2020-10-21","18:00:00",""
"1553663","5.641","0.003","9.315","0.007","19.216","0.009","90","","103.97","0.02","90","","979.9","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 S2 -","- C26 H18 S2 -","- C52 H36 S4 -","2","0.5","","Zhang, Jibo; Ma, Suqian; Fang, Honghua; Xu, Bin; Sun, Hongbo; Chan, Im; Tian, Wenjing","Insights into the origin of aggregation enhanced emission of 9,10-distyrylanthracene derivatives","Materials Chemistry Frontiers","2017","1","7","1422","","10.1039/C7QM00032D","","","0.71073","MoKα","","0.0684","0.053","","","0.1571","0.1675","","","","","","1.086","","","","has coordinates","235875","2020-10-21","18:00:00",""
"1553664","6.418","0.003","8.632","0.004","14.198","0.006","74.951","0.006","81.658","0.007","86.211","0.007","751.2","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 B F2 N2 -","- C19 H15 B F2 N2 -","- C38 H30 B2 F4 N4 -","2","1","","Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes","Materials Chemistry Frontiers","2017","1","8","1573","","10.1039/C7QM00076F","","","0.71075","MoKα","","0.0713","0.0596","","","0.1541","0.1623","","","","","","1.036","","","","has coordinates","235876","2020-10-21","18:00:00",""
"1553665","9.2376","0.0008","11.5433","0.0011","13.4497","0.0011","90","","98.264","0.007","90","","1419.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F2 N2 -","- C19 H13 B F2 N2 -","- C76 H52 B4 F8 N8 -","4","1","","Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes","Materials Chemistry Frontiers","2017","1","8","1573","","10.1039/C7QM00076F","","","0.71075","MoKα","","0.0627","0.049","","","0.1448","0.172","","","","","","1.087","","","","has coordinates","235876","2020-10-21","18:00:00",""
"1553666","10.2226","0.001","10.3008","0.001","12.2126","0.0012","74.477","0.005","67.707","0.005","71.185","0.005","1110.69","0.19","190","2","190.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Hg I2 N2 S2 -","- C20 H14 Hg I2 N2 S2 -","- C40 H28 Hg2 I4 N4 S4 -","2","1","","Gabr, Moustafa T.; Christopher Pigge, F.","A turn-on AIE active fluorescent sensor for Hg2+ by combination of 1,1-bis(2-pyridyl)ethylene and thiophene/bithiophene fragments","Materials Chemistry Frontiers","2017","1","8","1654","","10.1039/C7QM00085E","","","0.71073","MoKα","","0.0275","0.0211","","","0.0429","0.0478","","","","","","1.155","","","","has coordinates,has disorder","235878","2020-10-21","18:00:00",""
"1553667","14.7047","0.0004","14.7047","0.0004","23.9058","0.0008","90","","90","","120","","4476.6","0.2","103","4","103","4","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H16 Cl4 N4 O2 -","- C18 H15.784 Cl4 N2.66667 O2 -","- C162 H142.056 Cl36 N24 O18 -","9","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0705","0.07","","","0.1908","0.1915","","","","","","1.074","","","","has coordinates,has disorder","235880","2020-10-21","18:00:00",""
"1553668","9.8325","0.001","11.2257","0.001","22.882","0.002","90","","98.783","0.009","90","","2496","0.4","292.76","0.15","292.76","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C108 H120 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","0.71073","MoKα","","0.1107","0.0795","","","0.1734","0.2045","","","","","","1.091","","","","has coordinates","235880","2020-10-21","18:00:00",""
"1553669","14.4761","0.0005","14.4761","0.0005","40.5191","0.0019","90","","90","","120","","7353.5","0.5","294.37","0.1","294.37","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H18 F2 N2.67 O2 -","- C18 H18 F2 N2.66667 O2 -","- C324 H324 F36 N48 O36 -","18","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0755","0.0681","","","0.168","0.179","","","","","","1.064","","","","has coordinates","235880","2020-10-21","18:00:00",""
"1553670","6.29545","0.00012","15.9502","0.0004","28.8235","0.0007","90","","90","","90","","2894.27","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N4 O6 -","- C30 H34 N4 O6 -","- C120 H136 N16 O24 -","4","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0621","0.0576","","","0.1545","0.164","","","","","","1.028","","","","has coordinates,has disorder","235880","2020-10-21","18:00:00",""
"1553671","12.9272","0.0004","13.0256","0.0004","23.4928","0.0006","82.005","0.002","79.707","0.002","86.311","0.002","3851.2","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 N4 O3 -","- C39 H54 N4 O3 -","- C156 H216 N16 O12 -","4","2","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0882","0.0752","","","0.2199","0.2383","","","","","","1.038","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553672","15.43","0.02","10.791","0.017","10.129","0.015","90","","101.94","0.03","90","","1650","4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4-(azepan-1-yl)phenyl)-3-hydroxy-3-phenylprop-2-en-1-one","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Wang, Fang; DeRosa, Christopher A.; Daly, Margaret L.; Song, Daniel; Fraser, Cassandra L.","Multi-stimuli responsive luminescent azepane-substituted β-diketones and difluoroboron complexes.","Materials chemistry frontiers","2017","1","9","1866","1874","10.1039/C7QM00137A","","","0.71073","MoKα","","0.1515","0.0536","","","0.1383","0.2092","","","","","","0.977","","","","has coordinates","235882","2020-10-21","18:00:00",""
"1553673","9.4456","0.0006","9.9577","0.0006","16.2906","0.001","102.183","0.005","93.914","0.005","93.086","0.005","1490.57","0.16","170.2","","170.2","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.1104","0.0844","","","0.1748","0.1896","","","","","","1.11","","","","has coordinates,has disorder","235884","2020-10-21","18:00:00",""
"1553674","9.4088","0.0007","11.452","0.0008","15.1598","0.0009","90.309","0.005","105.929","0.006","93.468","0.006","1567.45","0.19","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.0904","0.0502","","","0.1029","0.1273","","","","","","1.04","","","","has coordinates","235884","2020-10-21","18:00:00",""
"1553675","18.2932","0.001","19.3313","0.0009","9.1613","0.0006","90","","103.67","0.006","90","","3148","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C168 H116 N4 O8 -","4","1","","Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang","Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence","Materials Chemistry Frontiers","2017","1","9","1858","","10.1039/C7QM00145B","","","0.71073","MoKα","","0.1067","0.0593","","","0.139","0.1674","","","","","","1.024","","","","has coordinates","235884","2020-10-21","18:00:00",""
"1553676","9.102","0.003","14.511","0.004","17.16","0.005","66.114","0.003","88.537","0.004","80.515","0.004","2041.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H43 Cu2 I2 N5 O2 S3 -","- C37 H43 Cu2 I2 N5 O2 S3 -","- C74 H86 Cu4 I4 N10 O4 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0568","0.0411","","","0.0964","0.105","","","","","","1.026","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553677","9.4203","0.0006","14.3226","0.0009","17.3309","0.0012","65.977","0.003","77.856","0.003","79.467","0.003","2075.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H27 Cu2 I2 N3 O S3 -","- C34 H27 Cu2 I2 N3 O1.01 S3 -","- C68 H54 Cu4 I4 N6 O2.02 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","1.54184","CuKα","","0.0892","0.0688","","","0.2128","0.2592","","","","","","1.059","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553678","9.174","0.006","14.442","0.01","17.023","0.011","113.404","0.008","90.013","0.008","99.203","0.008","2038","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Cu2 I2 N4 O S3 -","- C30 H34 Cu2 I2 N4 O S3 -","- C60 H68 Cu4 I4 N8 O2 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0977","0.0643","","","0.1914","0.2156","","","","","","1.053","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553679","8.962","0.003","14.515","0.004","16.577","0.005","112.653","0.003","91.205","0.004","98.338","0.003","1962","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cu2 I2 N5 S3 -","- C31 H33 Cu2 I2 N5 S3 -","- C62 H66 Cu4 I4 N10 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.0657","0.0474","","","0.1371","0.149","","","","","","1.025","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553680","9.353","0.006","14.189","0.009","17.257","0.01","113.336","0.007","94.402","0.007","100.137","0.007","2043","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39 Cu2 I2 N3 O2 S5 -","- C31 H39 Cu2 I2 N3 O2 S5 -","- C62 H78 Cu4 I4 N6 O4 S10 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.1182","0.0655","","","0.1788","0.2093","","","","","","1.062","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553681","9.252","0.004","14.347","0.007","17.158","0.008","113.914","0.006","91.45","0.006","99.705","0.005","2041.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H45 Cu2 I2 N5 O2 S3 -","- C35 H42 Cu2 I2 N5 O2 S3 -","- C70 H84 Cu4 I4 N10 O4 S6 -","2","1","","Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai","A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules","Materials Chemistry Frontiers","2017","1","9","1764","","10.1039/C7QM00152E","","","0.71073","MoKα","","0.1014","0.0625","","","0.1806","0.2102","","","","","","1.078","","","","has coordinates","235887","2020-10-21","18:00:00",""
"1553682","6.1493","0.0013","12.443","0.003","19.762","0.004","90","","90","","90","","1512.1","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C68 H64 I4 N4 O8 -","4","1","","Butler, Tristan; Wang, Fang; Sabat, Michal; Fraser, Cassandra L.","Controlling solid-state optical properties of stimuli responsive dimethylamino-substituted dibenzoylmethane materials","Materials Chemistry Frontiers","2017","1","9","1804","","10.1039/C7QM00157F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0426","0.0427","","","","","","1.827","","","","has coordinates","235889","2020-10-21","18:00:00",""
"1553683","12.8501","0.0018","12.8501","0.0018","15.709","0.003","90","","90","","120","","2246.4","0.6","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C9 H4 N2 O4 Y0.33 -","- C9 H4 N2 O4 Y0.333333 -","- C54 H24 N12 O24 Y2 -","6","1","","Liu, Kang; Li, Xu; Ma, Dingxuan; Han, Yi; Li, Baiyan; Shi, Zhan; Li, Zhenjiang; Wang, Lei","A microporous yttrium metal‒organic framework of an unusual nia topology for high adsorption selectivity of C2H2and CO2over CH4at room temperature","Materials Chemistry Frontiers","2017","1","10","1982","","10.1039/C7QM00164A","","","0.71073","MoKα","","0.0345","0.0325","","","0.089","0.0897","","","","","","1.084","","","","has coordinates","235890","2020-10-21","18:00:00",""
"1553684","8.3884","0.0008","8.4668","0.0005","14.2802","0.0012","95.006","0.006","94.479","0.007","113.925","0.007","916.34","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N3 Ni0.5 -","- C22 H24 N3 Ni0.5 -","- C44 H48 N6 Ni -","2","1","","Yoshida, Takuya; Shinokubo, Hiroshi","Direct amination of the antiaromatic NiII norcorrole","Materials Chemistry Frontiers","2017","1","9","1853","","10.1039/C7QM00176B","","","0.71073","MoKα","","0.0521","0.046","","","0.1147","0.1197","","","","","","1.058","","","","has coordinates","235892","2020-10-21","18:00:00",""
"1553685","24.2035","0.0013","9.4392","0.0005","24.306","0.0015","90","","109.203","0.002","90","","5244","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 N2 O3 -","- C37 H24 N2 O3 -","- C296 H192 N16 O24 -","8","2","","Gan, Shifeng; Zhou, Jian; Smith, Trevor A.; Su, Huifang; Luo, Wenwen; Hong, Yuning; Zhao, Zujin; Tang, Ben Zhong","New AIEgens with delayed fluorescence for fluorescence imaging and fluorescence lifetime imaging of living cells","Materials Chemistry Frontiers","2017","1","12","2554","","10.1039/C7QM00286F","","","0.71073","MoKα","","0.1271","0.0541","","","0.1016","0.1227","","","","","","1.032","","","","has coordinates","235894","2020-10-21","18:00:00",""
"1553686","8.4792","0.0008","29.902","0.002","7.9399","0.0009","90","","117.656","0.013","90","","1783.1","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","1","","Gan, Shifeng; Zhou, Jian; Smith, Trevor A.; Su, Huifang; Luo, Wenwen; Hong, Yuning; Zhao, Zujin; Tang, Ben Zhong","New AIEgens with delayed fluorescence for fluorescence imaging and fluorescence lifetime imaging of living cells","Materials Chemistry Frontiers","2017","1","12","2554","","10.1039/C7QM00286F","","","0.71073","MoKα","","0.0641","0.0423","","","0.0896","0.1005","","","","","","1.028","","","","has coordinates","235894","2020-10-21","18:00:00",""
"1553687","7.3698","0.0002","10.7294","0.0003","27.0518","0.0009","90","","90.5158","0.0009","90","","2138.99","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N3 O2 -","- C29 H23 N3 O2 -","- C116 H92 N12 O8 -","4","1","","Tokuo, Kokichi; Sakai, Hayato; Sakanoue, Tomo; Takenobu, Taishi; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku","Control of the electrochemical and photophysical properties of N-substituted benzo[ghi]perylene derivatives","Materials Chemistry Frontiers","2017","1","11","2299","","10.1039/C7QM00301C","","","0.71075","MoKα","","","0.0666","","","","0.1854","","","","","","1.066","","","","has coordinates","235896","2020-10-21","18:00:00",""
"1553688","18.4455","0.0006","18.4455","0.0006","26.4268","0.0005","90","","90","","120","","7786.7","0.4","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C28 H15 Cu2 O11 -","- C168 H90 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1875","0.1593","","","0.5094","0.5563","","","","","","1.03","","","","has coordinates","235898","2020-10-21","18:00:00",""
"1553689","18.2664","0.0005","18.2664","0.0005","26.5488","0.0006","90","","90","","120","","7671.5","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28.5 H11 Cu2 O11 -","- C171 H66 Cu12 O66 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54178","CuKα","","0.1928","0.151","","","0.4674","0.4955","","","","","","1.643","","","","has coordinates,has disorder","235898","2020-10-21","18:00:00",""
"1553690","18.315","0.0007","18.315","0.0007","26.7665","0.0014","90","","90","","120","","7775.6","0.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H48 Cu2 N4 O16 -","- C26 H12 Cu2 O10 -","- C156 H72 Cu12 O60 -","6","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing","A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption","Materials Chemistry Frontiers","2017","1","11","2283","","10.1039/C7QM00302A","","","1.54184","CuKα","","0.1969","0.1205","","","0.3686","0.4127","","","","","","1.103","","","","has coordinates","235898","2020-10-21","18:00:00",""
"1553691","14.768","0.016","15.377","0.017","16.689","0.018","90","","90","","90","","3790","7","296","2","296","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","ZZ-HPB-CN","","- C48 H30 N4 -","- C48 H30 N4 -","- C192 H120 N16 -","4","0.5","","Zhang, Yahui; Kong, Lingwei; Mao, Huiling; Pan, Xiaoling; Shi, Jianbing; Tong, Bin; Dong, Yuping","Light/temperature-enhanced emission characteristics of malononitrile-containing hexaphenyl-1,3-butadiene derivatives: the hotter, the brighter","Materials Chemistry Frontiers","2017","1","12","2569","","10.1039/C7QM00304H","","","0.71073","MoKα","","0.1352","0.0576","","","0.1442","0.1904","","","","","","0.943","","","","has coordinates,has disorder","235901","2020-10-21","18:00:00",""
"1553692","10.3419","0.0012","16.4056","0.0015","20.936","0.002","90","","100.537","0.011","90","","3492.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H20 B0.5 -","- C23.5 H20 B0.5 -","- C188 H160 B4 -","8","1","","Chi, Weijie; Yin, Wenting; Qi, Qingkai; Qiao, Qinglong; Lin, Yuyan; Zhu, Zhuohui; Vijayan, Sindhu; Hashimoto, Michinao; Udayakumar, Gayathri; Xu, Zhaochao; Liu, Xiaogang","Ground-state conformers enable bright single-fluorophore ratiometric thermometers with positive temperature coefficients","Materials Chemistry Frontiers","2017","1","11","2383","","10.1039/C7QM00345E","","","0.7107","MoKα","","0.1682","0.0829","","","0.2097","0.2768","","","","","","1.027","","","","has coordinates","235903","2020-10-21","18:00:00",""
"1553693","7.9955","0.0014","11.139","0.002","14.735","0.003","87.095","0.006","78.445","0.006","81.208","0.006","1270.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 B Br2 N -","- C29 H34 B Br2 N -","- C58 H68 B2 Br4 N2 -","2","1","","Matsumoto, Takuya; Takamine, Hirofumi; Tanaka, Kazuo; Chujo, Yoshiki","Design of bond-cleavage-induced intramolecular charge transfer emission with dibenzoboroles and their application to ratiometric sensors for discriminating chain lengths of alkanes","Materials Chemistry Frontiers","2017","1","11","2368","","10.1039/C7QM00350A","","","0.71075","MoKα","","0.1758","0.084","","","0.1671","0.2049","","","","","","0.96","","","","has coordinates","235905","2020-10-21","18:00:00",""
"1553694","19.61","0.002","15.469","0.002","20.516","0.002","90","","107.135","0.011","90","","5947.2","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 Br2 N O2 -","- C38 H27 Br2 N O2 -","- C304 H216 Br16 N8 O16 -","8","1","","Gopikrishna, Peddaboodi; Raman Adil, Laxmi; Iyer, Parameswar Krishnan","Bridge-driven aggregation control in dibenzofulvene‒naphthalimide based donor‒bridge‒acceptor systems: enabling fluorescence enhancement, blue to red emission and solvatochromism","Materials Chemistry Frontiers","2017","1","12","2590","","10.1039/C7QM00357A","","","0.71073","MoKα","","0.1421","0.0436","","","0.1186","0.187","","","","","","0.985","","","","has coordinates","235907","2020-10-21","18:00:00",""
"1553695","11.2762","0.0006","13.9376","0.0008","17.8045","0.0011","90","","101.143","0.004","90","","2745.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Gopikrishna, Peddaboodi; Raman Adil, Laxmi; Iyer, Parameswar Krishnan","Bridge-driven aggregation control in dibenzofulvene‒naphthalimide based donor‒bridge‒acceptor systems: enabling fluorescence enhancement, blue to red emission and solvatochromism","Materials Chemistry Frontiers","2017","1","12","2590","","10.1039/C7QM00357A","","","0.71073","MoKα","","0.1213","0.0545","","","0.1472","0.1844","","","","","","0.978","","","","has coordinates","235907","2020-10-21","18:00:00",""
"1553724","10.445","0.002","14.347","0.003","14.407","0.003","82.53","0.03","85.3","0.03","74.55","0.03","2060.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl N2 O0 Ru -","- C22 H23 Cl N2 Ru -","- C88 H92 Cl4 N8 Ru4 -","4","2","","Li, Gang; Lv, Xulu; Guo, Kexiao; Wang, Ya; Yang, Suling; Yu, Liuyang; Yu, Yantang; Wang, Junjie","Ruthenium-catalyzed meta-selective C‒H sulfonation of azoarenes with arylsulfonyl chlorides","Organic Chemistry Frontiers","2017","4","6","1145","","10.1039/C7QO00004A","","","0.71073","MoKα","","0.0817","0.0695","","","0.1802","0.1846","","","","","","1.105","","","","has coordinates","235944","2020-10-21","18:00:00",""
"1553725","34.644","0.007","7.0976","0.0014","13.544","0.003","90","","98.63","0.03","90","","3292.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cl N2 O2 S -","- C18 H13 Cl N2 O2 S -","- C144 H104 Cl8 N16 O16 S8 -","8","1","","Li, Gang; Lv, Xulu; Guo, Kexiao; Wang, Ya; Yang, Suling; Yu, Liuyang; Yu, Yantang; Wang, Junjie","Ruthenium-catalyzed meta-selective C‒H sulfonation of azoarenes with arylsulfonyl chlorides","Organic Chemistry Frontiers","2017","4","6","1145","","10.1039/C7QO00004A","","","0.71073","MoKα","","0.0632","0.0409","","","0.1337","0.1539","","","","","","1.002","","","","has coordinates","235944","2020-10-21","18:00:00",""
"1553726","11.4884","0.0005","11.9792","0.0005","20.8251","0.0008","90","","90","","90","","2866","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O7 -","- C16 H15 N O7 -","- C128 H120 N8 O56 -","8","2","","Wang, Junliang; Li, Jianneng; Shen, Xianwang; Dong, Cong; Lin, Jun; Wei, Kun","Asymmetric total synthesis of (−)-δ-lycorane","Organic Chemistry Frontiers","2017","4","6","1149","","10.1039/C7QO00021A","","","1.54178","CuKα","","0.0535","0.0527","","","0.1534","0.1545","","","","","","1.034","","","","has coordinates","235946","2020-10-21","18:00:00",""
"1553727","13.8813","0.0006","14.4392","0.0007","23.5317","0.0011","95.8618","0.0012","105.365","0.0012","91.4814","0.0011","4517.3","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H46 N4.5 -","- C60 H46 N4.5 -","- C240 H184 N18 -","4","2","","Kimura, Yosuke; Kawajiri, Ikumi; Ueki, Masanori; Morimoto, Takayuki; Nishida, Jun-ichi; Ikeda, Hiroshi; Tanaka, Mirai; Kawase, Takeshi","A new fluorophore displaying remarkable solvatofluorochromism and solid-state light emission, and serving as a turn-on fluorescent sensor for cyanide ions","Organic Chemistry Frontiers","2017","4","5","743","","10.1039/C7QO00029D","","","0.71075","MoKα","","0.2091","0.0714","","","0.1685","0.2407","","","","","","0.938","","","","has coordinates,has disorder","274176","2022-03-31","10:10:26",""
"1553728","11.5","0.004","10.46","0.004","11.413","0.005","90","","95.06","0.008","90","","1367.5","0.9","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H16 F3 N O2 S2 -","- C11 H16 F3 N O2 S2 -","- C44 H64 F12 N4 O8 S8 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0455","0.0404","","","0.0934","0.0982","","","","","","1.108","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553729","6.6977","0.0005","8.1914","0.0006","30.513","0.002","90","","90","","90","","1674.1","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 F4 O2 S -","- C19 H10 F4 O2 S -","- C76 H40 F16 O8 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0353","0.0334","","","0.0865","0.0875","","","","","","1.067","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553730","7.5426","0.0006","13.2312","0.001","15.9887","0.0013","90","","90","","90","","1595.6","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 O5 S -","- C15 H15 F3 O5 S -","- C60 H60 F12 O20 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0307","0.0273","","","0.07","0.0719","","","","","","1.033","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553731","8.5502","0.0008","11.0835","0.0011","16.8212","0.0016","90","","90","","90","","1594.1","0.3","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 F3 N2 O S -","- C17 H11 F3 N2 O S -","- C68 H44 F12 N8 O4 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0471","0.0397","","","0.0975","0.1022","","","","","","1.036","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553732","7.7869","0.0006","10.8732","0.0008","8.8809","0.0007","90","","95.062","0.001","90","","749","0.1","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl2 F3 N O2 S2 -","- C11 H14 Cl2 F3 N O2 S2 -","- C22 H28 Cl4 F6 N2 O4 S4 -","2","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0292","0.0285","","","0.072","0.0725","","","","","","1.035","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553733","12.4266","0.0017","8.8229","0.0012","15.107","0.002","90","","105.7","0.003","90","","1594.5","0.4","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H20 F3 N O4 S2 -","- C13 H20 F3 N O4 S2 -","- C52 H80 F12 N4 O16 S8 -","4","2","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0445","0.0379","","","0.0862","0.0904","","","","","","1.033","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553734","15.566","0.002","15.831","0.0016","17.7553","0.0019","80.813","0.006","89.907","0.011","88.251","0.009","4317.2","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H110 N4 Ni P Pt0.5 -","- C101 H110 N4 Ni P Pt0.5 -","- C202 H220 N8 Ni2 P2 Pt -","2","1","","Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro","meso-to-meso PtII-bridged NiII-porphyrin dimers","Organic Chemistry Frontiers","2017","4","5","767","","10.1039/C7QO00093F","","","1.54187","CuKα","","0.0341","0.0313","","","0.0799","0.081","","","","","","1.042","","","","has coordinates,has disorder","235954","2020-10-21","18:00:00",""
"1553735","16.142","0.003","21.227","0.004","22.446","0.004","106.1","0.005","92.132","0.001","93.364","0.006","7365","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C162 H174 Cl10 N8 Ni2 Pt -","- C162 H174 Cl10 N8 Ni2 Pt -","- C324 H348 Cl20 N16 Ni4 Pt2 -","2","1","","Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro","meso-to-meso PtII-bridged NiII-porphyrin dimers","Organic Chemistry Frontiers","2017","4","5","767","","10.1039/C7QO00093F","","","1.54187","CuKα","","0.0683","0.0581","","","0.1606","0.1669","","","","","","1.054","","","","has coordinates,has disorder","235954","2020-10-21","18:00:00",""
"1553736","13.8397","0.0009","24.2642","0.0013","16.7166","0.0013","90","","109.444","0.008","90","","5293.4","0.7","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H38 Br N O8 -","- C76 H38 Br N O8 -","- C304 H152 Br4 N4 O32 -","4","1","","Xu, Dan; Li, Yanbang; Lou, Ning; Gan, Liangbing","Synthesis of homoazafullerene [C59N(CH2)]R and azahomoazafullerene [C59N(NH)]R","Organic Chemistry Frontiers","2017","4","5","750","","10.1039/C7QO00098G","","","0.71073","MoKα","","0.1521","0.0699","","","0.1429","0.1714","","","","","","0.921","","","","has coordinates","235956","2020-10-21","18:00:00",""
"1553737","21.489","0.004","10.179","0.002","22.215","0.004","90","","90","","90","","4859.2","1.6","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C76 H39 N O9 -","- C76 H39 N O9 -","- C304 H156 N4 O36 -","4","1","","Xu, Dan; Li, Yanbang; Lou, Ning; Gan, Liangbing","Synthesis of homoazafullerene [C59N(CH2)]R and azahomoazafullerene [C59N(NH)]R","Organic Chemistry Frontiers","2017","4","5","750","","10.1039/C7QO00098G","","","0.71073","MoKα","","0.0804","0.0656","","","0.1822","0.1998","","","","","","1.054","","","","has coordinates,has disorder","235956","2020-10-21","18:00:00",""
"1553738","17.5147","0.001","7.024","0.003","15.73","0.009","90","","114.033","0.006","90","","1767.4","1.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-(4-bromophenyl)-5-methylene-2-oxooxazolidin-4-yl)-4-methylbenzenesulfonamide","","- C17 H13 Br N2 O4 S -","- C17 H13 Br N2 O4 S -","- C68 H52 Br4 N8 O16 S4 -","4","1","","Pal, Kuntal; Volla, Chandra M. R.","Rhodium-catalyzed denitrogenative transannulation of 1,2,3-triazolyl-carbamates: efficient access to 4-aminooxazolidinones","Organic Chemistry Frontiers","2017","4","7","1380","","10.1039/C7QO00101K","","","0.7107","MoKα","","0.0547","0.0451","","","0.0991","0.1046","","","","","","1.091","","","","has coordinates","235958","2020-10-21","18:00:00",""
"1553739","25.513","0.013","13.881","0.008","6.794","0.004","90","","90","","90","","2406","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-fluoro-2-phenyl-1H-indole-1-carbonitrile","","- C15 H9 F N2 -","- C15 H9 F N2 -","- C120 H72 F8 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.1134","","","","0.3222","","","","","","1.049","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553740","25.555","0.002","14.1257","0.0011","6.8724","0.0006","90","","90","","90","","2480.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-1H-indole-1-carbonitrile","","- C16 H13 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.0467","","","","0.1541","","","","","","0.92","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553741","28.543","0.006","7.309","0.0015","16.361","0.003","90","","105.04","0.03","90","","3296.3","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","1","","Chang, Wenju; Dai, Jie; Li, Jingfu; Shi, Yuan; Ren, Wenlong; Shi, Yian","A facile approach to ketones via Pd-catalyzed sequential carbonylation of olefins with formic acid","Organic Chemistry Frontiers","2017","4","6","1074","","10.1039/C7QO00111H","","","0.71073","MoKα","","0.1583","0.0639","","","0.1064","0.1411","","","","","","1.002","","","","has coordinates","235962","2020-10-21","18:00:00",""
"1553742","5.69674","0.00011","8.92923","0.00016","19.6982","0.0005","90","","94.927","0.002","90","","998.3","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N O2 S -","- C22 H16 N2 O4 S2 -","- C44 H32 N4 O8 S4 -","2","0.5","","Ammon, Felix; Sauer, Stephanie Theresia; Lippert, Rainer; Lungerich, Dominik; Reger, David; Hampel, Frank; Jux, Norbert","Unexpected formation of [5]helicenes from hexaarylbenzenes containing pyrrole moieties","Organic Chemistry Frontiers","2017","4","5","861","","10.1039/C7QO00112F","","x-ray","1.54184","CuKα","","0.0465","0.043","","","0.1146","0.1186","","","","","","1.054","","","","has coordinates","235964","2020-10-21","18:00:00",""
"1553743","14.0225","0.0007","15.4902","0.001","15.6494","0.0005","109.303","0.004","105.791","0.004","106.459","0.005","2814.2","0.3","152.7","1","152.7","1","","","","","","","","6","P -1","-P 1","2","","","","- C67.5 H66 Cl3 N O2 S -","- C67.5 H66 Cl3 N O2 S -","- C135 H132 Cl6 N2 O4 S2 -","2","1","","Ammon, Felix; Sauer, Stephanie Theresia; Lippert, Rainer; Lungerich, Dominik; Reger, David; Hampel, Frank; Jux, Norbert","Unexpected formation of [5]helicenes from hexaarylbenzenes containing pyrrole moieties","Organic Chemistry Frontiers","2017","4","5","861","","10.1039/C7QO00112F","","x-ray","1.54184","CuKα","","0.0797","0.0729","","","0.1995","0.2094","","","","","","1.021","","","","has coordinates,has disorder","235964","2020-10-21","18:00:00",""
"1553744","8.2685","0.0016","13.793","0.003","17.645","0.003","72.588","0.003","88.716","0.003","77.009","0.002","1868.8","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H108 Si4 -","- C84 H108 Si4 -","- C84 H108 Si4 -","1","0.5","","Bettinger, Holger F.; Einholz, Ralf; Göttler, Andreas; Junge, Marc; Sättele, Marie-Sophie; Schnepf, Andreas; Schrenk, Claudio; Schundelmeier, Simon; Speiser, Bernd","6,6′,11,11′-Tetra((triisopropylsilyl)ethynyl)-anti-[2.2](1,4)tetracenophane: a covalently coupled tetracene dimer and its structural, electrochemical, and photophysical characterization","Organic Chemistry Frontiers","2017","4","5","853","","10.1039/C7QO00117G","","","0.8","synchrotron","","0.0904","0.0564","","","0.1314","0.1438","","","","","","1.015","","","","has coordinates","235966","2020-10-21","18:00:00",""
"1553745","6.121","0.005","8.835","0.007","13.265","0.012","83.14","0.02","79.6","0.02","72.93","0.02","672.8","1","296","2","296","2","","","","","","","synthesis","5","P -1","-P 1","2","","(E)-6-methyl-N-(1-phenylethylidene)pyridine-2-sulfonamide","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","","Wang, Bin; Xu, Tong; Zhu, Lei; Lan, Yu; Wang, Jingdong; Lu, Ning; Wei, Zhonglin; Lin, Yingjie; Duan, Haifeng","Highly enantioselective nitro-Mannich reaction of ketimines under phase-transfer catalysis","Organic Chemistry Frontiers","2017","4","7","1266","","10.1039/C7QO00124J","","","0.71073","MoKα","","0.0942","0.0655","","","0.1851","0.2162","","","","","","0.967","","","","has coordinates","235968","2020-10-21","18:00:00",""
"1553746","8.6132","0.0015","7.4744","0.0014","12.867","0.003","90","","109.429","0.005","90","","781.2","0.3","296","2","296","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","(R)-6-methyl-N-(1-nitro-2-phenylpropan-2-yl)pyridine-2-sulfonamide","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C30 H34 N6 O8 S2 -","2","1","","Wang, Bin; Xu, Tong; Zhu, Lei; Lan, Yu; Wang, Jingdong; Lu, Ning; Wei, Zhonglin; Lin, Yingjie; Duan, Haifeng","Highly enantioselective nitro-Mannich reaction of ketimines under phase-transfer catalysis","Organic Chemistry Frontiers","2017","4","7","1266","","10.1039/C7QO00124J","","","0.71073","MoKα","","0.0385","0.0352","","","0.0849","0.0874","","","","","","1.047","","","","has coordinates","235968","2020-10-21","18:00:00",""
"1553747","21.7066","0.0008","21.7067","0.0008","20.1949","0.0013","90","","122.509","0.003","90","","8024.4","0.7","213","2","213","2","","","","","","","","2","C 1 c 1","C -2yc","9","","1,4,1',4?-tetramethyl-9,9?-bifluorenylidene","","- C30 H24 -","- C30 H24 -","- C480 H384 -","16","4","","Takai, Atsuro; Freas, Dylan J.; Suzuki, Toshikane; Sugimoto, Manabu; Labuta, Jan; Haruki, Rie; Kumai, Reiji; Adachi, Shin-ichi; Sakai, Hayato; Hasobe, Taku; Matsushita, Yoshitaka; Takeuchi, Masayuki","The effect of a highly twisted CC double bond on the electronic structures of 9,9′-bifluorenylidene derivatives in the ground and excited states","Organic Chemistry Frontiers","2017","4","5","650","","10.1039/C7QO00125H","","","0.71073","MoKα","","0.1838","0.0776","","","0.1578","0.2027","","","","","","0.874","","","","has coordinates","235970","2020-10-21","18:00:00",""
"1553748","7.6834","0.0016","8.0281","0.0017","12.554","0.003","85.471","0.003","73.42","0.003","74.044","0.003","713.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O4 S2 -","- C15 H13 N O4 S2 -","- C30 H26 N2 O8 S4 -","2","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of benzosultams via a radical process with the insertion of sulfur dioxide","Organic Chemistry Frontiers","2017","4","6","1121","","10.1039/C7QO00127D","","","0.71073","MoKα","","0.0534","0.0396","","","0.1348","0.1787","","","","","","1.22","","","","has coordinates","235972","2020-10-21","18:00:00",""
"1553749","8.151","0.01","8.239","0.009","22.94","0.03","90","","100.06","0.02","90","","1517","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O4 S2 -","- C15 H13 N O4 S2 -","- C60 H52 N4 O16 S8 -","4","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of benzosultams via a radical process with the insertion of sulfur dioxide","Organic Chemistry Frontiers","2017","4","6","1121","","10.1039/C7QO00127D","","","0.71073","MoKα","","0.1152","0.0582","","","0.1803","0.2242","","","","","","0.947","","","","has coordinates","235972","2020-10-21","18:00:00",""
"1553750","9.0047","0.0003","9.2247","0.0003","9.4826","0.0003","109.875","0.003","108.593","0.003","107.103","0.003","626.45","0.05","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","1","1","","Guo, Jing; Lin, Zi-Hui; Chen, Kai-Bin; Xie, Ying; Chan, Albert S. C.; Weng, Jiang; Lu, Gui","Asymmetric amination of 2-substituted indolin-3-ones catalyzed by natural cinchona alkaloids","Organic Chemistry Frontiers","2017","4","7","1400","","10.1039/C7QO00129K","","x-ray","1.54184","CuKα","","0.0421","0.0417","","","0.121","0.122","","","","","","1.0608","","","","has coordinates","235974","2020-10-21","18:00:00",""
"1553751","8.9558","0.0013","9.4432","0.0013","13.6247","0.0018","92.926","0.003","95.287","0.004","111","0.003","1066.8","0.3","240","2","240","2","","","","","","","","3","P -1","-P 1","2","10,10""-dioxyl-9,9':10',9""-teranthrylene","","","- C54 H48 O8 -","- C54 H48 O8 -","- C54 H48 O8 -","1","0.5","","Hirao, Yasukazu; Konishi, Akihito; Kubo, Takashi","Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems","Organic Chemistry Frontiers","2017","4","5","828","","10.1039/C7QO00130D","","","0.71075","MoKα","","0.1807","0.076","","","0.1962","0.2698","","","","","","0.968","","","","has coordinates,has disorder","235976","2020-10-21","18:00:00",""
"1553752","11.8673","0.0003","14.8352","0.0003","15.9367","0.0005","90","","102.976","0.0009","90","","2734.08","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,2"",7,7""-tetra-tert-butyl-10,10""-dioxyl-9,9':10',9""-teranthrylene","","","- C66 H72 O6 -","- C66 H68 O6 -","- C132 H136 O12 -","2","0.5","","Hirao, Yasukazu; Konishi, Akihito; Kubo, Takashi","Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems","Organic Chemistry Frontiers","2017","4","5","828","","10.1039/C7QO00130D","","","0.71075","MoKα","","0.0855","0.0637","","","0.1863","0.2067","","","","","","1.103","","","","has coordinates,has disorder","235976","2020-10-21","18:00:00",""
"1553753","23.6823","0.0014","14.1831","0.0008","19.4393","0.001","90","","101.921","0.0017","90","","6388.6","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 O -","- C41 H27 O -","- C328 H216 O8 -","8","1","","Ip, Ho-Wang; Chow, Hak-Fun; Kuck, Dietmar","Electronic and steric effects on the three-fold Scholl-type cycloheptatriene ring formation around a tribenzotriquinacene core","Organic Chemistry Frontiers","2017","4","5","817","","10.1039/C7QO00132K","","","0.71073","MoKα","","0.0864","0.058","","","0.1439","0.1598","","","","","","1.045","","","","has coordinates","235978","2020-10-21","18:00:00",""
"1553754","12.4244","0.0009","8.0614","0.0006","14.7164","0.001","90","","100.607","0.002","90","","1448.78","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-(3-methyl-11H-benzo[4,5]imidazo[2,1-a]isoindol-11-yl)acetate","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Selvaraju, Manikandan; Wang, Ying-Lien; Sun, Chung-Ming","Ruthenium(ii)-catalyzed C‒H alkenylation/annulation cascade for the rapid synthesis of benzoimidazoisoindoles","Organic Chemistry Frontiers","2017","4","7","1358","","10.1039/C7QO00136C","","","0.71073","MoKα","","0.0463","0.0376","","","0.0917","0.0982","","","","","","1.03","","","","has coordinates","235980","2020-10-21","18:00:00",""
"1553755","8.086","0.005","14.196","0.005","23.304","0.005","90","0.005","90","0.005","90","0.005","2675","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7.75 H7.75 F7.75 N7.75 O7.75 S7.75 -","- C30 H19 F3 N O5 S2 -","- C120 H76 F12 N4 O20 S8 -","4","1","","Pouambeka, Tony Wheellyam; Zhang, Ge; Zheng, Guang-Fan; Xu, Guo-Xing; Zhang, Qian; Xiong, Tao; Zhang, Qian","Copper-catalyzed oxidative amidation of α,β-unsaturated ketones via selective C‒H or C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","7","1420","","10.1039/C7QO00146K","","","0.71069","MoKα","","0.0936","0.064","","","0.1363","0.1534","","","","","","1.03","","","","has coordinates","235982","2020-10-21","18:00:00",""
"1553756","5.9608","0.0004","18.7773","0.0009","20.3817","0.0011","90","","90","","90","","2281.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O2 S2 -","- C27 H21 N O2 S2 -","- C108 H84 N4 O8 S8 -","4","1","","Shi, Qing; Li, Pinhua; Zhang, Yan; Wang, Lei","Visible light-induced tandem oxidative cyclization of 2-alkynylanilines with disulfides (diselenides) to 3-sulfenyl- and 3-selenylindoles under transition metal-free and photocatalyst-free conditions","Organic Chemistry Frontiers","2017","4","7","1322","","10.1039/C7QO00152E","","","0.71073","MoKα","","0.041","0.0337","","","0.0813","0.0861","","","","","","1.026","","","","has coordinates","235984","2020-10-21","18:00:00",""
"1553757","9.0611","0.0006","7.1551","0.0004","20.5051","0.0018","90","","93.684","0.006","90","","1326.66","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Zhang, Zhiguo; Zhang, Yongchao; Huang, Guoqing; Zhang, Guisheng","Organoiodine reagent-promoted intermolecular oxidative amination: synthesis of cyclopropyl spirooxindoles","Organic Chemistry Frontiers","2017","4","7","1372","","10.1039/C7QO00156H","","x-ray","1.54184","CuKα","","0.054","0.0443","","","0.1155","0.1246","","","","","","1.039","","","","has coordinates","235986","2020-10-21","18:00:00",""
"1553758","8.3955","0.0002","14.09","0.0004","16.7651","0.0005","90","","90","","90","","1983.19","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br F3 N2 O6 -","- C17 H18 Br F3 N2 O6 -","- C68 H72 Br4 F12 N8 O24 -","4","1","","Liu, Qiang; Zhao, Kun; Zhi, Ying; Raabe, Gerhard; Enders, Dieter","Squaramide-catalyzed domino Michael/aza-Henry [3 + 2] cycloaddition: asymmetric synthesis of functionalized 5-trifluoromethyl and 3-nitro substituted pyrrolidines","Organic Chemistry Frontiers","2017","4","7","1416","","10.1039/C7QO00161D","","","1.54178","CuKα","","0.028","0.028","","0.031","","0.031","","","1.002","","","1.006","","","","has coordinates","235987","2020-10-21","18:00:00",""
"1553759","9.593","0.004","15.307","0.007","16.705","0.008","90","","93.785","0.008","90","","2447.6","1.9","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br Cl2 N3 O5 -","- C23 H22 Br Cl2 N3 O5 -","- C92 H88 Br4 Cl8 N12 O20 -","4","1","","Chen, Dong-Zhen; Xiao, Wen-Jing; Chen, Jia-Rong","Synthesis of spiropyrazoline oxindoles by a formal [4 + 1] annulation reaction between 3-bromooxindoles and in situ-derived 1,2-diaza-1,3-dienes","Organic Chemistry Frontiers","2017","4","7","1289","","10.1039/C7QO00163K","","","0.71073","MoKα","","0.0598","0.0405","","","0.1088","0.1204","","","","","","1.023","","","","has coordinates,has disorder","235989","2020-10-21","18:00:00",""
"1553760","6.299","0.008","11.774","0.015","14.904","0.019","99.608","0.016","94.163","0.015","96.363","0.016","1078","2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br Cl3 N3 O3 -","- C20 H17 Br Cl3 N3 O3 -","- C40 H34 Br2 Cl6 N6 O6 -","2","1","","Chen, Dong-Zhen; Xiao, Wen-Jing; Chen, Jia-Rong","Synthesis of spiropyrazoline oxindoles by a formal [4 + 1] annulation reaction between 3-bromooxindoles and in situ-derived 1,2-diaza-1,3-dienes","Organic Chemistry Frontiers","2017","4","7","1289","","10.1039/C7QO00163K","","","0.71073","MoKα","","0.2","0.1125","","","0.2823","0.3492","","","","","","1.051","","","","has coordinates","235989","2020-10-21","18:00:00",""
"1553761","7.738","0.0005","11.656","0.0008","14.0895","0.0008","90","","90","","90","","1270.79","0.14","298.84","0.1","298.84","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2',3'-dihydrospiro[cyclopentane-1,1'-cyclopenta[a]naphthalen]-2-one","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Zhang, Bo-Sheng; Hua, Hui-Liang; Gao, Lu-Yao; Liu, Ce; Qiu, Yi-Feng; Zhou, Ping-Xin; Zhou, Zhao-Zhao; Zhao, Jia-Hui; Liang, Yong-Min","Palladium-catalyzed arene C‒H activation/ketone C‒H functionalization reaction: route to spirodihydroindenones","Organic Chemistry Frontiers","2017","4","7","1376","","10.1039/C7QO00164A","","x-ray","0.71073","MoKα","","0.0845","0.0553","","","0.112","0.1329","","","","","","1.109","","","","has coordinates","235990","2020-10-21","18:00:00",""
"1553762","16.382","0.004","18.322","0.004","14.538","0.003","90","","120.472","0.003","90","","3760.9","1.5","","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-phenyl-2-tosyl-9H-pyrrolo[1,2-a]indole","","- C4 H3.167 N0.167 O0.333 S0.167 -","- C4 H3.16667 N0.166667 O0.333333 S0.166667 -","- C192 H152 N8 O16 S8 -","48","6","","Zhang, Pengbo; Gao, Yuzhen; Chen, Su; Tang, Guo; Zhao, Yufen","Direct synthesis of 2-sulfonated 9H-pyrrolo[1,2-a]indoles via NaI-catalyzed cascade radical addition/cyclization/isomerization","Organic Chemistry Frontiers","2017","4","7","1350","","10.1039/C7QO00167C","","","0.71073","MoKα","","0.0751","0.0546","","","0.1568","0.171","","","","","","1.1214","","","","has coordinates","235992","2020-10-21","18:00:00",""
"1553763","7.1026","0.0003","7.8866","0.0003","11.4159","0.0005","92.777","0.002","92.263","0.002","114.968","0.001","577.75","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hong, Longcheng; Ahles, Sebastian; Strauss, Marcel A.; Logemann, Christian; Wegner, Hermann A.","Synthesis of 2,3-diaza-anthraquinones via the bidentate Lewis acid catalysed inverse electron-demand Diels‒Alder (IEDDA) reaction","Organic Chemistry Frontiers","2017","4","5","871","","10.1039/C7QO00172J","","","0.71073","MoKα","","0.0557","0.045","","","0.1174","0.1233","","","","","","1.084","","","","has coordinates","235994","2020-10-21","18:00:00",""
"1553764","8.7048","0.001","10.5461","0.0013","13.9946","0.0017","82.33","0.002","79.359","0.002","79.1","0.002","1233.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 F I2 N O2 S -","- C25 H22 F I2 N O2 S -","- C50 H44 F2 I4 N2 O4 S2 -","2","1","","Wang, Qiang; Jiang, Bo; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Iron-catalyzed or iodine-induced intramolecular halocyclization of N-vinyl-tethered methylenecyclopropanes: facile access to halogenated 1,2-dihydroquinolines","Organic Chemistry Frontiers","2017","4","7","1294","","10.1039/C7QO00177K","","","0.71073","MoKα","","0.034","0.0293","","","0.0767","0.0796","","","","","","1.045","","","","has coordinates","235996","2020-10-21","18:00:00",""
"1553765","13.2671","0.0017","18.296","0.003","19.283","0.003","90","","108.684","0.003","90","","4434","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C200 H192 Cl8 N8 O16 S8 -","8","2","","Wang, Qiang; Jiang, Bo; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Iron-catalyzed or iodine-induced intramolecular halocyclization of N-vinyl-tethered methylenecyclopropanes: facile access to halogenated 1,2-dihydroquinolines","Organic Chemistry Frontiers","2017","4","7","1294","","10.1039/C7QO00177K","","","0.71073","MoKα","","0.1036","0.0688","","","0.1689","0.1901","","","","","","1.04","","","","has coordinates","235996","2020-10-21","18:00:00",""
"1553766","12.112","0.003","13.064","0.003","13.586","0.003","113.51","0.02","114.37","0.02","96.715","0.018","1690.6","0.9","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N S3 -","- C18 H17 N S3 -","- C72 H68 N4 S12 -","4","2","","Schneeweis, Arno; Neidlinger, Andreas; Reiss, Guido J.; Frank, Walter; Heinze, Katja; Müller, Thomas J. J.","Radical cation and dication of a 4H-dithieno[2,3-b:3′,2′-e][1,4]-thiazine","Organic Chemistry Frontiers","2017","4","5","839","","10.1039/C7QO00188F","","","0.71073","MoKα","","0.0962","0.0668","","","0.1361","0.1532","","","","","","1.198","","","","has coordinates","235998","2020-10-21","18:00:00",""
"1553767","9.3089","0.0019","10.692","0.002","10.826","0.002","98.78","0.004","90.325","0.004","108.111","0.004","1010.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C52 H40 F6 N2 O2 -","2","1","","An, Yuanyuan; Zhang, Jun; Xia, Hongguang; Wu, Jie","Radical cyclization of benzene-tethered 1,7-enynes with aryldiazonium tetrafluoroborates: a facile route to benzo[j]phenanthridines","Organic Chemistry Frontiers","2017","4","7","1318","","10.1039/C7QO00193B","","","0.71073","MoKα","","0.1156","0.0615","","","0.1912","0.2556","","","","","","0.988","","","","has coordinates","236000","2020-10-21","18:00:00",""
"1553768","8.7598","0.0009","25.852","0.003","8.8958","0.0009","90","","96.431","0.002","90","","2001.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F2 N2 O2 -","- C22 H26 F2 N2 O2 -","- C88 H104 F8 N8 O8 -","4","1","","Liu, Kai; Sui, Lin-Chao; Jin, Qiao; Li, Deng-Yuan; Liu, Pei-Nian","CuBr-mediated radical cascade difluoroacetamidation of acrylamides using α,α-difluoro-α-(TMS)-acetamides","Organic Chemistry Frontiers","2017","4","8","1606","","10.1039/C7QO00209B","","","0.71073","MoKα","","0.0599","0.0381","","","0.0827","0.0932","","","","","","1.01","","","","has coordinates","236002","2020-10-21","18:00:00",""
"1553769","21.229","0.01","3.919","0.0019","15.628","0.008","90","","105.861","0.011","90","","1250.7","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Ding, Junshuai; Zhang, Yingchao; Li, Jizhen","Nickel-catalyzed selective C-5 fluorination of 8-aminoquinolines with NFSI","Organic Chemistry Frontiers","2017","4","8","1528","","10.1039/C7QO00211D","","","0.71073","MoKα","","0.1172","0.0737","","","0.2007","0.2307","","","","","","0.994","","","","has coordinates","236004","2020-10-21","18:00:00",""
"1553770","11.93574","0.00015","7.18231","0.00008","19.3705","0.0002","90","","94.7142","0.0011","90","","1654.94","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl3 N O0 -","- C20 H12 Cl3 N -","- C80 H48 Cl12 N4 -","4","1","","Li, Jianxiao; An, Yanni; Li, Jiawei; Yang, Shaorong; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed C‒S bond activation and functionalization of 3-sulfenylindoles and related electron-rich heteroarenes","Organic Chemistry Frontiers","2017","4","8","1590","","10.1039/C7QO00215G","","x-ray","1.54184","CuKα","","0.0414","0.0398","","","0.1081","0.1101","","","","","","1.057","","","","has coordinates","236006","2020-10-21","18:00:00",""
"1553771","9.8942","0.0018","11.644","0.002","20.487","0.004","87.078","0.008","78.302","0.009","68.651","0.006","2152","0.7","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Cl4 N16 O2 -","- C34 H52 Cl4 N16 O2 -","- C68 H104 Cl8 N32 O4 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","","0.71073","MoKα","","0.1208","0.1118","","","0.3058","0.3152","","","","","","1.12","","","","has coordinates","236009","2020-10-21","18:00:00",""
"1553772","11.9766","0.0004","19.3355","0.0005","12.7804","0.0004","90","","114.734","0.004","90","","2688.09","0.17","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H10 Cl0.67 Co0.33 N2.67 O4 -","- C5.33333 H10 Cl0.666667 Co0.333333 N2.66667 O4 -","- C64 H120 Cl8 Co4 N32 O48 -","12","3","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","x-ray","1.54184","CuKα","","0.0713","0.0627","","","0.1679","0.1785","","","","","","1.048","","","","has coordinates","236009","2020-10-21","18:00:00",""
"1553773","13.18","0.003","19.895","0.004","20.59","0.004","108.27","0.03","107.63","0.03","90.48","0.03","4854","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H41 N16 O3.5 S1.5 -","- C27 H41 N16 O3.5 S1.5 -","- C108 H164 N64 O14 S6 -","4","2","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","","0.71073","MoKα","","0.1775","0.152","","","0.4104","0.4325","","","","","","1.136","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1553774","9.003","0.01","10.762","0.012","11.631","0.012","73.19","0.06","69.99","0.05","72.45","0.04","987.6","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 B F2 N2 O2 -","- C20 H23 B F2 N2 O2 -","- C40 H46 B2 F4 N4 O4 -","2","1","","Kubota, Yasuhiro; Tsukamoto, Masahiro; Ohnishi, Katsuhiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel squarylium‒boron complexes","Organic Chemistry Frontiers","2017","4","8","1522","","10.1039/C7QO00225D","","","0.71075","MoKα","","0.0802","0.0596","","","0.1648","0.1833","","","","","","1.048","","","","has coordinates","236011","2020-10-21","18:00:00",""
"1553775","8.6045","0.0006","11.4959","0.0007","10.3691","0.0006","90","","114.544","0.002","90","","933","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cl F3 N3 -","- C21 H17 Cl F3 N3 -","- C42 H34 Cl2 F6 N6 -","2","1","","Xie, En; Rahman, Abdul; Lin, Xufeng","Asymmetric synthesis of CF3- and indole-containing tetrahydro-β-carbolines via chiral spirocyclic phosphoric acid-catalyzed aza-Friedel‒Crafts reaction","Organic Chemistry Frontiers","2017","4","7","1407","","10.1039/C7QO00229G","","","0.71073","MoKα","","0.0749","0.0341","","","0.0633","0.0903","","","","","","1.003","","","","has coordinates","236013","2020-10-21","18:00:00",""
"1553776","10.326","0.002","9.584","0.0019","19.601","0.004","90","","104.43","0.03","90","","1878.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 I N2 -","- C22 H17 I N2 -","- C88 H68 I4 N8 -","4","1","","Liu, Cheng-Kou; Yang, Zhao; Zeng, Yu; Guo, Kai; Fang, Zheng; Li, Bo","Sodium nitrite-promoted aerobic oxidative coupling of aryl methyl ketones with ammonium under metal-free conditions: a facile access to polysubstitution imidazoles","Organic Chemistry Frontiers","2017","4","8","1508","","10.1039/C7QO00247E","","","0.71073","MoKα","","0.1106","0.0541","","","0.1168","0.137","","","","","","1","","","","has coordinates","236015","2020-10-21","18:00:00",""
"1553777","5.7817","0.0012","8.2558","0.001","19.972","0.002","90","","90","","90","","953.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0341","0.034","","","0.0898","0.09","","","","","","1.079","","","","has coordinates","236017","2020-10-21","18:00:00",""
"1553778","11.3637","0.0004","6.0455","0.0003","11.3636","0.0004","90","","98.45","","90","","772.2","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0426","0.0352","","","0.0792","0.083","","","","","","1.047","","","","has coordinates","236017","2020-10-21","18:00:00",""
"1553779","11.0348","0.0007","21.2718","0.0012","7.2221","0.0006","90","","90","","90","","1695.2","0.2","184.3","0.3","184.3","0.3","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Tang, Hai-Tao; Zeng, Jia-Hao; Chen, Jun-Jia; Zhou, Yun-Bing; Li, Ren-Hao; Zhan, Zhuang-Ping","Synthesis of pyrazolo[5,1-a]isoquinolines through copper-catalyzed regioselective bicyclization of N-propargylic sulfonylhydrazones","Organic Chemistry Frontiers","2017","4","8","1513","","10.1039/C7QO00249A","","","0.71073","MoKα","","0.0713","0.061","","","0.1247","0.1292","","","","","","1.161","","","","has coordinates","236019","2020-10-21","18:00:00",""
"1553780","17.5265","0.0008","18.9585","0.0009","11.1154","0.0005","90","","120.995","0.002","90","","3166","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Cl F3 N O -","- C19 H11 Cl F3 N O -","- C152 H88 Cl8 F24 N8 O8 -","8","1","","Mishra, Kalpana; Singh, Jay Bahadur; Gupta, Tanu; Singh, Radhey M.","TBAB-catalyzed cascade reactions: facile synthesis of 1-trifluoromethyl-3-alkylidene-1,3-dihydrofuro[3,4-b]quinolines via 5-exo-dig cyclization of o-arylalkynylquinoline aldehydes","Organic Chemistry Frontiers","2017","4","10","1926","","10.1039/C7QO00273D","","","0.71073","MoKα","","0.0617","0.0439","","","0.1131","0.1244","","","","","","1.033","","","","has coordinates","236021","2020-10-21","18:00:00",""
"1553781","5.0951","0.0004","6.0539","0.0006","14.8931","0.0015","90","","90","","90","","459.38","0.07","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N-Methylcarbamoyl","","","- C2 H4 N4 O -","- C2 H4 N4 O -","- C8 H16 N16 O4 -","4","0.5","","Wan, Huabin; Li, Hongmin; Xu, Jian; Wu, Zhuang; Liu, Qifan; Chu, Xianxu; Abe, Manabu; Bégué, Didier; Zeng, Xiaoqing","N-Methylcarbamoyl azide: spectroscopy, X-ray structure and decomposition via methylcarbamoyl nitrene","Organic Chemistry Frontiers","2017","4","9","1839","","10.1039/C7QO00277G","","","0.71073","MoKα","","0.0512","0.0451","","","0.1313","0.1346","","","","","","2.174","","","","has coordinates","236023","2020-10-21","18:00:00",""
"1553782","12.326","0.004","11.032","0.004","13.445","0.005","90","","90","","90","","1828.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H18 F2 O4 -","- C21 H18 F2 O4 -","- C84 H72 F8 O16 -","4","1","","Li, Yuewen; Lu, Yiye; Mao, Runyu; Li, Zhiming; Wu, Jie","A photoinduced reaction of perfluoroalkyl halides with 1,3-diarylprop-2-yn-1-ones catalyzed by DABSO","Organic Chemistry Frontiers","2017","4","9","1745","","10.1039/C7QO00279C","","","0.71073","MoKα","","0.0343","0.0325","","","0.0913","0.0937","","","","","","1.076","","","","has coordinates","236025","2020-10-21","18:00:00",""
"1553783","10.7971","0.0008","15.2395","0.0013","26.1285","0.0019","90","","90","","90","","4299.2","0.6","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ph-4Br-Pyr","","- C22 H18 Br4 N2 -","- C22 H18 Br4 N2 -","- C176 H144 Br32 N16 -","8","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.7107","MoKα","","0.0826","0.0529","","","0.0992","0.1106","","","","","","1.065","","","","has coordinates","236027","2020-10-21","18:00:00",""
"1553784","6.6642","0.0004","19.8278","0.0016","14.8224","0.001","90","","101.924","0.007","90","","1916.3","0.2","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tBu-2Br-NSBV-re","","- C18 H26 Br2 N2 -","- C18 H26 Br2 N2 -","- C72 H104 Br8 N8 -","4","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.71073","MoKα","","0.0978","0.0537","","","0.1172","0.132","","","","","","1.028","","","","has coordinates","236027","2020-10-21","18:00:00",""
"1553785","23.66","0.002","10.2673","0.001","10.5398","0.001","90","","90","","90","","2560.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H25 F3 N O S -","- C26 H25 F3 N O S -","- C104 H100 F12 N4 O4 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0783","0.0617","","","0.1818","0.195","","","","","","1.098","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553786","8.5817","0.0002","10.4128","0.0003","27.6259","0.0007","90","","90","","90","","2468.64","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl F3 N O3 -","- C27 H23 Cl F3 N O3 -","- C108 H92 Cl4 F12 N4 O12 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0445","0.034","","","0.077","0.0828","","","","","","1.054","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553787","6.2282","0.0002","7.0351","0.0002","36.2461","0.0013","90","","90","","90","","1588.16","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O2 S -","- C15 H16 F3 N O2 S -","- C60 H64 F12 N4 O8 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0481","0.0415","","","0.1071","0.1119","","","","","","1.06","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553788","12.9056","0.0003","8.981","0.0002","20.4045","0.0005","90","","106.848","0.003","90","","2263.48","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0506","0.0412","","","0.1062","0.1138","","","","","","1.041","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553789","14.3374","0.0005","9.71","0.0004","18.7718","0.0007","90","","105.341","0.004","90","","2520.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0561","0.0467","","","0.1343","0.1436","","","","","","1.049","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553790","9.5853","0.0009","9.8739","0.0008","14.7007","0.0014","103.11","0.008","94.035","0.008","114.371","0.008","1213.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O3 P -","- C29 H23 N2 O3 P -","- C58 H46 N4 O6 P2 -","2","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0583","0.0467","","","0.1246","0.136","","","","","","1.021","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553791","11.9961","0.0005","8.631","0.0003","21.6563","0.0007","90","","95.014","0.004","90","","2233.68","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0494","0.0406","","","0.1051","0.1133","","","","","","1.058","","","","has coordinates","236032","2020-10-21","18:00:00",""
"1553792","9.0757","0.0002","10.4623","0.0002","26.2445","0.0005","90","","90","","90","","2491.99","0.09","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 O2 P -","- C33 H27 O2 P -","- C132 H108 O8 P4 -","4","1","","Li, Bin; Zhang, Mingkai; Huang, Xulun; Gu, Zhenhua","Synthesis of 2,3-dihydro-1H-phosphindole-1-oxides via the t-BuLi-mediated rearrangement of vinyl bromides and phosphine oxides","Organic Chemistry Frontiers","2017","4","9","1854","","10.1039/C7QO00310B","","","1.54184","CuKα","","0.0326","0.0313","","","0.0828","0.0843","","","","","","1.046","","","","has coordinates","236035","2020-10-21","18:00:00",""
"1553793","12.3885","0.0001","18.8197","0.0002","10.4583","0.0001","90","","103.828","0.001","90","","2367.66","0.04","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 O P -","- C32 H25 O P -","- C128 H100 O4 P4 -","4","1","","Li, Bin; Zhang, Mingkai; Huang, Xulun; Gu, Zhenhua","Synthesis of 2,3-dihydro-1H-phosphindole-1-oxides via the t-BuLi-mediated rearrangement of vinyl bromides and phosphine oxides","Organic Chemistry Frontiers","2017","4","9","1854","","10.1039/C7QO00310B","","","1.54184","CuKα","","0.0402","0.0375","","","0.1027","0.1053","","","","","","1.056","","","","has coordinates","236035","2020-10-21","18:00:00",""
"1553794","10.0442","0.0004","10.4197","0.0004","11.9542","0.0005","84.471","0.002","84.954","0.002","75.059","0.002","1200.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 B O4 -","- C28 H33 B O4 -","- C56 H66 B2 O8 -","2","1","","Hsieh, Jen-Chieh; Hong, Ya-Chun; Yang, Chun-Ming; Mannathan, Subramaniyan; Cheng, Chien-Hong","Nickel-catalyzed highly chemo- and stereoselective borylative cyclization of 1,6-enynes with bis(pinacolato)diboron","Organic Chemistry Frontiers","2017","4","8","1615","","10.1039/C7QO00321H","","","0.71073","MoKα","","0.0726","0.052","","","0.1247","0.1392","","","","","","1.046","","","","has coordinates,has disorder","236037","2020-10-21","18:00:00",""
"1553795","22.0623","0.0004","14.5144","0.0003","5.67392","0.0001","90","","90","","90","","1816.91","0.06","294.08","0.1","294.08","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 Br O6 -","- C19 H19 Br O6 -","- C76 H76 Br4 O24 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Ge, Shulin; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of chromans via the Friedel‒Crafts alkylation‒hemiketalization catalysed by an N,N′-dioxide scandium(iii) complex","Organic Chemistry Frontiers","2017","4","8","1647","","10.1039/C7QO00323D","","x-ray","1.54184","CuKα","","0.0429","0.042","","","0.1027","0.1042","","","","","","1.071","","","","has coordinates","236039","2020-10-21","18:00:00",""
"1553796","10.4368","0.0004","6.0294","0.0002","15.7294","0.0005","90","","107.537","0.004","90","","943.81","0.06","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C42 H36 Br2 N2 O6 -","2","1","","De Munck, Lode; Sukowski, Verena; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.","Catalytic enantioselective aza-Reformatsky reaction with seven-membered cyclic imines dibenzo[b,f][1,4]oxazepines","Organic Chemistry Frontiers","2017","4","8","1624","","10.1039/C7QO00329C","","","0.71073","MoKα","","0.0494","0.0362","","","0.0782","0.0855","","","","","","0.969","","","","has coordinates","236041","2020-10-21","18:00:00",""
"1553797","9.17425","0.00019","7.88736","0.00013","21.7312","0.0004","90","","99.3556","0.0019","90","","1551.57","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 F N2 O -","- C20 H13 F N2 O -","- C80 H52 F4 N8 O4 -","4","1","","Ren, Xuhong; Wang, Qiyang; Yu, Wenjia; Zhan, Xiaoyu; Yao, Yishan; Qin, Bingjie; Dong, Mingxin; He, Xinhua","Photoredox catalytic intramolecular imine C‒H bond functionalization using ligand free Cu(ii) salts","Organic Chemistry Frontiers","2017","4","10","2022","","10.1039/C7QO00348J","","x-ray","1.54184","CuKα","","0.0399","0.0374","","","0.0987","0.1009","","","","","","1.051","","","","has coordinates,has disorder","236043","2020-10-21","18:00:00",""
"1553798","7.6272","0.0007","13.3952","0.0013","11.846","0.0012","90","","90.87","0.003","90","","1210.1","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,9-trinitro-2,4,9-triazaadamantane-7-yl nitrate","","- C7 H9 N7 O9 -","- C7 H9 N7 O9 -","- C28 H36 N28 O36 -","4","1","","Hou, Tianjiao; Zhang, Jian; Wang, Chenjiao; Luo, Jun","A facile method to construct a 2,4,9-triazaadamantane skeleton and synthesize nitramine derivatives","Organic Chemistry Frontiers","2017","4","9","1819","","10.1039/C7QO00357A","","","0.71073","MoKα","","0.0262","0.0256","","","0.0682","0.0686","","","","","","1.058","","","","has coordinates","236045","2020-10-21","18:00:00",""
"1553799","15.7593","0.0003","6.7689","0.0002","21.0839","0.0004","90","","104.622","0.001","90","","2176.24","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 O3 Si -","- C21 H40 O3 Si -","- C84 H160 O12 Si4 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.0464","0.0372","","","0.0941","0.0995","","","","","","1.04","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553800","8.7959","0.0005","10.4916","0.0006","13.2932","0.0008","70.468","0.002","74.252","0.002","71.371","0.002","1076.8","0.11","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C44 H52 N8 O12 -","2","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","0.71073","MoKα","","0.0542","0.0453","","","0.1248","0.1323","","","","","","1.036","","","","has coordinates,has disorder","236048","2020-10-21","18:00:00",""
"1553801","15.8792","0.0005","7.383","0.0003","18.5839","0.0007","90","","94.011","0.002","90","","2173.37","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.063","0.05","","","0.1208","0.1289","","","","","","1.034","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553802","19.2372","0.0012","19.7853","0.0013","12.577","0.0007","90","","107.983","0.003","90","","4553.1","0.5","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C176 H208 N32 O48 -","8","2","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.0851","0.0689","","","0.2013","0.2182","","","","","","1.066","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553803","15.0743","0.0003","6.8149","0.0001","21.2545","0.0004","90","","92.709","0.001","90","","2181.03","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 O3 Si -","- C21 H38 O3 Si -","- C84 H152 O12 Si4 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","0.71073","MoKα","","0.053","0.0386","","","0.1032","0.1112","","","","","","1.027","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553804","12.0087","0.0006","17.7464","0.0007","12.6045","0.0007","90","","103.892","0.005","90","","2607.6","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 I O4 S -","- C28 H29 I O4 S -","- C112 H116 I4 O16 S4 -","4","1","","Miao, Maozhong; Xu, Huaping; Luo, Yi; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","A modular approach to highly functionalized 3-sulfonylfurans via conjugate addition of 3-cyclopropylideneprop-2-en-1-ones with sodium sulfinates and sequential 5-endo-trig iodocyclization","Organic Chemistry Frontiers","2017","4","9","1824","","10.1039/C7QO00362E","","","0.71073","MoKα","","0.0879","0.0665","","","0.1759","0.1906","","","","","","1.049","","","","has coordinates,has disorder","236050","2020-10-21","18:00:00",""
"1553805","9.8395","0.0017","10.7013","0.0019","10.8636","0.0019","114.335","0.002","94.477","0.002","116.312","0.002","885.4","0.3","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C44 H40 O6 -","2","1","","Shi, Xiaonan; He, Yan; Zhang, Xinying; Fan, Xuesen","Selective syntheses of diversely substituted 2-hydroxy-4′-hydroxybenzophenones through [4 + 2] or [3 + 3] annulation of penta-3,4-dien-2-ones with 3-formylchromones","Organic Chemistry Frontiers","2017","4","10","1967","","10.1039/C7QO00366H","","x-ray","0.71073","MoKα","","0.0628","0.0473","","","0.1274","0.1434","","","","","","1.029","","","","has coordinates","236052","2020-10-21","18:00:00",""
"1553806","8.8173","0.0004","14.3926","0.0007","15.3659","0.0007","90","","90","","90","","1949.99","0.16","105.8","","105.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O5 S -","- C22 H19 N O5 S -","- C88 H76 N4 O20 S4 -","4","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama‒Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0275","0.0271","","","0.0686","0.0689","","","","","","1.061","","","","has coordinates","236054","2020-10-21","18:00:00",""
"1553807","8.2203","0.0005","9.1263","0.0005","13.0906","0.0007","90","","102.302","0.006","90","","959.52","0.1","106.3","","106.3","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama‒Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0372","0.0366","","","0.0978","0.0986","","","","","","1.032","","","","has coordinates","236054","2020-10-21","18:00:00",""
"1553808","29.3492","0.0015","12.5025","0.0006","25.3876","0.0013","90","","113.65","0.003","90","","8533.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 Cl8 N26 O21 Zn2 -","- C62 H82 Cl8 N26 O12 Zn2 -","- C248 H328 Cl32 N104 O48 Zn8 -","4","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.0891","0.077","","","0.2427","0.253","","","","","","1.085","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553809","27.52","0.003","17.25","0.003","18.358","0.003","90","","94.006","0.007","90","","8694","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Cl8 N26 O28 Zn2 -","- C60 H70 Cl8 N26 O12 Zn2 -","- C240 H280 Cl32 N104 O48 Zn8 -","4","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.1071","0.0703","","","0.2108","0.2315","","","","","","1.079","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553810","12.2894","0.0018","12.4667","0.0017","14.986","0.002","73.289","0.004","84.747","0.004","62.451","0.004","1947.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H94 Cl6 N26 O22 Zn2 -","- C58 H74 Cl6 N26 O14 Zn2 -","- C58 H74 Cl6 N26 O14 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.076","0.053","","","0.1377","0.1484","","","","","","1.055","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553811","12.298","0.003","12.903","0.003","15.662","0.003","75.259","0.003","70.211","0.003","76.684","0.003","2233","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 Cl10 N26 O28 Zn2 -","- C60 H78 Cl10 N26 O12 Zn2 -","- C60 H78 Cl10 N26 O12 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.0667","0.0576","","","0.1827","0.1918","","","","","","1.007","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553812","12.315","0.004","12.875","0.004","15.525","0.006","75.131","0.011","70.361","0.011","77.82","0.01","2219.6","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H108 Cl10 N26 O28 Zn2 -","- C62 H74 Cl10 N26 O22 Zn2 -","- C62 H74 Cl10 N26 O22 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.1104","0.0836","","","0.2457","0.2745","","","","","","1.003","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553813","5.095","0.008","12.261","0.019","17","0.03","73.395","0.018","81.56","0.02","78.69","0.02","993","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Br N2 O2 -","- C21 H19.5 Br N2 O2 -","- C42 H39 Br2 N4 O4 -","2","1","","Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Silver-catalyzed cyclization of nitrones with 2-azetine: a radical approach to 2,3-disubstituted quinolines","Organic Chemistry Frontiers","2017","4","9","1833","","10.1039/C7QO00405B","","","0.71073","MoKα","","0.2545","0.0911","","","0.2098","0.2887","","","","","","0.963","","","","has coordinates,has disorder","236058","2020-10-21","18:00:00",""
"1553814","6.1408","0.0017","10.54","0.003","16.567","0.005","87.399","0.007","81.181","0.006","79.922","0.006","1043.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C44 H52 N4 O8 -","2","1","","Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Silver-catalyzed cyclization of nitrones with 2-azetine: a radical approach to 2,3-disubstituted quinolines","Organic Chemistry Frontiers","2017","4","9","1833","","10.1039/C7QO00405B","","","0.71073","MoKα","","0.1062","0.0721","","","0.1651","0.1818","","","","","","1.081","","","","has coordinates","236058","2020-10-21","18:00:00",""
"1553815","6.82668","0.00015","9.4989","0.0002","34.5079","0.001","90","","90","","90","","2237.7","0.09","293.49","0.15","293.49","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl O7 -","- C23 H23 Cl O7 -","- C92 H92 Cl4 O28 -","4","1","","Yao, Qian; Lin, Lili; Zhang, Hang; Yu, Han; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming","The asymmetric synthesis of multisubstituted diquinanes via the domino reaction of electron-deficient enynes","Organic Chemistry Frontiers","2017","4","10","2012","","10.1039/C7QO00408G","","x-ray","1.54184","CuKα","","0.0575","0.0535","","","0.1492","0.1553","","","","","","1.044","","","","has coordinates","236060","2020-10-21","18:00:00",""
"1553816","7.8333","0.0001","8.7742","0.0002","23.1441","0.0004","90","","95.475","0.001","90","","1583.46","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C76 H68 N4 O12 S4 -","4","1","","De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.","TBAF catalyzed one-pot synthesis of allenyl-indoles","Organic Chemistry Frontiers","2017","4","9","1849","","10.1039/C7QO00414A","","","0.71073","MoKα","","0.0466","0.0328","","","0.0849","0.0909","","","","","","1.235","","","","has coordinates","236062","2020-10-21","18:00:00",""
"1553817","8.5679","0.0012","12.3701","0.0014","18.181","0.003","83.843","0.007","89.595","0.012","80.871","0.009","1891.4","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H16 F3 N O3 S -","- C20 H15 F3 N O3 S -","- C80 H60 F12 N4 O12 S4 -","4","4","","De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.","TBAF catalyzed one-pot synthesis of allenyl-indoles","Organic Chemistry Frontiers","2017","4","9","1849","","10.1039/C7QO00414A","","","0.71073","MoKα","","0.2446","0.0738","","","0.1707","0.2621","","","","","","0.892","","","","has coordinates","236062","2020-10-21","18:00:00",""
"1553818","14.884","0.002","4.3831","0.0006","27.39","0.003","90","","117.921","0.006","90","","1578.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 I2 O4 -","- C15 H10 I2 O4 -","- C60 H40 I8 O16 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.1052","0.0835","","","0.1766","0.1859","","","","","","1.14","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553819","14.9433","0.0006","9.3141","0.0004","17.6377","0.0006","90","","102.36","0.001","90","","2397.98","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 F3 N O5 -","- C25 H26 F3 N O5 -","- C100 H104 F12 N4 O20 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.0948","0.0494","","","0.1183","0.1463","","","","","","1.016","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553820","15.6855","0.0006","9.6366","0.0003","13.4345","0.0005","90","","96.4","0.001","90","","2018.03","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F3 N O4 -","- C21 H24 F3 N O4 -","- C84 H96 F12 N4 O16 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.0632","0.0424","","","0.1036","0.1171","","","","","","1.021","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553821","8.577","0.0004","11.253","0.0005","11.3999","0.0005","83.261","0.001","69.715","0.001","68.411","0.001","959.58","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 F3 O5 -","- C19 H21 F3 O5 -","- C38 H42 F6 O10 -","2","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.074","0.0615","","","0.1764","0.1907","","","","","","1.082","","","","has coordinates","236064","2020-10-21","18:00:00",""
"1553822","16.2553","0.0002","8.3116","0.0001","24.8996","0.0004","90","","90","","90","","3364.12","0.08","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C152 H120 N24 O32 -","8","2","","Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O.","Selective cross-dehydrogenative C‒O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis","Organic Chemistry Frontiers","2017","4","10","1947","","10.1039/C7QO00447H","","","1.54186","CuKα","","0.078","0.0593","","","0.1415","0.1484","","","","","","0.893","","","","has coordinates","236066","2020-10-21","18:00:00",""
"1553823","25.317","0.004","8.8649","0.0015","22.042","0.004","90","","120.571","0.002","90","","4259.3","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 F2 O3 P -","- C24 H21 F2 O3 P -","- C192 H168 F16 O24 P8 -","8","1","","Zhang, Pengbo; Ying, Jianxi; Tang, Guo; Zhao, Yufen","Phosphinodifluoroalkylation of alkynes using P(O)H compounds and ethyl difluoroiodoacetate","Organic Chemistry Frontiers","2017","4","10","2054","","10.1039/C7QO00466D","","","0.71073","MoKα","","0.054","0.049","","","0.1296","0.1347","","","","","","1.0601","","","","has coordinates,has disorder","236068","2020-10-21","18:00:00",""
"1553824","7.75","0.001","20.882","0.003","14.5149","0.0019","90","","93.914","0.003","90","","2343.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C104 H112 N8 O20 -","4","1","","Yang, Minghua; Zhang, Shusheng; Zhang, Xiang; Wang, Haoyang; Zhang, Fang; Hou, Yuting; Su, Yue; Guo, Yinlong","An unexpected acid-catalyzed decomposition reaction of cilnidipine and pranidipine to the decarboxylative bridged tricyclic products via cascade rearrangements","Organic Chemistry Frontiers","2017","4","11","2163","","10.1039/C7QO00496F","","","0.71073","MoKα","","0.1081","0.0778","","","0.1691","0.1841","","","","","","1.134","","","","has coordinates,has disorder","236070","2020-10-21","18:00:00",""
"1553825","9.6871","0.0007","14.029","0.0007","23.8866","0.0017","90","","90.258","0.006","90","","3246.2","0.4","289.9","0.3","289.9","0.3","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.0806","0.0545","","","0.1326","0.1516","","","","","","1.093","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553826","10.2811","0.0005","28.3515","0.0009","12.9191","0.0005","90","","103.741","0.005","90","","3657.9","0.3","291.08","0.1","291.08","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","2","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.1557","0.0668","","","0.1262","0.1747","","","","","","1.026","","","","has coordinates,has disorder","236073","2020-10-21","18:00:00",""
"1553827","22.151","0.0011","9.8005","0.0004","26.0531","0.0013","90","","117.401","0.006","90","","5021.3","0.5","292.59","0.11","292.59","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C216 H264 N8 O56 S8 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","x-ray","0.71073","MoKα","","0.0815","0.0529","","","0.114","0.1334","","","","","","1.038","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553828","8.9279","0.0006","10.0249","0.0007","10.8557","0.001","115.731","0.008","104.925","0.007","90.322","0.006","838","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","x-ray","0.71073","MoKα","","0.0681","0.0495","","","0.1075","0.1189","","","","","","1.03","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553829","5.9908","0.0005","12.2284","0.001","23.731","0.003","90","","90","","90","","1738.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.1199","0.0686","","","0.1491","0.1997","","","","","","0.991","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553830","13.7047","0.0006","15.4463","0.0007","24.0895","0.001","90","","97.806","0.004","90","","5052.2","0.4","290.74","0.1","290.74","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C216 H264 N8 O56 S8 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.1132","0.0598","","","0.1021","0.1244","","","","","","1.062","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553831","8.981","0.002","10.331","0.003","10.885","0.003","66.11","0.03","71.31","0.03","87.32","0.02","870.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.1259","0.0673","","","0.1341","0.1744","","","","","","1.034","","","","has coordinates,has disorder","236073","2020-10-21","18:00:00",""
"1553832","9.88","0.002","10.9717","0.0017","12.836","0.002","85.382","0.013","71.391","0.017","65.05","0.019","1193.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N O7 S -","- C25 H29 N O7 S -","- C50 H58 N2 O14 S2 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.095","0.057","","","0.1195","0.1501","","","","","","1.036","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553833","7.3052","0.0011","10.5757","0.0016","14.449","0.002","88.853","0.003","83.694","0.003","77.708","0.003","1084.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Cl F3 N O5 -","- C23 H19 Cl F3 N O5 -","- C46 H38 Cl2 F6 N2 O10 -","2","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0638","0.0465","","","0.1114","0.1227","","","","","","1.015","","","","has coordinates","236075","2020-10-21","18:00:00",""
"1553834","11.287","0.002","12.727","0.002","14.808","0.003","90","","103.68","0.004","90","","2066.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl F3 N O4 -","- C19 H23 Cl F3 N O4 -","- C76 H92 Cl4 F12 N4 O16 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0781","0.0568","","","0.1427","0.1542","","","","","","1.044","","","","has coordinates,has disorder","236075","2020-10-21","18:00:00",""
"1553835","21.872","0.003","7.604","0.001","24.313","0.003","90","","110.597","0.003","90","","3785.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl F3 N O3 -","- C21 H17 Cl F3 N O3 -","- C168 H136 Cl8 F24 N8 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0662","0.0487","","","0.1124","0.1212","","","","","","1.037","","","","has coordinates","236075","2020-10-21","18:00:00",""
"1553836","6.9086","0.0008","9.5831","0.0007","19.453","0.002","90","","96.737","0.01","90","","1279","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Zhang, Wei; Yu, Wenlong; Yan, Qiangqiang; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of substituted oxazoles via Pd-catalyzed tandem oxidative cyclization","Organic Chemistry Frontiers","2017","4","12","2428","","10.1039/C7QO00517B","","","0.71073","MoKα","","0.1472","0.1365","","","0.3471","0.3583","","","","","","1.333","","","","has coordinates","236076","2020-10-21","18:00:00",""
"1553837","11.7381","0.0004","13.2058","0.0005","14.4879","0.0006","90","","98.487","0.002","90","","2221.19","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C100 H116 N4 O20 S4 -","4","1","","Lv, Leiyang; Lu, Shenglin; Chen, Yuanjin; Li, Zhiping","Diastereoselective building up polycyclic tetrahydrofurans via tandem annulation of 1,n-enynes with aliphatic acids","Organic Chemistry Frontiers","2017","4","11","2147","","10.1039/C7QO00527J","","","0.71073","MoKα","","0.0408","0.0347","","","0.0876","0.0914","","","","","","1.027","","","","has coordinates","236078","2020-10-21","18:00:00",""
"1553838","8.0159","0.0011","15.545","0.003","21.174","0.003","90","","90","","90","","2638.4","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N O7 S -","- C29 H25 N O7 S -","- C116 H100 N4 O28 S4 -","4","1","","Li, Shoulei; Zhang, Enge; Feng, Junjun; Li, Xin","An enantioselective conjugate addition reaction of 3-substituted benzothiophen-2-ones and 2-phthalimidoacrylates","Organic Chemistry Frontiers","2017","4","12","2301","","10.1039/C7QO00531H","","","0.71073","MoKα","","0.0315","0.0276","","","0.07","0.072","","","","","","1.014","","","","has coordinates","236081","2020-10-21","18:00:00",""
"1553839","9.5214","0.0008","9.6784","0.0008","9.8861","0.0008","114.205","0.008","92.568","0.007","116.743","0.008","712.04","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F N2 O2 -","- C15 H17 F N2 O2 -","- C30 H34 F2 N4 O4 -","2","1","","Yang, Zi; Lin, Xing; Wang, Lianhui; Cui, Xiuling","Facile synthesis of 1-aminoindoles via Rh(iii)-catalysed intramolecular three-component annulation","Organic Chemistry Frontiers","2017","4","11","2179","","10.1039/C7QO00541E","","x-ray","1.54184","CuKα","","0.044","0.0376","","","0.1015","0.1075","","","","","","1.042","","","","has coordinates","236083","2020-10-21","18:00:00",""
"1553840","10.723","0.016","9.856","0.015","20.94","0.03","90","","100.205","0.017","90","","2178","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br N O4 S -","- C23 H22 Br N O4 S -","- C92 H88 Br4 N4 O16 S4 -","4","1","","Wang, Weiyi; He, Qiuqin; Fan, Renhua","PhI(OAc)2-mediated dialkoxylation of 4-aminostyrenes through a dearomatization process under metal-free conditions","Organic Chemistry Frontiers","2017","4","11","2156","","10.1039/C7QO00545H","","","0.71073","MoKα","","0.1743","0.0976","","","0.2577","0.3288","","","","","","0.996","","","","has coordinates","236085","2020-10-21","18:00:00",""
"1553841","13.746","0.002","8.2548","0.0013","15.646","0.003","90","","104.468","0.002","90","","1719.1","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Wang, Weiyi; He, Qiuqin; Fan, Renhua","PhI(OAc)2-mediated dialkoxylation of 4-aminostyrenes through a dearomatization process under metal-free conditions","Organic Chemistry Frontiers","2017","4","11","2156","","10.1039/C7QO00545H","","","0.71073","MoKα","","0.0557","0.0433","","","0.1308","0.1447","","","","","","1.103","","","","has coordinates","236085","2020-10-21","18:00:00",""
"1553842","11.7394","0.0011","19.838","0.0019","16.5546","0.0012","90","","94.489","0.007","90","","3843.5","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl2 N2 O2 Pd -","- C40 H48 Cl2 N2 O2 Pd -","- C160 H192 Cl8 N8 O8 Pd4 -","4","1","","Chen, Fu-Min; Huang, Fei-Dong; Yao, Xue-Yi; Li, Tian; Liu, Feng-Shou","Direct C‒H heteroarylation by an acenaphthyl-based α-diimine palladium complex: improvement of the reaction efficiency for bi(hetero)aryls under aerobic conditions","Organic Chemistry Frontiers","2017","4","12","2336","","10.1039/C7QO00562H","","x-ray","0.71073","MoKα","","0.1182","0.0986","","","0.2046","0.2146","","","","","","1.185","","","","has coordinates","236088","2020-10-21","18:00:00",""
"1553843","7.973","0.0003","12.9128","0.0005","14.3781","0.0008","90","","90","","90","","1480.28","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3a","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Qiuju; Li, Chengcheng; Wang, Weihong; Wang, Hongling; Pan, Dingwu; Zheng, Pengcheng","NHC-catalyzed enantioselective synthesis of dihydropyran-4-carbonitriles bearing all-carbon quaternary centers","Organic Chemistry Frontiers","2017","4","12","2323","","10.1039/C7QO00571G","","","1.54178","CuKα","","0.0445","0.0406","","","0.106","0.1097","","","","","","1.033","","","","has coordinates","236090","2020-10-21","18:00:00",""
"1553844","11.831","0.0008","8.4718","0.0005","16.4581","0.001","90","","90.759","0.006","90","","1649.45","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C‒H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.0821","0.0489","","","0.1144","0.1394","","","","","","1.038","","","","has coordinates","236092","2020-10-21","18:00:00",""
"1553845","8.316","0.002","10.229","0.002","13.179","0.003","69.905","0.018","82.818","0.018","72.23","0.019","1002.3","0.4","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N O -","- C24 H27 N O -","- C48 H54 N2 O2 -","2","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C‒H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.2693","0.0889","","","0.1758","0.2639","","","","","","0.994","","","","has coordinates","236092","2020-10-21","18:00:00",""
"1553846","11.781","0.001","12.2621","0.0007","12.7517","0.001","90","","110.261","0.009","90","","1728.1","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 I N O2 -","- C17 H22 I N O2 -","- C68 H88 I4 N4 O8 -","4","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C‒H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.0708","0.046","","","0.0999","0.1149","","","","","","1.054","","","","has coordinates,has disorder","236092","2020-10-21","18:00:00",""
"1553847","20.993","0.007","3.9406","0.0012","12.147","0.004","90","","95.906","0.005","90","","999.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br F3 O S -","- C8 H6 Br F3 O S -","- C32 H24 Br4 F12 O4 S4 -","4","1","","Zhang, Yunxiao; Wu, Dongping; Weng, Zhiqiang","Synthesis of 1,2,2-trifluorovinyl sulphides and selenides from trifluorovinylation of organic thiocyanates and selenocyanates","Organic Chemistry Frontiers","2017","4","11","2226","","10.1039/C7QO00595D","","","0.71073","MoKα","","0.0616","0.0498","","","0.1371","0.1432","","","","","","1.072","","","","has coordinates","236093","2020-10-21","18:00:00",""
"1553848","9.3385","0.0018","11.1134","0.0014","11.912","0.002","69.983","0.007","88.735","0.008","69.443","0.007","1080.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br N O4 S -","- C26 H20 Br N O4 S -","- C52 H40 Br2 N2 O8 S2 -","2","1","","Jin, Hongxing; Li, Erqing; Huang, You","Divergent synthesis of hydropyridine derivatives via nitrogen-containing Lewis base mediated regioselective [4 + 2] cyclizations","Organic Chemistry Frontiers","2017","4","11","2216","","10.1039/C7QO00596B","","","0.71073","MoKα","","0.0323","0.0253","","","0.0686","0.0704","","","","","","1.045","","","","has coordinates","236094","2020-10-21","18:00:00",""
"1553849","27.96","0.01","10.908","0.003","16.954","0.006","90","","121.023","0.005","90","","4431","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br N O4 S -","- C26 H20 Br N O4 S -","- C208 H160 Br8 N8 O32 S8 -","8","1","","Jin, Hongxing; Li, Erqing; Huang, You","Divergent synthesis of hydropyridine derivatives via nitrogen-containing Lewis base mediated regioselective [4 + 2] cyclizations","Organic Chemistry Frontiers","2017","4","11","2216","","10.1039/C7QO00596B","","","0.71073","MoKα","","0.0333","0.0258","","","0.0619","0.0643","","","","","","1.025","","","","has coordinates","236094","2020-10-21","18:00:00",""
"1553850","9.7797","0.001","10.9021","0.0011","14.8619","0.0015","90","","90","","90","","1584.6","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","","Zhao, Wei-Wei; Liu, Yan-Kai","Enantio- and diastereoselective synthesis of tetrahydrofuro[2,3-b]furan-2(3H)-one derivatives and related oxygen heterocycles via an asymmetric organocatalytic cascade process","Organic Chemistry Frontiers","2017","4","12","2358","","10.1039/C7QO00621G","","","0.71073","MoKα","","0.0427","0.034","","","0.086","0.0919","","","","","","1.041","","","","has coordinates","236095","2020-10-21","18:00:00",""
"1553851","9.8074","0.0005","13.2321","0.0005","17.7176","0.0007","100.836","0.003","99.601","0.004","93.264","0.003","2217.36","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H96 Cl6 N6 O10 -","- C100 H96 Cl6 N6 O10 -","- C100 H96 Cl6 N6 O10 -","1","0.5","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.0751","0.0658","","","0.183","0.1934","","","","","","1.018","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553852","8.9041","0.0004","14.0916","0.0007","16.2768","0.0008","104.121","0.004","91.824","0.004","94.954","0.004","1970.23","0.17","150","","150","","","","","","","","","5","P 1","P 1","1","","diisoindole","","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","1","1","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.0527","0.0466","","","0.1245","0.1314","","","","","","1.024","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553853","18.0089","0.0005","19.4187","0.0005","29.7417","0.0007","90.357","0.002","95.539","0.002","107.328","0.002","9875.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","hexaisoindole","","- C202 H249 Cl14 N9 O15 -","- C202 H249 Cl14 N9 O15 -","- C404 H498 Cl28 N18 O30 -","2","1","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.1424","0.1121","","","0.3263","0.3551","","","","","","1.3","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553854","9.9153","0.0002","27.367","0.0005","23.7531","0.0004","90","","93.29","0.002","90","","6434.8","0.2","249.9","","249.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H154 Cl12 N6 O8 -","- C132 H154 Cl12 N6 O8 -","- C264 H308 Cl24 N12 O16 -","2","0.5","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.095","0.0802","","","0.2411","0.2554","","","","","","1.063","","","","has coordinates,has disorder","236096","2020-10-21","18:00:00",""
"1553855","5.1621","0.0006","16.3247","0.0018","20.251","0.002","90","","90","","90","","1706.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O4 S -","- C18 H16 Cl N O4 S -","- C72 H64 Cl4 N4 O16 S4 -","4","1","","Deng, Hua; He, Fu-Sheng; Li, Cong-Shan; Yang, Wu-Lin; Deng, Wei-Ping","Enantioselective construction of tricyclic pyrrolidine-fused benzo[b]thiophene 1,1-dioxide derivatives via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","12","2343","","10.1039/C7QO00640C","","","0.71073","MoKα","","0.0476","0.042","","","0.1066","0.1107","","","","","","1.035","","","","has coordinates","236098","2020-10-21","18:00:00",""
"1553866","8.4885","0.0005","10.6796","0.0006","16.8127","0.0009","74.369","0.004","82.265","0.004","75.011","0.005","1414.37","0.14","296","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C62 H72 N4 O8 -","2","1","","Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols","Organic Chemistry Frontiers","2017","4","12","2465","","10.1039/C7QO00649G","","","1.54178","CuKα","","0.1161","0.075","","","0.1876","0.2188","","","","","","1.011","","","","has coordinates","236104","2020-10-21","18:00:00",""
"1553867","18.5578","0.0009","18.5578","0.0009","9.8682","0.0006","90","","90","","120","","2943.2","0.3","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C23 H20 N O2 -","- C23 H21 N O2 -","- C138 H126 N6 O12 -","6","1","","Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols","Organic Chemistry Frontiers","2017","4","12","2465","","10.1039/C7QO00649G","","","1.54178","CuKα","","0.0543","0.0434","","","0.1186","0.1284","","","","","","1.015","","","","has coordinates","236104","2020-10-21","18:00:00",""
"1553868","6.0777","0.0007","22.245","0.003","11.8606","0.0015","90","","96.163","0.002","90","","1594.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Liu, Xueke; Qian, Ping; Wang, Yi; Pan, Yi","Metal-free sequential decarbonylative annulation of N-cyanamides for the construction of 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ones","Organic Chemistry Frontiers","2017","4","12","2370","","10.1039/C7QO00677B","","","0.71073","MoKα","","0.1128","0.0778","","","0.2365","0.274","","","","","","1.05","","","","has coordinates","236106","2020-10-21","18:00:00",""
"1553869","21.107","0.003","7.3437","0.0011","21.914","0.003","90","","101.993","0.005","90","","3322.6","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C160 H176 N16 O8 -","8","1","","Liu, Xueke; Qian, Ping; Wang, Yi; Pan, Yi","Metal-free sequential decarbonylative annulation of N-cyanamides for the construction of 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ones","Organic Chemistry Frontiers","2017","4","12","2370","","10.1039/C7QO00677B","","","0.71073","MoKα","","0.0959","0.0818","","","0.2146","0.2278","","","","","","1.072","","","","has coordinates","236106","2020-10-21","18:00:00",""
"1553870","7.9044","0.0001","11.5678","0.0002","15.8146","0.0002","90","","98.267","0.001","90","","1431.01","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C62 H76 O18 -","2","1","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.035","0.0337","","","0.0879","0.0896","","","","","","1.03","","","","has coordinates","236108","2020-10-21","18:00:00",""
"1553871","14.6815","0.0001","17.2043","0.0002","23.1115","0.0002","90","","90","","90","","5837.62","0.09","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C248 H304 O72 -","8","2","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.0685","0.0635","","","0.1821","0.1891","","","","","","1.034","","","","has coordinates","236108","2020-10-21","18:00:00",""
"1553875","8.4549","0.0014","13.872","0.002","14.009","0.002","117.552","0.003","101.368","0.004","92.964","0.004","1408.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Br2 N2 O3 S -","- C25 H24 Br2 N2 O3 S -","- C50 H48 Br4 N4 O6 S2 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0839","0.0508","","","0.121","0.1326","","","","","","0.919","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553876","13.823","0.002","11.5473","0.0019","30.267","0.005","90","","98.559","0.006","90","","4777.4","1.3","272","2","272.29","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br2 N3 O6 S2 -","- C44 H45 Br2 N3 O6 S2 -","- C176 H180 Br8 N12 O24 S8 -","4","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.154","0.0663","","","0.1613","0.2048","","","","","","0.941","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553877","11.936","0.0015","13.1209","0.0017","13.8558","0.0016","89.702","0.004","84.883","0.003","66.69","0.003","1983.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 Br N3 O4 S2 -","- C43 H38 Br N3 O4 S2 -","- C86 H76 Br2 N6 O8 S4 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.1209","0.059","","","0.1505","0.1878","","","","","","0.925","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553878","10.688","0.002","10.745","0.002","11.245","0.002","103.535","0.004","94.412","0.004","96.045","0.004","1241.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N2 O2 S -","- C31 H26 N2 O2 S -","- C62 H52 N4 O4 S2 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0744","0.0571","","","0.143","0.1554","","","","","","1.015","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553879","24.816","0.003","10.401","0.0011","16.9512","0.0018","90","","96.192","0.002","90","","4349.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Br N2 O2 S -","- C25 H21 Br N2 O2 S -","- C200 H168 Br8 N16 O16 S8 -","8","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0655","0.0429","","","0.0996","0.1099","","","","","","1.016","","","","has coordinates","236114","2020-10-21","18:00:00",""
"1553881","24.1839","0.0009","31.5567","0.0009","12.6112","0.0003","90","","104.99","0.003","90","","9296.9","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H112 Cl2 N28 O26 -","- C72 H84 N28 O22 -","- C288 H336 N112 O88 -","4","0.5","","Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin","Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril","Organic Chemistry Frontiers","2017","4","12","2422","","10.1039/C7QO00708F","","","0.71073","MoKα","","0.1978","0.1121","","","0.2997","0.347","","","","","","1.005","","","","has coordinates,has disorder","236118","2020-10-21","18:00:00",""
"1553882","12.8381","0.0007","15.6916","0.0009","22.2878","0.0013","92.995","0.002","98.521","0.002","106.862","0.002","4227.9","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H176 Cl6 N52 O50 Sr2 -","- C108 H124 Cl4 N52 O40 Sr2 -","- C108 H124 Cl4 N52 O40 Sr2 -","1","0.5","","Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin","Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril","Organic Chemistry Frontiers","2017","4","12","2422","","10.1039/C7QO00708F","","","0.71073","MoKα","","0.081","0.0615","","","0.1789","0.1905","","","","","","1.014","","","","has coordinates,has disorder","236118","2020-10-21","18:00:00",""
"1554091","23.1475","0.0013","23.1475","0.0013","12.6145","0.0009","90","","90","","90","","6758.9","0.7","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C42 H36 N2 O2 -","- C42 H36 N2 O2 -","- C336 H288 N16 O16 -","8","1","","Mallia, Ajith R.; Hariharan, Mahesh","Self-Assembled Donor‒Acceptor Trefoils: Long-Lived Charge Separated State through Aggregation","The Journal of Physical Chemistry C","2017","121","9","4778","","10.1021/acs.jpcc.6b10765","","","0.71073","MoKα","","0.1729","0.0958","","","0.2612","0.3552","","","","","","1.066","","","","has coordinates","236556","2020-10-21","18:00:00",""
"1554092","11.584","0.002","12.031","0.002","18.156","0.004","90","","96.06","0.03","90","","2516.2","0.8","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.0896","0.0424","","","0.0983","0.1271","","","","","","1.012","","","","has coordinates,has disorder","236559","2020-10-21","18:00:00",""
"1554093","9.65062","0.00013","11.62065","0.00013","19.4417","0.0002","90","","90","","90","","2180.32","0.04","291.25","0.1","291.25","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","x-ray","1.54184","CuKα","","0.0279","0.0258","","","0.065","0.0668","","","","","","1.016","","","","has coordinates","236560","2020-10-21","18:00:00",""
"1554094","9.754","0.002","11.691","0.002","19.628","0.004","90","","90","","90","","2238.3","0.8","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.0544","0.0391","","","0.0796","0.0855","","","","","","0.772","","","","has coordinates","236561","2020-10-21","18:00:00",""
"1554095","16.479","0.003","9.0821","0.0018","15.44","0.003","90","","101.98","0.03","90","","2260.5","0.8","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C104 H92 Br4 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1023","0.0467","","","0.1062","0.1793","","","","","","1.16","","","","has coordinates","236562","2020-10-21","18:00:00",""
"1554096","11.3983","0.0004","11.3983","0.0004","36.807","0.003","90","","90","","90","","4782","0.5","296.15","","296.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C208 H184 Br8 N16 O32 -","8","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.085","0.0432","","","0.0783","0.0906","","","","","","1.071","","","","has coordinates","236564","2020-10-21","18:00:00",""
"1554097","11.4","0.03","19.6","0.05","11.58","0.03","90","","91.95","0.05","90","","2586","12","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1595","0.0858","","","0.2166","0.2591","","","","","","1.028","","","","has coordinates","236566","2020-10-21","18:00:00",""
"1554098","10.863","0.004","11.675","0.004","19.581","0.007","90","","77.94","0.005","90","","2428.6","1.5","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C104 H92 Br4 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1965","0.053","","","0.0867","0.1239","","","","","","0.883","","","","has coordinates","236568","2020-10-21","18:00:00",""
"1554099","11.3202","0.0001","11.3202","0.0001","36.3968","0.0007","90","","90","","90","","4664.14","0.11","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C208 H184 Br8 N16 O32 -","8","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","1.54178","CuKα","","0.0301","0.0269","","","0.061","0.0627","","","","","","1.067","","","","has coordinates","236569","2020-10-21","18:00:00",""
"1554100","11.4015","0.0008","19.6478","0.0015","11.6171","0.0009","90","","91.917","0.003","90","","2600.9","0.3","293.15","","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","2","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","1.54184","CuKα","","0.1014","0.0802","","","0.2143","0.2676","","","","","","1.11","","","","has coordinates","236572","2020-10-21","18:00:00",""
"1554101","11.401","0.005","11.654","0.008","19.628","0.004","90","","96.697","0.006","90","","2590","2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.1773","0.0573","","","0.1146","0.1549","","","","","","0.952","","","","has coordinates","236573","2020-10-21","18:00:00",""
"1554168","16.4259","0.0005","17.1593","0.0004","17.2162","0.0006","76.75","0.003","69.223","0.003","75.674","0.003","4342","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Br2 Cl2 N2 Ni -","- C41 H46 Br2 Cl2 N2 Ni -","- C164 H184 Br8 Cl8 N8 Ni4 -","4","2","","Zhong, Liu; Li, Guiliang; Liang, Guodong; Gao, Haiyang; Wu, Qing","Enhancing Thermal Stability and Living Fashion in α-Diimine‒Nickel-Catalyzed (Co)polymerization of Ethylene and Polar Monomer by Increasing the Steric Bulk of Ligand Backbone","Macromolecules","2017","50","7","2675","","10.1021/acs.macromol.7b00121","","","1.54178","CuKα","","0.0537","0.0457","","","0.1216","0.1291","","","","","","1.024","","","","has coordinates,has disorder","236716","2020-10-21","18:00:00",""
"1554169","26.8702","0.0005","26.8702","0.0005","35.7526","0.0009","90","","90","","120","","22355.3","0.8","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H60 Br2 N2 Ni -","- C48 H60 Br2 N2 Ni -","- C864 H1080 Br36 N36 Ni18 -","18","1","","Zhong, Liu; Li, Guiliang; Liang, Guodong; Gao, Haiyang; Wu, Qing","Enhancing Thermal Stability and Living Fashion in α-Diimine‒Nickel-Catalyzed (Co)polymerization of Ethylene and Polar Monomer by Increasing the Steric Bulk of Ligand Backbone","Macromolecules","2017","50","7","2675","","10.1021/acs.macromol.7b00121","","","1.54178","CuKα","","0.0567","0.0463","","","0.1214","0.132","","","","","","1.023","","","","has coordinates","236718","2020-10-21","18:00:00",""
"1554170","9.447","0.002","15.805","0.005","13.524","0.004","90","","100.792","0.01","90","","1983.6","1","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 N2 O2 Y2 -","- C48 H54 N2 O2 Y2 -","- C96 H108 N4 O4 Y4 -","2","0.5","","Pahl, Philipp; Schwarzenböck, Christina; Herz, Fabian A. D.; Soller, Benedikt S.; Jandl, Christian; Rieger, Bernhard","Core-First Synthesis of Three-Armed Star-Shaped Polymers by Rare Earth Metal-Mediated Group Transfer Polymerization","Macromolecules","2017","50","17","6569","","10.1021/acs.macromol.7b01007","","x-ray","0.71073","MoKα","","0.0435","0.0305","","","0.0699","0.0738","","","","","","1.079","","","","has coordinates,has disorder","236720","2020-10-21","18:00:00",""
"1554171","7.9941","0.0004","19.5986","0.001","23.2344","0.0012","78.1666","0.0018","89.6646","0.0017","88.2859","0.0018","3561.3","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C76 H86 N3 O3 Y3 -","- C76 H86 N3 O3 Y3 -","- C152 H172 N6 O6 Y6 -","2","1","","Pahl, Philipp; Schwarzenböck, Christina; Herz, Fabian A. D.; Soller, Benedikt S.; Jandl, Christian; Rieger, Bernhard","Core-First Synthesis of Three-Armed Star-Shaped Polymers by Rare Earth Metal-Mediated Group Transfer Polymerization","Macromolecules","2017","50","17","6569","","10.1021/acs.macromol.7b01007","","x-ray","0.71073","MoKα","","0.0603","0.05","","","0.1244","0.1313","","","","","","1.033","","","","has coordinates,has disorder","236722","2020-10-21","18:00:00",""
"1555980","11.8603","0.0006","9.4892","0.0004","12.0188","0.0009","90","","118.477","0.008","90","","1188.99","0.15","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N7 O2 -","- C26 H27 N7 O2 -","- C52 H54 N14 O4 -","2","1","","Shiomi, Noriyuki; Yamamoto, Keisuke; Nagasaki, Kazuma; Hatanaka, Tsubasa; Funahashi, Yasuhiro; Nakamura, Shuichi","Enantioselective Oxidative Ring-Opening Reaction of Aziridines with α-Nitroesters Using Cinchona Alkaloid Amide/Nickel(II) Catalysts.","Organic letters","2017","19","1","74","77","10.1021/acs.orglett.6b03346","","","0.71075","MoKα","","0.0818","0.0509","","","0.0835","0.0895","","","","","","1.003","","","","has coordinates","239301","2020-10-21","18:00:00",""
"1555992","8.1158","0.0008","9.2869","0.0009","14.1457","0.0014","86.852","0.001","84.763","0.002","70.523","0.001","1000.62","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong","Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.","Organic letters","2017","19","1","186","189","10.1021/acs.orglett.6b03484","","","0.71073","MoKα","","0.0538","0.0488","","","0.1325","0.1372","","","","","","1.055","","","","has coordinates","239313","2020-10-21","18:00:00",""
"1555993","11.1632","0.0009","11.1632","0.0009","12.0079","0.0019","90","","90","","90","","1496.4","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H13 F N2 -","- C21 H13 F N2 -","- C84 H52 F4 N8 -","4","1","","Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong","Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.","Organic letters","2017","19","1","186","189","10.1021/acs.orglett.6b03484","","","0.71073","MoKα","","0.0568","0.0418","","","0.0867","0.0942","","","","","","1.072","","","","has coordinates","239314","2020-10-21","18:00:00",""
"1555994","10.5667","0.0019","11.1762","0.0016","18.221","0.003","90","","90","","90","","2151.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Br N O2 Si -","- C19 H27 Br N O2 Si -","- C76 H108 Br4 N4 O8 Si4 -","4","1","","Alicea-Matías, Eyleen; Soderquist, John A.","Asymmetric Propargylboration of Aldimines and Ketimines with the Borabicyclo[3.3.2]decanes: Novel Entries to Allenyl Carbinamines, Amino Acids, and Their α-Methyl Counterparts.","Organic letters","2017","19","2","336","339","10.1021/acs.orglett.6b03506","","","0.71073","MoKα","","0.0733","0.0576","","","0.1424","0.1507","","","","","","1.021","","","","has coordinates","239315","2020-10-21","18:00:00",""
"1555996","6.0625","0.0002","19.5089","0.0007","16.3468","0.0006","90","","96.885","0.002","90","","1919.44","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","2","","Wu, Chun-Yan; Yu, Yue-Na; Xu, Ming-Hua","Construction of Chiral Tricyclic Indoles through a Rhodium-Catalyzed Asymmetric Arylation Protocol.","Organic letters","2017","19","2","384","387","10.1021/acs.orglett.6b03585","","","0.71073","MoKα","","0.1211","0.1029","","","0.2877","0.3146","","","","","","0.901","","","","has coordinates,has disorder","239317","2020-10-21","18:00:00",""
"1555997","7.1592","0.0002","9.8482","0.0004","12.3493","0.0005","81.6372","0.0018","83.2218","0.0016","80.227","0.0017","845.03","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.0547","0.0386","","","0.0968","0.11","","","","","","1.028","","","","has coordinates","239318","2020-10-21","18:00:00",""
"1555998","11.696","0.002","9.0705","0.0014","15.811","0.003","90","","102.782","0.006","90","","1635.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 N3 -","- C20 H12 F3 N3 -","- C80 H48 F12 N12 -","4","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.1794","0.0758","","","0.197","0.2593","","","","","","1.012","","","","has coordinates","239319","2020-10-21","18:00:00",""
"1555999","8.4056","0.0003","9.8583","0.0003","10.2022","0.0003","69.4122","0.0016","78.7895","0.0016","71.4852","0.0016","747.18","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Ramakrishna, Isai; Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Advanced Nitroso Aldol Reaction: Metal-Free Cross-Coupling of Anilines with Silyl Enol Ethers en Route to α-Amino Ketones.","Organic letters","2017","19","3","516","519","10.1021/acs.orglett.6b03686","","","0.71073","MoKα","","0.0671","0.0444","","","0.1132","0.1292","","","","","","1.044","","","","has coordinates","239320","2020-10-21","18:00:00",""
"1556000","11.0611","0.0004","6.743","0.0003","13.0444","0.0005","90","","102.392","0.003","90","","950.25","0.07","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C38 H48 N4 O4 S2 -","2","1","","Ma, Peng-Ju; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diastereoselective Electrophilic α-Hydroxyamination of N-tert-Butanesulfinyl Imidates.","Organic letters","2017","19","3","670","673","10.1021/acs.orglett.6b03835","","","0.71073","MoKα","","0.0449","0.0399","","","0.1027","0.1074","","","","","","1.054","","","","has coordinates","239322","2020-10-21","18:00:00",""
"1556001","26.495","0.002","26.495","0.002","25.84","0.002","90","","90","","120","","15709","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C540 H540 N36 O54 -","18","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2316","0.1185","","","0.2862","0.3575","","","","","","0.973","","","","has coordinates,has disorder","239323","2020-10-21","18:00:00",""
"1556002","12.7136","0.0013","19.6481","0.0016","10.0368","0.0013","90","","104.806","0.009","90","","2423.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0837","0.063","","","0.1608","0.1724","","","","","","1.037","","","","has coordinates","239324","2020-10-21","18:00:00",""
"1556003","8.088","0.0009","29.039","0.002","10.3957","0.0012","90","","98.253","0.009","90","","2416.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1285","0.0505","","","0.0941","0.1131","","","","","","0.801","","","","has coordinates","239325","2020-10-21","18:00:00",""
"1556004","9.715","0.0018","11.622","0.002","13.28","0.002","64.317","0.012","86.248","0.015","74.246","0.013","1298.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C56 H52 N4 O6 -","2","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1683","0.077","","","0.1536","0.1859","","","","","","0.901","","","","has coordinates","239326","2020-10-21","18:00:00",""
"1556005","11.5919","0.0007","14.5845","0.0007","13.8674","0.0009","90","","97.872","0.005","90","","2322.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0586","0.0455","","","0.1094","0.1152","","","","","","1.09","","","","has coordinates","239327","2020-10-21","18:00:00",""
"1556006","10.3241","0.001","23.365","0.002","13.7004","0.0014","90","","99.642","0.008","90","","3258.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl2 N2 O5 -","- C34 H36 Cl2 N2 O5 -","- C136 H144 Cl8 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2291","0.1213","","","0.2611","0.3204","","","","","","1.06","","","","has coordinates","239328","2020-10-21","18:00:00",""
"1556007","13.9135","0.0007","11.8443","0.0005","18.4125","0.001","90","","108.518","0.004","90","","2877.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 O5 -","- C33 H34 N2 O5 -","- C132 H136 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.06","0.0471","","","0.1108","0.1166","","","","","","1.101","","","","has coordinates","239329","2020-10-21","18:00:00",""
"1556008","18.4813","0.0006","18.4813","0.0006","16.4257","0.0005","90","","90","","120","","4858.7","0.3","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C29.5 H29 Cl N2 O3 S -","- C29.5 H29 Cl N2 O3 S -","- C177 H174 Cl6 N12 O18 S6 -","6","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0703","0.0655","","","0.1751","0.1788","","","","","","1.088","","","","has coordinates,has disorder","239330","2020-10-21","18:00:00",""
"1556009","9.5688","0.0006","10.3956","0.0004","23.8948","0.0015","90","","96.847","0.005","90","","2359.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0651","0.0476","","","0.1111","0.1187","","","","","","1.032","","","","has coordinates","239331","2020-10-21","18:00:00",""
"1556010","10.9969","0.001","11.8906","0.0011","15.8497","0.0014","90","","106.796","0.001","90","","1984.1","0.3","189","2","189","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0856","0.0592","","","0.0988","0.1082","","","","","","1.097","","","","has coordinates","239332","2020-10-21","18:00:00",""
"1556011","16.2583","0.0008","8.9359","0.0003","19.545","0.001","90","","95.231","0.004","90","","2827.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 O5 -","- C33 H34 N2 O5 -","- C132 H136 N8 O20 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0625","0.0499","","","0.123","0.1294","","","","","","1.07","","","","has coordinates","239333","2020-10-21","18:00:00",""
"1556012","15.2433","0.0013","10.1136","0.0006","14.943","0.0012","90","","94.937","0.007","90","","2295.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0781","0.0509","","","0.107","0.1169","","","","","","1.036","","","","has coordinates","239334","2020-10-21","18:00:00",""
"1556013","7.8226","0.0008","30.639","0.002","10.1141","0.0011","90","","98.682","0.008","90","","2396.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.1216","0.0536","","","0.1089","0.1274","","","","","","0.824","","","","has coordinates","239335","2020-10-21","18:00:00",""
"1556014","8.6571","0.0003","29.45","0.0007","10.2183","0.0003","90","","98.7924","0.0009","90","","2574.56","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","1.54178","CuKα","","0.0513","0.049","","","0.1449","0.1471","","","","","","1.065","","","","has coordinates","239336","2020-10-21","18:00:00",""
"1556015","17.3068","0.0006","12.0144","0.0004","22.5999","0.0007","90","","96.044","0.003","90","","4673.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C208 H240 N16 O24 -","8","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0611","0.0525","","","0.1341","0.1396","","","","","","1.069","","","","has coordinates","239337","2020-10-21","18:00:00",""
"1556016","22.49","0.007","5.1816","0.001","20.19","0.007","90","","90.78","0.03","90","","2352.6","1.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2285","0.1175","","","0.2733","0.348","","","","","","0.911","","","","has coordinates","239338","2020-10-21","18:00:00",""
"1556017","19.7344","0.0013","12.7882","0.0006","20.279","0.0015","90","","97.031","0.006","90","","5079.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C232 H224 N16 O24 S8 -","8","2","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.0983","0.0575","","","0.1276","0.1431","","","","","","1.016","","","","has coordinates,has disorder","239339","2020-10-21","18:00:00",""
"1556018","20.5553","0.0012","9.5675","0.0003","22.2196","0.0014","90","","115.687","0.007","90","","3937.9","0.4","296","2","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H17 Cl O3 -","- C23 H17 Cl O3 -","- C184 H136 Cl8 O24 -","8","2","","Infante, Rebeca; Martin-Alvarez, Jose M; Andrés, Celia; Nieto, Javier","Dimethylzinc-Mediated Addition of Phenylacetylene to α-Diketones Catalyzed by Chiral Perhydro-1,3-benzoxazines.","Organic letters","2017","19","7","1516","1519","10.1021/acs.orglett.7b00252","","x-ray","0.71073","MoKα","","0.1155","0.0655","","","0.1597","0.1859","","","","","","1.029","","","","has coordinates","288075","2023-12-06","14:16:59",""
"1556019","8.4334","0.0007","9.1934","0.0008","16.9142","0.0015","90","","90","","90","","1311.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 3b","compound 3b","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Jin, Yushu; Chen, Ming; Ge, Shaozhong; Hartwig, John F.","Palladium-Catalyzed, Enantioselective α-Arylation of α-Fluorooxindoles.","Organic letters","2017","19","6","1390","1393","10.1021/acs.orglett.7b00294","","","1.54178","CuKα","","0.0444","0.041","","","0.1012","0.1045","","","","","","1.133","","","","has coordinates","239341","2020-10-21","18:00:00",""
"1556020","16.4017","0.0015","7.1335","0.0007","20.0858","0.0018","90","","95.665","0.003","90","","2338.6","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","","Yin, Kun; Zhang, Ronghua","Transition-Metal-Free Direct C-H Arylation of Quinoxalin-2(1H)-ones with Diaryliodonium Salts at Room Temperature.","Organic letters","2017","19","7","1530","1533","10.1021/acs.orglett.7b00310","","","0.71073","MoKα","","0.0639","0.0477","","","0.1171","0.128","","","","","","1.044","","","","has coordinates","239342","2020-10-21","18:00:00",""
"1556021","9.9288","0.0005","26.7988","0.0015","4.7384","0.0002","90","","90","","90","","1260.79","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Yin, Kun; Zhang, Ronghua","Transition-Metal-Free Direct C-H Arylation of Quinoxalin-2(1H)-ones with Diaryliodonium Salts at Room Temperature.","Organic letters","2017","19","7","1530","1533","10.1021/acs.orglett.7b00310","","","0.71073","MoKα","","0.0547","0.0464","","","0.1077","0.1132","","","","","","1.092","","","","has coordinates","239342","2020-10-21","18:00:00",""
"1556022","4.0198","0.0008","13.908","0.003","23.21","0.005","90","","94.2","0.004","90","","1294.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-Promoted Povarov-Type Reaction Using 1,4-Dithane-2,5-diol as an Ethylene Surrogate: Formal [4 + 2] Synthesis of Quinolines.","Organic letters","2017","19","7","1550","1553","10.1021/acs.orglett.7b00361","","","0.71073","MoKα","","0.0848","0.051","","","0.1374","0.1589","","","","","","1.041","","","","has coordinates","239343","2020-10-21","18:00:00",""
"1556023","9.9321","0.0016","22.705","0.004","19.824","0.003","90","","98.538","0.003","90","","4420.9","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N S2 -","- C11 H13 N S2 -","- C176 H208 N16 S32 -","16","8","","Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Gong, Xingxing; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-Promoted Povarov-Type Reaction Using 1,4-Dithane-2,5-diol as an Ethylene Surrogate: Formal [4 + 2] Synthesis of Quinolines.","Organic letters","2017","19","7","1550","1553","10.1021/acs.orglett.7b00361","","","0.71073","MoKα","","0.09","0.045","","","0.0992","0.1208","","","","","","0.974","","","","has coordinates","239344","2020-10-21","18:00:00",""
"1556024","10.4789","0.0009","12.074","0.0011","12.5011","0.0011","92.552","0.007","94.697","0.007","98.319","0.007","1557.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N2 O2 -","- C43 H30 N2 O2 -","- C86 H60 N4 O4 -","2","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.1022","0.0583","","","0.135","0.1667","","","","","","1.027","","","","has coordinates","239345","2020-10-21","18:00:00",""
"1556025","18.5446","0.001","17.7946","0.0009","18.9442","0.001","90","","90","","90","","6251.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C336 H224 N16 O16 -","8","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.0851","0.0537","","","0.1133","0.1301","","","","","","1.046","","","","has coordinates","239346","2020-10-21","18:00:00",""
"1556026","11.0032","0.0009","12.6313","0.001","14.724","0.0012","98.868","0.001","96.16","0.001","102.84","0.001","1950","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H36 Cl2 N4 O S Zn -","- C47 H36 Cl2 N4 O S Zn -","- C94 H72 Cl4 N8 O2 S2 Zn2 -","2","1","","Gholami, Hadi; Zhang, Jun; Anyika, Mercy; Borhan, Babak","Absolute Stereochemical Determination of Asymmetric Sulfoxides via Central to Axial Induction of Chirality.","Organic letters","2017","19","7","1722","1725","10.1021/acs.orglett.7b00495","","","0.71073","MoKα","","0.0545","0.0438","","","0.1078","0.1164","","","","","","1.062","","","","has coordinates,has disorder","239347","2020-10-21","18:00:00",""
"1556027","10.6689","0.001","10.8762","0.001","18.2817","0.0017","83.457","0.001","84.152","0.001","77.519","0.001","2051.2","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H37 N5 O S Zn -","- C51 H37 N5 O S Zn -","- C102 H74 N10 O2 S2 Zn2 -","2","2","","Gholami, Hadi; Zhang, Jun; Anyika, Mercy; Borhan, Babak","Absolute Stereochemical Determination of Asymmetric Sulfoxides via Central to Axial Induction of Chirality.","Organic letters","2017","19","7","1722","1725","10.1021/acs.orglett.7b00495","","","0.71073","MoKα","","0.0517","0.0415","","","0.1007","0.1067","","","","","","0.994","","","","has coordinates","239348","2020-10-21","18:00:00",""
"1556028","9.624","0.004","31.096","0.016","13.229","0.007","90","","91.141","0.01","90","","3958","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H27 Br O2 -","- C32 H27 Br O2 -","- C192 H162 Br6 O12 -","6","3","","Perveen, Saima; Zhao, Zhifei; Zhang, Guoxiang; Liu, Jian; Anwar, Muhammad; Fang, Xinqiang","Enantioselective Synthesis of 1,2-Dihydronaphthalenes via Oxidative N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","10","2470","2473","10.1021/acs.orglett.7b00555","","","0.71073","MoKα","","0.1837","0.107","","","0.1661","0.1981","","","","","","1.151","","","","has coordinates","239349","2020-10-21","18:00:00",""
"1556029","9.9734","0.0002","11.3386","0.0002","15.3837","0.0002","79.9686","0.001","85.4756","0.0011","79.5603","0.0011","1682.69","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C94 H64 O2 -","- C94 H64 O2 -","- C94 H64 O2 -","1","0.5","","Vadehra, Geeta S.; Jiang, Xing; Dotson, Jordan J.; Chu, Gong M.; Garcia-Garibay, Miguel A","High-Yielding and Divergent Paradigm for the Synthesis of D<sub>2h</sub>-Symmetric Octakis-Substituted Pentiptycenequinones.","Organic letters","2017","19","7","1838","1841","10.1021/acs.orglett.7b00606","","","1.54178","CuKα","","0.0517","0.0393","","","0.1013","0.1071","","","","","","1.048","","","","has coordinates","239350","2020-10-21","18:00:00",""
"1556030","11.0167","0.0004","8.4713","0.0003","13.145","0.0005","90","","112.969","0.004","90","","1129.5","0.08","294.16","0.13","294.16","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C48 H52 N4 O12 -","2","1","","Ran, Guang-Yao; Gong, Ming; Yue, Jing-Fei; Yang, Xing-Xing; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun","Asymmetric Cascade Assembly of 1,2-Diaza-1,3-dienes and α,β-Unsaturated Aldehydes via Dienamine Activation.","Organic letters","2017","19","7","1874","1877","10.1021/acs.orglett.7b00636","","x-ray","1.54184","CuKα","","0.0543","0.0529","","","0.1352","0.1376","","","","","","1.037","","","","has coordinates","239351","2020-10-21","18:00:00",""
"1556031","12.0277","0.0005","13.0209","0.0004","8.1447","0.0003","90","","106.121","0.004","90","","1225.4","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-benzoyl-1,1-dioxo-1,2-benzothiazolidine","","- C14 H9 N O3 S -","- C14 H9 N O3 S -","- C56 H36 N4 O12 S4 -","4","1","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","0.71073","MoKα","","0.0499","0.0377","","","0.0823","0.0917","","","","","","1.05","","","","has coordinates","239352","2020-10-21","18:00:00",""
"1556032","7.4865","0.0001","10.7242","0.0002","32.3467","0.0004","90","","90","","90","","2597.01","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","anti-(3R,1'R)-3-(alpha-hydroxybenzyl)-1,1- dioxo-1,2-benzothiazolidine","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","0.71073","MoKα","","0.0519","0.0439","","","0.1134","0.1196","","","","","","1.18","","","","has coordinates","239353","2020-10-21","18:00:00",""
"1556033","9.4952","0.0003","13.78766","0.00017","23.3234","0.0004","90","","90","","90","","3053.42","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(3R,4R)-4-hydroxy-3-phenyl-1,1-dioxo- 2H-1,2-benzothiazinane","","- C14 H12 N O3 S -","- C14 H12 N O3 S -","- C112 H96 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","1.54184","CuKα","","0.0423","0.0403","","","0.1083","0.1107","","","","","","1.035","","","","has coordinates","239354","2020-10-21","18:00:00",""
"1556034","9.4838","0.0003","10.5004","0.0004","21.1264","0.0007","90","","90.868","0.002","90","","2103.6","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O3 Se -","- C24 H24 N2 O3 Se -","- C96 H96 N8 O12 Se4 -","4","1","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles.","Organic letters","2017","19","9","2238","2241","10.1021/acs.orglett.7b00710","","","0.71073","MoKα","","0.0529","0.0328","","","0.0716","0.0793","","","","","","1.015","","","","has coordinates","239355","2020-10-21","18:00:00",""
"1556035","7.7378","0.0003","6.7075","0.0002","12.6395","0.0005","90","","102.323","0.001","90","","640.89","0.04","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N4 O -","- C14 H16 N4 O -","- C28 H32 N8 O2 -","2","0.5","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles.","Organic letters","2017","19","9","2238","2241","10.1021/acs.orglett.7b00710","","","0.71073","MoKα","","0.034","0.0331","","","0.0875","0.0883","","","","","","1.05","","","","has coordinates,has disorder","239356","2020-10-21","18:00:00",""
"1556036","17.0714","0.0011","17.0714","0.0011","17.0714","0.0011","90","","90","","90","","4975.2","0.6","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C28 H44 Cl2 N8 Ni O2 -","- C28 H24 Cl2 N8 Ni O2 -","- C168 H144 Cl12 N48 Ni6 O12 -","6","0.0625","","Zhang, Xingjie; Xia, Aiyou; Chen, Haoyi; Liu, Yuanhong","General and Mild Nickel-Catalyzed Cyanation of Aryl/Heteroaryl Chlorides with Zn(CN)<sub>2</sub>: Key Roles of DMAP.","Organic letters","2017","19","8","2118","2121","10.1021/acs.orglett.7b00732","","","0.71073","MoKα","","0.0577","0.0505","","","0.1387","0.1448","","","","","","1.215","","","","has coordinates","239357","2020-10-21","18:00:00",""
"1556037","6.0965","0.0003","7.8294","0.0003","17.9271","0.0008","90","","96.951","0.002","90","","849.41","0.07","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","","Zhang, Jingfang; Tang, Yuhai; Wei, Wen; Wu, Yong; Li, Yang; Zhang, Junjie; Zheng, Yuansuo; Xu, Silong","Organocatalytic Cloke-Wilson Rearrangement: DABCO-Catalyzed Ring Expansion of Cyclopropyl Ketones to 2,3-Dihydrofurans.","Organic letters","2017","19","12","3043","3046","10.1021/acs.orglett.7b00805","","","0.71073","MoKα","","0.0649","0.0523","","","0.1331","0.1389","","","","","","1.054","","","","has coordinates","239358","2020-10-21","18:00:00",""
"1556038","9.47","0.0019","15.075","0.003","17.824","0.004","90","","90","","90","","2544.6","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O4 Si -","- C26 H34 O4 Si -","- C104 H136 O16 Si4 -","4","1","","Han, Man-Yi; Xie, Xiaoyu; Zhou, Di; Li, Pinhua; Wang, Lei","Organocatalyzed Direct Aldol Reaction of Silyl Glyoxylates for the Synthesis of α-Hydroxysilanes.","Organic letters","2017","19","9","2282","2285","10.1021/acs.orglett.7b00811","","","0.71073","MoKα","","0.0519","0.0423","","","0.1132","0.1225","","","","","","1.047","","","","has coordinates","239359","2020-10-21","18:00:00",""
"1556039","5.8132","0.0014","8.851","0.002","31.166","0.008","90","","90","","90","","1603.6","0.7","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br F3 N O3 -","- C16 H13 Br F3 N O3 -","- C64 H52 Br4 F12 N4 O12 -","4","1","","Wang, Pei; Li, Hong-Feng; Zhao, Jia-Zhen; Du, Zhi-Hong; Da, Chao-Shan","Organocatalytic Enantioselective Cross-Aldol Reaction of o-Hydroxyarylketones and Trifluoromethyl Ketones.","Organic letters","2017","19","10","2634","2637","10.1021/acs.orglett.7b00828","","","0.71073","MoKα","","0.0725","0.045","","","0.0947","0.1037","","","","","","1.004","","","","has coordinates","239360","2020-10-21","18:00:00",""
"1556040","5.5413","0.0001","15.8031","0.0003","45.3572","0.001","90","","90","","90","","3971.92","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C176 H208 O32 S8 -","8","1","","Zhurakovskyi, Oleksandr; Ellis, Sam R.; Thompson, Amber L.; Robertson, Jeremy","Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl Lactone Ireland-Claisen Rearrangement and Transannular (4 + 3)-Cycloaddition of an Azatrimethylenemethane Diyl.","Organic letters","2017","19","8","2174","2177","10.1021/acs.orglett.7b00834","","","0.6889","synchrotron","","0.0456","0.0389","","0.1036","0.0908","0.1036","","","","","","0.9967","","","","has coordinates","239361","2020-10-21","18:00:00",""
"1556041","31.5316","0.001","31.5316","0.001","18.8701","0.0012","90","","90","","90","","18761.4","1.5","100","","100","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C19 H37 Br Cu N3 P2 -","- C19 H37 Br Cu N3 P2 -","- C608 H1184 Br32 Cu32 N96 P64 -","32","2","","Mastalir, Matthias; Pittenauer, Ernst; Stöger, Berthold; Allmaier, Günter; Kirchner, Karl","Three Different Reactions, One Catalyst: A Cu(I) PNP Pincer Complex as Catalyst for C-C and C-N Cross-Couplings.","Organic letters","2017","19","8","2178","2181","10.1021/acs.orglett.7b00857","","x-ray","0.71073","MoKα","","0.0324","0.0228","","","0.0233","0.0243","","","","1.04","1.04","1","","","","has coordinates","239362","2020-10-21","18:00:00",""
"1556042","5.3756","0.00005","8.23448","0.00007","44.3104","0.0004","90","","90","","90","","1961.41","0.03","99.94","0.19","99.94","0.19","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 O S -","- C27 H22 O S -","- C108 H88 O4 S4 -","4","1","","Wang, Zhaobin; Sun, Jianwei","Enantioselective [4 + 2] Cycloaddition of o-Quinone Methides and Vinyl Sulfides: Indirect Access to Generally Substituted Chiral Chromanes.","Organic letters","2017","19","9","2334","2337","10.1021/acs.orglett.7b00867","","x-ray","1.54184","CuKα","","0.0236","0.0232","","","0.0599","0.0602","","","","","","1.002","","","","has coordinates","239363","2020-10-21","18:00:00",""
"1556043","16.1302","0.0011","7.5328","0.0005","12.1195","0.0013","90","","90.161","0.007","90","","1472.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F7 N3 O2 -","- C11 H7 F7 N3 O2 -","- C44 H28 F28 N12 O8 -","4","1","","Wang, Rui; Guan, Wei; Han, Zheng-Bo; Liang, Fushun; Suga, Takeo; Bi, Xihe; Nishide, Hiroyuki","Ambient-Light-Promoted Three-Component Annulation: Synthesis of Perfluoroalkylated Pyrimidines.","Organic letters","2017","19","9","2358","2361","10.1021/acs.orglett.7b00894","","","0.71073","MoKα","","0.1327","0.0745","","","0.2102","0.2647","","","","","","1.03","","","","has coordinates","239364","2020-10-21","18:00:00",""
"1556044","9.5604","0.0006","11.3393","0.0008","12.5938","0.0008","64.094","0.007","79.058","0.005","86.136","0.005","1205.56","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N O7 Si -","- C25 H31 N O7 Si -","- C50 H62 N2 O14 Si2 -","2","1","","Parsons, Philip J.; Jones, Daniel R.; Walsh, Lee J.; Allen, Lewis A. T.; Onwubiko, Ada; Preece, Lewis; Board, Johnathan; White, Andrew J. P.","An Approach to the Core of Lactonamycin.","Organic letters","2017","19","10","2533","2535","10.1021/acs.orglett.7b00902","","","1.54184","CuKα","","0.0667","0.0491","","","0.122","0.1397","","","","","","1.034","","","","has coordinates","239365","2020-10-21","18:00:00",""
"1556045","17.9303","0.0008","6.8625","0.0003","13.4226","0.0006","90","","99.456","0.003","90","","1629.16","0.13","123","","123","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Iwamoto, Hiroaki; Akiyama, Sota; Hayama, Keiichi; Ito, Hajime","Copper(I)-Catalyzed Stereo- and Chemoselective Borylative Radical Cyclization of Alkyl Halides Bearing an Alkene Moiety.","Organic letters","2017","19","10","2614","2617","10.1021/acs.orglett.7b00940","","","1.54187","CuKα","","0.0812","0.0395","","","0.077","0.1104","","","","","","1.17","","","","has coordinates","239366","2020-10-21","18:00:00",""
"1556046","5.541","0.004","15.387","0.012","22.574","0.018","90","","90","","90","","1925","3","120","","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 O S2 -","- C12 H6 O S2 -","- C96 H48 O8 S16 -","8","1","","Mitsudo, Koichi; Kurimoto, Yuji; Mandai, Hiroki; Suga, Seiji","Synthesis of 3-Benzo[b]thienyl 3-Thienyl Ether via an Addition-Elimination Reaction and Its Transformation to an Oxygen-Fused Dithiophene Skeleton: Synthesis and Properties of Benzodithienofuran and Its π-Extended Derivatives.","Organic letters","2017","19","11","2821","2824","10.1021/acs.orglett.7b00969","","","0.71075","MoKα","","0.1429","0.1377","","","0.2094","0.2114","","","","","","1.581","","","","has coordinates","239367","2020-10-21","18:00:00",""
"1556047","8.0471","0.0004","16.3426","0.0008","29.6614","0.0017","90","","90","","90","","3900.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N2 O Rh -","- C19 H26 Cl N2 O Rh -","- C152 H208 Cl8 N16 O8 Rh8 -","8","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.1071","0.097","","","0.2634","0.2881","","","","","","1.085","","","","has coordinates","239368","2020-10-21","18:00:00",""
"1556048","7.58618","0.00009","16.9757","0.0002","15.6843","0.0002","90","","93.0656","0.0011","90","","2016.94","0.04","294.39","0.1","294.39","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N2 O Rh -","- C22 H24 Cl N2 O Rh -","- C88 H96 Cl4 N8 O4 Rh4 -","4","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1379","0.1441","","","","","","1.036","","","","has coordinates","239369","2020-10-21","18:00:00",""
"1556049","12.6554","0.0009","19.7134","0.001","21.0374","0.0011","72.334","0.005","80.809","0.005","82.734","0.005","4919.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H112 Cl2 N10 Ni -","- C116 H105.976 Cl2 N10 Ni -","- C232 H211.952 Cl4 N20 Ni2 -","2","1","","Yin, Bangshao; Kim, Taeyeon; Zhou, Mingbo; Huang, Weiming; Kim, Dongho; Song, Jianxin","Porphyrin-Azobenzene-Bodipy Triads: Syntheses, Structures, and Photophysical Properties.","Organic letters","2017","19","10","2654","2657","10.1021/acs.orglett.7b00988","","","1.54184","CUKα","","0.1047","0.0797","","","0.2283","0.2576","","","","","","1.068","","","","has coordinates,has disorder","239370","2020-10-21","18:00:00",""
"1556050","11.4379","0.0006","12.8956","0.0007","15.0848","0.0008","90","","90","","90","","2225","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 S -","- C27 H23 N O3 S -","- C108 H92 N4 O12 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","","0.71073","MoKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.049","","","","has coordinates","239371","2020-10-21","18:00:00",""
"1556051","8.9355","0.0005","14.869","0.0006","20.8047","0.0011","90","","90","","90","","2764.2","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Cl N O4 S -","- C33 H26 Cl N O4 S -","- C132 H104 Cl4 N4 O16 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","x-ray","0.71073","MoKα","","0.0617","0.0467","","","0.0993","0.1099","","","","","","1.017","","","","has coordinates","239372","2020-10-21","18:00:00",""
"1556052","22.6919","0.0017","27.504","0.002","32.801","0.002","90","","93.8825","0.0019","90","","20425","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C204 H280 N24 O20 S12 -","- C203.999 H279.998 N24 O19.9996 S11.9996 -","- C815.997 H1119.99 N96 O79.9984 S47.9984 -","4","1","","Cholewiak, Agnieszka; Tycz, Agnieszka; Jurczak, Janusz","8-Propyldithieno[3,2-b:2',3'-e]pyridine-3,5-diamine (DITIPIRAM) Derivatives as Neutral Receptors Tailored for Binding of Carboxylates.","Organic letters","2017","19","11","3001","3004","10.1021/acs.orglett.7b01235","","","0.71073","MoKα","","0.0775","0.0518","","","0.1212","0.1365","","","","","","1.069","","","","has coordinates,has disorder","239373","2020-10-21","18:00:00",""
"1556053","21.5482","0.0011","6.1634","0.0003","16.9021","0.0007","90","","111.981","0.003","90","","2081.59","0.18","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","(3S,4S,5S)-benzyl 3-(4-chlorophenyl)-4-formyl- 5-(2-methoxy-2-oxoethyl)-1,2-oxazinane-2-carboxylate","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C88 H88 Cl4 N4 O24 -","4","1","","Drelich, Piotr; Moczulski, Marek; Albrecht, Łukasz","d<sup>0</sup>a<sup>3</sup> Synthon Equivalents for the Stereocontrolled Synthesis of Functionalized 1,4-Amino Alcohol Precursors.","Organic letters","2017","19","12","3143","3146","10.1021/acs.orglett.7b01268","","","1.54178","CuKα","","0.0244","0.0244","","","0.0674","0.0674","","","","","","1.065","","","","has coordinates","239374","2020-10-21","18:00:00",""
"1556054","7.8427","0.0008","22.614","0.002","18.528","0.002","90","","93.229","0.002","90","","3280.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","2","","Wang, Xingyong; Liu, Chulong; Zeng, Xiaobao; Wang, Xuesong; Wang, Xinyan; Hu, Yuefei","Ruthenium-Catalyzed Synthesis of Fused Tricyclic 1H-2,3-Dihydropyrimido[1,2-a]quinolines in One Step.","Organic letters","2017","19","13","3378","3381","10.1021/acs.orglett.7b01330","","","0.71073","MoKα","","0.0805","0.0507","","","0.1264","0.1432","","","","","","1.03","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556055","20.4899","0.0008","9.7314","0.0005","10.0601","0.0005","90","","101.493","0.004","90","","1965.72","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H19 Cl N6 O -","- C19 H19 Cl N6 O -","- C76 H76 Cl4 N24 O4 -","4","1","","Li, Dan; Wang, Kezhou; Wang, Linqing; Wang, Yuan; Wang, Pengxin; Liu, Xin; Yang, Dongxu; Wang, Rui","Magnesium Catalysis Mediated Tetrazoles in Desymmetrization Reaction of Aziridines.","Organic letters","2017","19","12","3211","3214","10.1021/acs.orglett.7b01333","","x-ray","0.71073","MoKα","","0.061","0.0488","","","0.1097","0.1229","","","","","","1.043","","","","has coordinates","239376","2020-10-21","18:00:00",""
"1556056","7.1969","0.0002","9.884","0.0003","38.6328","0.0012","90","","90","","90","","2748.11","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17.5 H14 N2 O1.5 -","- C17.5 H14 N2 O1.5 -","- C140 H112 N16 O12 -","8","2","","Mei, Guang-Jian; Bian, Chen-Yu; Li, Guo-Hao; Xu, Shao-Li; Zheng, Wen-Qin; Shi, Feng","Catalytic Asymmetric Construction of the Tryptanthrin Skeleton via an Enantioselective Decarboxylative [4 + 2] Cyclization.","Organic letters","2017","19","12","3219","3222","10.1021/acs.orglett.7b01336","","","1.54178","CuKα","","0.0436","0.0414","","","0.1059","0.1077","","","","","","1.031","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556057","8.0739","0.0005","10.2485","0.0008","27.568","0.002","90","","90","","90","","2281.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0658","0.0454","","","0.0974","0.1075","","","","","","1.032","","","","has coordinates","239378","2020-10-21","18:00:00",""
"1556058","34.507","0.003","7.3494","0.0006","13.4613","0.0012","90","","110.662","0.01","90","","3194.3","0.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0632","0.0435","","","0.1108","0.1242","","","","","","1.021","","","","has coordinates","239378","2020-10-21","18:00:00",""
"1556059","4.8303","0.0006","9.8898","0.0013","22.174","0.003","99.193","0.005","94.117","0.005","98.243","0.005","1030","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C52 H44 N8 -","2","1","","Nallagangula, Madhu; Namitharan, Kayambu","Copper-Catalyzed Sulfonyl Azide-Alkyne Cycloaddition Reactions: Simultaneous Generation and Trapping of Copper-Triazoles and -Ketenimines for the Synthesis of Triazolopyrimidines.","Organic letters","2017","19","13","3536","3539","10.1021/acs.orglett.7b01500","","","0.71073","MoKα","","0.1509","0.0727","","","0.1864","0.2363","","","","","","1.057","","","","has coordinates","239379","2020-10-21","18:00:00",""
"1556060","9.5791","0.0001","8.5119","0.0001","15.0831","0.0002","90","","100.912","0.0015","90","","1207.58","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O10 Si -","- C20 H34 O10 Si -","- C40 H68 O20 Si2 -","2","1","","Fegheh-Hassanpour, Younes; Arif, Tanzeel; Sintim, Herman O.; Al Mamari, Hamad H.; Hodgson, David M.","Synthesis of (-)-6,7-Dideoxysqualestatin H5 by Carbonyl Ylide Cycloaddition-Rearrangement and Cross-electrophile Coupling.","Organic letters","2017","19","13","3540","3543","10.1021/acs.orglett.7b01513","","","1.54184","CuKα","","0.0249","0.0248","","0.0661","0.066","0.0661","","","","","","1.004","","","","has coordinates","239380","2020-10-21","18:00:00",""
"1556061","10.1616","0.0019","8.0804","0.0016","12.874","0.002","90","","98.272","0.004","90","","1046.1","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C42 H36 Br4 O10 -","2","1","","Zhong, Xingren; Lv, Jian; Luo, Sanzhong","Enantio- and Diastereoselective Cyclopropanation of β,γ-Unsaturated α-Ketoester by a Chiral Phosphate/Indium(III) Complex.","Organic letters","2017","19","12","3331","3334","10.1021/acs.orglett.7b01577","","","0.71073","MoKα","","0.0284","0.0276","","","0.0691","0.0697","","","","","","1.05","","","","has coordinates","239381","2020-10-21","18:00:00",""
"1556062","9.3826","0.0003","13.5881","0.0004","18.663","0.0005","90","","90","","90","","2379.38","0.12","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","1","","Takatori, Kazuhiko; Ota, Shoya; Tendo, Kenta; Matsunaga, Kazuma; Nagasawa, Kokoro; Watanabe, Shinya; Kishida, Atsushi; Kogen, Hiroshi; Nagaoka, Hiroto","Synthesis of Methylenebicyclo[3.2.1]octanol by a Sm(II)-Induced 1,2-Rearrangement Reaction with Ring Expansion of Methylenebicyclo[4.2.0]octanone.","Organic letters","2017","19","14","3763","3766","10.1021/acs.orglett.7b01604","","","1.54187","CuKα","","","0.0488","","","","0.126","","","","","","1.087","","","","has coordinates","239382","2020-10-21","18:00:00",""
"1556063","12.0435","0.0011","8.0033","0.0007","23.937","0.002","90","","102.088","0.003","90","","2256.1","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H38 O4 S Si -","- C19 H38 O4 S Si -","- C76 H152 O16 S4 Si4 -","4","2","","Santalla, Hugo; Faza, Olalla Nieto; Gómez, Generosa; Fall, Yagamare; Silva López, Carlos","From Hydrindane to Decalin: A Mild Transformation through a Dyotropic Ring Expansion.","Organic letters","2017","19","13","3648","3651","10.1021/acs.orglett.7b01621","","","0.71073","MoKα","","0.046","0.0401","","","0.0974","0.101","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556064","8.6959","0.0017","9.773","0.002","8.8762","0.0018","90","","93.14","0.03","90","","753.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Wang, Jie; Wang, Lili; Guo, Shan; Zha, Shanke; Zhu, Jin","Synthesis of 2,3-Benzodiazepines via Rh(III)-Catalyzed C-H Functionalization of N-Boc Hydrazones with Diazoketoesters.","Organic letters","2017","19","13","3640","3643","10.1021/acs.orglett.7b01642","","","1.54178","CuKα","","0.0291","0.0281","","","0.0729","0.0739","","","","","","1.043","","","","has coordinates","239384","2020-10-21","18:00:00",""
"1556065","34.436","0.005","8.0667","0.0012","24.298","0.006","90","","134.486","0.001","90","","4815.3","1.6","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound10a_prime","","","- C15 H18 O -","- C15 H18 O -","- C240 H288 O16 -","16","2","","Su, Naijing; Deng, Tianning; Wink, Donald J.; Driver, Tom G.","Achieving Site Selectivity in Metal-Catalyzed Electron-Rich Carbene Transfer Reactions from N-Tosylhydrazones.","Organic letters","2017","19","15","3990","3993","10.1021/acs.orglett.7b01694","","","0.71073","MoKα","","0.091","0.0536","","","0.1522","0.1727","","","","","","1.047","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556066","6.949","0.0014","21.165","0.004","12.887","0.003","90","","105.15","0.03","90","","1829.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Liu; Chen, Kun; Wu, Wen-Zhen; Wang, Peng-Fei; Song, Hang-Yu; Sun, Hongbin; Wen, Xiaoan; Xu, Qing-Long","Organocatalytic Para-Selective Amination of Phenols with Iminoquinone Monoacetals.","Organic letters","2017","19","14","3823","3826","10.1021/acs.orglett.7b01700","","","0.71073","MoKα","","0.1301","0.065","","","0.1452","0.1778","","","","","","1","","","","has coordinates","239386","2020-10-21","18:00:00",""
"1556067","9.4312","0.0008","11.6729","0.0009","14.7247","0.0011","90","","100.851","0.002","90","","1592.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H37 Br O3 -","- C37 H37 Br O3 -","- C74 H74 Br2 O6 -","2","1","","Liu, Shuai; Lan, Xin-Chan; Chen, Ke; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Ag/Brønsted Acid Co-Catalyzed Spiroketalization of β-Alkynyl Ketones toward Spiro[chromane-2,1'-isochromene] Derivatives.","Organic letters","2017","19","14","3831","3834","10.1021/acs.orglett.7b01705","","","0.71073","MoKα","","0.0831","0.0434","","","0.0734","0.0792","","","","","","1.075","","","","has coordinates","239387","2020-10-21","18:00:00",""
"1556068","8.7223","0.0002","12.0422","0.0003","24.8833","0.0006","90","","92.4013","0.0011","90","","2611.34","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 B N -","- C36 H28 B N -","- C144 H112 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1115","0.0525","","","0.119","0.1567","","","","","","1.08","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556069","13.779","0.0004","10.4066","0.0002","24.1478","0.0006","90","","103.533","0.0009","90","","3366.47","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B N -","- C46 H36 B N -","- C184 H144 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.0938","0.0694","","","0.1787","0.1959","","","","","","1.085","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556070","11.74","0.0008","19.9773","0.0015","15.4637","0.0011","90","","110.826","0.003","90","","3389.8","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 B N -","- C46 H36 B N -","- C184 H144 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.091","0.0565","","","0.1236","0.1395","","","","","","1.128","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556071","10.4947","0.0012","12.3025","0.0011","17.1963","0.0017","90","","95.954","0.004","90","","2208.3","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B N -","- C30 H26 B N -","- C120 H104 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1769","0.0755","","","0.1245","0.1578","","","","","","1.015","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556072","9.1115","0.0005","14.7945","0.0009","16.9449","0.0011","90","","100.664","0.0017","90","","2244.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B N -","- C30 H26 B N -","- C120 H104 B4 N4 -","4","1","","Mellerup, Soren K.; Häfele, Lisa; Lorbach, Andreas; Wang, Xiang; Wang, Suning","Triplet Energy and π-Conjugation Effects on Photoisomerization of Chiral N,C-Chelate Organoborons with PAH Substituents.","Organic letters","2017","19","14","3851","3854","10.1021/acs.orglett.7b01724","","","0.71073","MoKα","","0.1071","0.0526","","","0.1136","0.149","","","","","","1.052","","","","has coordinates","239388","2020-10-21","18:00:00",""
"1556073","11.6927","0.0001","16.4378","0.0001","15.7568","0.0001","90","","108.557","0.001","90","","2871.03","0.04","150","0.1","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","2","","Yin, Guo-Ping; Wu, Ya-Rong; Yang, Ming-Hua; Li, Tian-Xiao; Wang, Xiao-Bing; Zhou, Miao-Miao; Lei, Jian-Li; Kong, Ling-Yi","Citrifurans A-D, Four Dimeric Aromatic Polyketides with New Carbon Skeletons from the Fungus Aspergillus sp.","Organic letters","2017","19","15","4058","4061","10.1021/acs.orglett.7b01823","","","1.54184","CuKα","","0.0644","0.0623","","","0.1943","0.1982","","","","","","1.085","","","","has coordinates,has disorder","239389","2020-10-21","18:00:00",""
"1556074","12.3073","0.0015","18.643","0.002","20.256","0.002","90","","90","","90","","4647.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18.18 N2.18 O2.55 S0.73 -","- C16 H18.1818 N2.18182 O2.54545 S0.727273 -","- C176 H200 N24 O28 S8 -","11","2.75","","Hajra, Saumen; Singha Roy, Somnath; Aziz, Sk Mohammad; Das, Dhiraj","Catalyst-Free ""On-Water"" Regio- and Stereospecific Ring-Opening of Spiroaziridine Oxindole: Enantiopure Synthesis of Unsymmetrical 3,3'-Bisindoles.","Organic letters","2017","19","15","4082","4085","10.1021/acs.orglett.7b01833","","","0.71073","MoKα","","0.1335","0.0704","","","0.1726","0.201","","","","","","0.978","","","","has coordinates","239390","2020-10-21","18:00:00",""
"1556075","8.8357","0.0006","10.6795","0.0006","10.7206","0.0007","63.805","0.001","75.002","0.002","71.138","0.002","850.9","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Mandal, Anup; Sahoo, Harekrishna; Dana, Suman; Baidya, Mahiuddin","Ruthenium(II)-Catalyzed Hydroarylation of Maleimides Using Carboxylic Acids as a Traceless Directing Group.","Organic letters","2017","19","15","4138","4141","10.1021/acs.orglett.7b01964","","","1.54178","CuKα","","0.0527","0.0457","","","0.1237","0.1307","","","","","","1.031","","","","has coordinates","239391","2020-10-21","18:00:00",""
"1556076","10.585","0.00019","9.1046","0.00016","16.2981","0.0003","90","","93.8838","0.0016","90","","1567.08","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Han, Xiang-Lei; Zhou, Chu-Jun; Liu, Xu-Ge; Zhang, Shang-Shi; Wang, Honggen; Li, Qingjiang","Regioselective Synthesis of 5-Aminooxazoles via Cp*Co(III)-Catalyzed Formal [3 + 2] Cycloaddition of N-(Pivaloyloxy)amides with Ynamides.","Organic letters","2017","19","22","6108","6111","10.1021/acs.orglett.7b02959","","x-ray","1.54184","CuKα","","0.0353","0.0328","","","0.0839","0.0864","","","","","","1.0508","","","","has coordinates","239392","2020-10-21","18:00:00",""
"1556077","10.3618","0.00012","9.18131","0.00013","15.6457","0.0002","90","","90.094","0.0012","90","","1488.45","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","","Han, Xiang-Lei; Zhou, Chu-Jun; Liu, Xu-Ge; Zhang, Shang-Shi; Wang, Honggen; Li, Qingjiang","Regioselective Synthesis of 5-Aminooxazoles via Cp*Co(III)-Catalyzed Formal [3 + 2] Cycloaddition of N-(Pivaloyloxy)amides with Ynamides.","Organic letters","2017","19","22","6108","6111","10.1021/acs.orglett.7b02959","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0888","0.0896","","","","","","1.0451","","","","has coordinates","239393","2020-10-21","18:00:00",""
"1556078","10.145","0.006","26.485","0.015","4.785","0.003","90","","90","","90","","1285.7","1.3","293","2","293","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C14 H11 Br F N O -","- C14 H11 Br F N O -","- C56 H44 Br4 F4 N4 O4 -","4","1","","Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Decarbethoxylative Arylation Employing Arynes: A Metal-Free Pathway to Arylfluoroamides.","Organic letters","2017","19","21","6016","6019","10.1021/acs.orglett.7b03072","","","0.71075","MoKα","","0.147","0.0867","","","0.1874","0.2243","","","","","","0.974","","","","has coordinates","239394","2020-10-21","18:00:00",""
"1556486","14.2195","0.0004","11.8504","0.0004","39.8155","0.0013","90","","97.526","0.001","90","","6651.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H112 F48 K8 N8 O8 -","- C104 H112 F48 K8 N8 O8 -","- C208 H224 F96 K16 N16 O16 -","2","0.5","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.0797","0.0453","","","0.1054","0.1185","","","","","","0.989","","","","has coordinates","244978","2020-10-21","18:00:00",""
"1556487","13.9764","0.0004","14.1787","0.0004","16.1077","0.0004","84.831","0.001","81.56","0.001","80.187","0.001","3104.31","0.15","","","","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H64 F24 K4 N4 O4 -","- C48 H64 F24 K4 N4 O4 -","- C96 H128 F48 K8 N8 O8 -","2","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","244979","2020-10-21","18:00:00",""
"1556488","13.5114","0.0014","13.5114","","17.556","0.003","90","","90","","90","","3205","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -4 21 c","P -4 2n","114","","","","- C12 H16 F6 K N O -","- C12 H16 F6 K N O -","- C96 H128 F48 K8 N8 O8 -","8","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.1014","0.0466","","","0.0794","0.0942","","","","","","0.963","","","","has coordinates","244980","2020-10-21","18:00:00",""
"1556489","18.9136","0.0008","10.774","0.0005","24.7556","0.0009","90","","108.265","0.002","90","","4790.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 F24 K4 N4 O4 -","- C32 H48 F24 K4 N4 O4 -","- C128 H192 F96 K16 N16 O16 -","4","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.0681","0.0402","","","0.0968","0.1166","","","","","","1.056","","","","has coordinates,has disorder","244981","2020-10-21","18:00:00",""
"1556490","10.3667","0.0007","18.8628","0.0012","11.387","0.0007","90","","98.15","0.004","90","","2204.2","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H70 Be2 Cl2 O2 Si8 -","- C26 H70 Be2 Cl2 O2 Si8 -","- C52 H140 Be4 Cl4 O4 Si16 -","2","0.5","","Naglav, D.; Tobey, B.; Dzialkowski, K.; Jansen, G.; Wolper, C.; Schulz, S.","Insights into Molecular Beryllium-Silicon Bonds","Inorganics","2017","5","","22","","10.3390/inorganics5020022","","","0.71073","MoKα","","0.1191","0.0564","","","0.1074","0.1242","","","","","","0.997","","","","has coordinates","244982","2020-10-21","18:00:00",""
"1556491","8.1123","0.0004","14.1264","0.0005","24.7662","0.0014","90","","99.36","0.004","90","","2800.4","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Na O3 Si -","- C26 H45 Na O3 Si -","- C104 H180 Na4 O12 Si4 -","4","1","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","","0.71073","MoKα","","0.1562","0.0852","","","0.2044","0.2505","","","","","","0.963","","","","has coordinates","244983","2020-10-21","18:00:00",""
"1556492","10.287","0.002","11.429","0.002","20.495","0.004","90","","90","","90","","2409.6","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 K O2 Si -","- C22 H37 K O2 Si -","- C88 H148 K4 O8 Si4 -","4","1","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","","0.71073","MoKα","","0.0503","0.038","","","0.0872","0.0913","","","","","","0.993","","","","has coordinates,has disorder","244984","2020-10-21","18:00:00",""
"1556493","9.4746","0.0004","14.9924","0.0008","21.7467","0.0008","90","","101.49","0.003","90","","3027.1","0.2","220","","220","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H74 Ca2 I2 O4 Si2 -","- C44 H74 Ca2 I2 O4 Si2 -","- C88 H148 Ca4 I4 O8 Si4 -","2","0.5","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","x-ray","0.71073","MoKα","","0.0636","0.0392","","","0.1089","0.1181","","","","","","0.975","","","","has coordinates","244985","2020-10-21","18:00:00",""
"1556494","18.7343","0.0017","11.6636","0.0008","23.279","0.0018","90","","106.937","0.002","90","","4866","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H64 Mg N2 P2 -","- C53 H64 Mg N2 P2 -","- C212 H256 Mg4 N8 P8 -","4","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.71075","MoKα","","0.0504","0.0406","","","0.108","0.1149","","","","","","1.022","","","","has coordinates","244986","2020-10-21","18:00:00",""
"1556495","20.547","0.004","22.5","0.005","22","0.004","90","","90.34","0.03","90","","10171","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H132 Mg2 N4 P4 -","- C122 H132 Mg2 N4 P4 -","- C488 H528 Mg8 N16 P16 -","4","0.5","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7107","synchrotron","","0.0894","0.0554","","","0.1248","0.1406","","","","","","1.02","","","","has coordinates,has disorder","244987","2020-10-21","18:00:00",""
"1556496","13.149","0.003","18.972","0.004","17.427","0.004","90","","99.58","0.03","90","","4286.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Al N2 P2 -","- C49 H57 Al N2 P2 -","- C196 H228 Al4 N8 P8 -","4","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.71073","synchrotron","","0.0408","0.0384","","","0.0994","0.1021","","","","","","1.048","","","","has coordinates","244988","2020-10-21","18:00:00",""
"1556497","19.08","0.004","34.382","0.007","16.79","0.003","90","","90.56","0.03","90","","11014","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H144 Mg2 N4 P4 -","- C110 H120 Mg2 N4 P4 -","- C440 H480 Mg8 N16 P16 -","4","0.5","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7108","synchrotron","","0.0495","0.0445","","","0.1141","0.1184","","","","","","1.051","","","","has coordinates","244989","2020-10-21","18:00:00",""
"1556498","13.51","0.003","14.4","0.003","29.43","0.006","100.84","0.03","100.81","0.03","100.62","0.03","5379","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H140 Mg2 N4 O4 P4 -","- C98 H108 Mg2 N4 P4 -","- C196 H216 Mg4 N8 P8 -","2","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7108","synchrotron","","0.1198","0.0779","","","0.2065","0.228","","","","","","1.001","","","","has coordinates","244990","2020-10-21","18:00:00",""
"1556499","12.3641","0.0012","16.3858","0.0016","15.4945","0.0015","90","","90","","90","","3139.1","0.5","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dipp KetoImine","2-(2,6-diisopropylphenyl)pent-2-en-4-one","","- C17 H25 N O -","- C17 H25 N O -","- C136 H200 N8 O8 -","8","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0668","0.0428","","","0.1039","0.1201","","","","","","1.032","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556500","10.0068","0.0006","9.8961","0.0006","12.7933","0.0008","90","","99.138","0.001","90","","1250.82","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,4,6-trimethylphenyl)pent-2-en-4-one","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0554","0.0462","","","0.1263","0.1349","","","","","","1.047","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556501","6.7423","0.0004","13.9706","0.0008","18.0631","0.001","90","","90","","90","","1701.44","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dipp-Me-KetoImine","2-(2,6-diisopropylphenyl)-3-methylpent-2-en-4-one","","- C18 H27 N O -","- C18 H27 N O -","- C72 H108 N4 O4 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0454","0.0407","","","0.1129","0.1172","","","","","","1.031","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556502","18.8762","0.0017","8.0097","0.0007","19.0037","0.0017","90","","107.543","0.001","90","","2739.6","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mes KetoImine","2-(2,4,6-trimethylphenylamino)-3-methylpent-2-en-4-one","","- C15 H21 N O -","- C15 H21 N O -","- C120 H168 N8 O8 -","8","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0591","0.0465","","","0.1294","0.1402","","","","","","1.053","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556503","9.406","0.0008","10.7931","0.0009","11.9959","0.001","69.04","0.001","73.616","0.001","67.016","0.001","1032.5","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","lithio 2-(2,6-triisopropylphenylamino)pent-2-en-4-one dimer thf adduct","","- C42 H64 Li2 N2 O4 -","- C42 H64 Li2 N2 O4 -","- C42 H64 Li2 N2 O4 -","1","0.5","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0695","0.0464","","","0.1144","0.1274","","","","","","1.035","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556504","8.0148","0.0005","15.0628","0.0009","14.5918","0.0009","90","","103.855","0.001","90","","1710.35","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","lithio 2-(2,4,6-trimethylphenylamino)pent-2-en-4-one dimer thf adduct","","- C36 H52 Li2 N2 O4 -","- C36 H52 Li2 N2 O4 -","- C72 H104 Li4 N4 O8 -","2","0.5","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0793","0.0495","","","0.1236","0.1409","","","","","","1.025","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556505","20.843","0.005","10.495","0.002","21.365","0.005","90","","112.886","0.002","90","","4305.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","lithio 2-(2,6-diisopropylphenylamino)-3-methylpent-2-en-4-one dimer thf adduct","","- C44 H68 Li2 N2 O4 -","- C44 H68 Li2 N2 O4 -","- C176 H272 Li8 N8 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0589","0.0453","","","0.1184","0.1285","","","","","","1.03","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556506","13.753","0.0009","18.3062","0.0013","24.0904","0.0017","90","","90","","90","","6065.1","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tetrakis(lithio 2-(2,4,6-trimethylphenylamino)pent-2-en-4-one)","","- C63 H80 Li4 N4 O4 -","- C63 H80 Li4 N4 O4 -","- C252 H320 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0507","0.0386","","","0.099","0.1077","","","","","","1.039","","","","has coordinates,has disorder","244994","2020-10-21","18:00:00",""
"1556507","14.3398","0.0014","27.504","0.003","19.8735","0.0019","90","","107.487","0.001","90","","7475.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis lithio 2-(2,6-diisopropylphenylamino)-3-methylpent -2-en-4-one","","- C72 H104 Li4 N4 O4 -","- C72 H104 Li4 N4 O4 -","- C288 H416 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.1168","0.0654","","","0.1563","0.1786","","","","","","0.985","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556508","13.0543","0.0011","26.647","0.002","16.4965","0.0014","90","","91.218","0.001","90","","5737.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis lithio 2-(2,4,6-trimethylphenylamino)-3-methylpent -2-en-4-one","","- C60 H80 Li4 N4 O4 -","- C60 H80 Li4 N4 O4 -","- C240 H320 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.094","0.0532","","","0.1268","0.1478","","","","","","1.011","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556509","8.9827","0.0002","23.6098","0.0006","22.1855","0.0005","90","","90.818","0.001","90","","4704.62","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 I Mg N3 O -","- C49 H62 I Mg N3 O -","- C196 H248 I4 Mg4 N12 O4 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0723","0.0363","","","0.0835","0.0938","","","","","","0.929","","","","has coordinates,has disorder","244995","2020-10-21","18:00:00",""
"1556510","19.848","0.004","9.373","0.002","23.033","0.004","90","","90.386","0.014","90","","4284.9","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 I Mg N3 O -","- C48 H52 I Mg N3 O -","- C192 H208 I4 Mg4 N12 O4 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0545","0.0359","","","0.0858","0.0897","","","","","","0.886","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556511","20.4142","0.0004","22.2202","0.0004","39.3523","0.0007","90","","90","","90","","17850.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H104 I4 Mg3 N6 -","- C90 H104 I4 Mg3 N6 -","- C720 H832 I32 Mg24 N48 -","8","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.2154","0.0411","","","0.047","0.0665","","","","","","0.653","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556512","16.9933","0.0005","17.5771","0.0005","17.8005","0.0005","93.427","0.002","99.534","0.002","109.991","0.002","4888.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","'Tetra-μ-iodo-bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))trimagnesium'","","- C88 H84 I4 Mg3 N6 -","- C88 H84 I4 Mg3 N6 -","- C176 H168 I8 Mg6 N12 -","2","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0876","0.0674","","","0.1305","0.1344","","","","","","1.921","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556513","15.0589","0.0012","13.0937","0.001","20.3232","0.0016","90","","99.013","0.003","90","","3957.8","0.5","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","'Bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))magnesium n-heptane solvate'","","- C47.5 H50 Mg0.5 N3 -","- C47.5 H50 Mg0.5 N3 -","- C190 H200 Mg2 N12 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.179","0.0665","","","0.1457","0.1882","","","","","","0.885","","","","has coordinates,has disorder","244995","2020-10-21","18:00:00",""
"1556514","13.302","0.002","21.531","0.003","24.332","0.004","90","","101.877","0.012","90","","6819.6","1.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H84 Mg N6 -","- C81.5 H84 Mg N6 -","- C326 H336 Mg4 N24 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.1066","0.0435","","","0.0887","0.0981","","","","","","0.727","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556515","9.493","0.0009","9.9165","0.0009","16.7191","0.0014","90","","92.527","0.002","90","","1572.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 Li O Si2 -","- C11 H27 Li O Si2 -","- C44 H108 Li4 O4 Si8 -","4","1","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.0428","0.032","","","0.0898","0.0964","","","","","","1.042","","","","has coordinates,has disorder","244996","2020-10-21","18:00:00",""
"1556516","18.7636","0.0008","13.2303","0.0005","17.7299","0.0007","90","","112.04","0.002","90","","4079.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 Li N2 Si2 -","- C13 H35 Li N2 Si2 -","- C104 H280 Li8 N16 Si16 -","8","2","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.1013","0.0449","","","0.0964","0.1112","","","","","","0.886","","","","has coordinates,has disorder","244997","2020-10-21","18:00:00",""
"1556517","11.347","0.0019","9.7379","0.0017","14.622","0.002","90","","90.876","0.005","90","","1615.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 Na O Si2 -","- C11 H27 Na O Si2 -","- C44 H108 Na4 O4 Si8 -","4","1","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.1539","0.069","","","0.1572","0.1894","","","","","","0.891","","","","has coordinates","244998","2020-10-21","18:00:00",""
"1556518","10.45","0.004","17.414","0.006","14.258","0.005","90","","100.824","0.009","90","","2548.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H86 N6 Na2 Si4 -","- C32 H86 N6 Na2 Si4 -","- C64 H172 N12 Na4 Si8 -","2","0.5","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.0932","0.0441","","","0.103","0.1193","","","","","","0.916","","","","has coordinates,has disorder","282761","2023-04-20","06:46:04",""
"1556519","11.5777","0.0007","13.6154","0.0004","13.9687","0.0011","66.134","0.008","84.758","0.012","65.272","0.009","1821","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.0567","0.0481","","","0.1185","0.1309","","","","","","1.115","","","","has coordinates","245007","2020-10-21","18:00:00",""
"1556520","11.4218","0.0011","13.7207","0.0006","13.8041","0.0017","67.123","0.012","84.938","0.018","65.324","0.014","1804","0.4","25","","25","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.0646","0.0553","","","0.1154","0.1231","","","","","","1.076","","","","has coordinates","245008","2020-10-21","18:00:00",""
"1556521","11.7638","0.0006","13.5893","0.0005","14.1","0.001","65.962","0.011","85.184","0.014","65.815","0.009","1868.6","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.06","0.0468","","","0.1228","0.1427","","","","","","1.062","","","","has coordinates","245009","2020-10-21","18:00:00",""
"1556522","9.3874","0.0002","9.8339","0.0002","12.0913","0.0002","69.669","0.001","70.888","0.001","76.465","0.001","979.82","0.03","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Au Cl N3 O2 -","- C20 H19 Au Cl N3 O2 -","- C40 H38 Au2 Cl2 N6 O4 -","2","1","","Lanoe, P.-H.; Najjari, B.; Hallez, F.; Gontard, G.; Amouri, H.","N-Heterocyclic Carbene Coinage Metal Complexes Containing Naphthalimide Chromophore: Design, Structure, and Photophysical Properties","Inorganics","2017","5","","58","","10.3390/inorganics5030058","","","0.71073","MoKα","","0.024","0.0209","","","0.0508","0.052","","","","","","1.089","","","","has coordinates","245010","2020-10-21","18:00:00",""
"1556523","11.388","0.0004","11.8845","0.0004","15.3829","0.0005","75.0794","0.0012","75.9749","0.0013","84.3937","0.0013","1950.38","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H78 F12 Mn4 N8 O12 P2 -","- C76 H78 F12 Mn4 N8 O12 P2 -","- C76 H78 F12 Mn4 N8 O12 P2 -","1","0.5","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.0414","0.0319","","","0.078","0.0828","","","","","","1.022","","","","has coordinates,has disorder","245011","2020-10-21","18:00:00",""
"1556524","14.2002","0.0009","15.7993","0.0009","18.047","0.0011","84.638","0.003","82.694","0.004","65.057","0.003","3637.9","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H64 Mn2 N11 O18 P Re -","- C67 H64 Mn2 N11 O18 P Re -","- C134 H128 Mn4 N22 O36 P2 Re2 -","2","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.0495","0.0394","","","0.0944","0.0978","","","","","","1.12","","","","has coordinates","245012","2020-10-21","18:00:00",""
"1556525","13.813","0.0003","15.0609","0.0003","30.1361","0.0007","94.447","0.001","93.223","0.001","94.144","0.001","6222.1","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","1","0.5","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.1131","0.057","","","0.1131","0.1331","","","","","","0.978","","","","has coordinates,has disorder","245013","2020-10-21","18:00:00",""
"1556526","23.738","0.0007","20.5122","0.0006","29.8804","0.0009","90","","93.37","0.002","90","","14524.2","0.7","298","","298","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C133 H160 F12 Mn6 N19 O20 P2 Re -","- C133 H152 F12 Mn6 N19 O20 P2 Re -","- C532 H608 F48 Mn24 N76 O80 P8 Re4 -","4","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","1.54178","CuKα","","0.1664","0.1082","","","0.1959","0.225","","","","","","1.075","","","","has coordinates","245014","2020-10-21","18:00:00",""
"1556527","15.9891","0.0018","27.544","0.003","21.779","0.002","90","","108.762","0.004","90","","9081.9","1.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H100 B2 Mn2 N10 O11 -","- C96 H100 B2 Mn2 N10 O11 -","- C384 H400 B8 Mn8 N40 O44 -","4","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.1189","0.0563","","","0.1282","0.1556","","","","","","1.021","","","","has coordinates,has disorder","245015","2020-10-21","18:00:00",""
"1556528","11.3421","0.0005","15.3291","0.0007","36.7355","0.0018","90","","90","","90","","6387","0.5","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}iron(II) tetrafluoroborate‒acetonitrile(2/3)","","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C192 H228 B16 F64 Fe8 N84 P8 S8 -","8","2","","Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.","Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands","Inorganics","2017","5","","60","","10.3390/inorganics5030060","","x-ray","0.71073","MoKα","","0.081","0.0578","","","0.1078","0.118","","","","","","1.018","","","","has coordinates,has disorder","245016","2020-10-21","18:00:00",""
"1556529","9.0934","0.0012","31.653","0.003","16.281","0.002","90","","136.39","0.03","90","","3232.3","1.9","150.05","0.1","150.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}zinc(II) perchlorate‒acetonitrile(2/3)","","- C24 H28.5 Cl2 N10.5 O8 P S Zn -","- C24 H28.5 Cl2 N10.5 O8 P S Zn -","- C96 H114 Cl8 N42 O32 P4 S4 Zn4 -","4","1","","Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.","Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands","Inorganics","2017","5","","60","","10.3390/inorganics5030060","","x-ray","0.71073","MoKα","","0.082","0.0699","","","0.1606","0.168","","","","","","1.109","","","","has coordinates,has disorder","245017","2020-10-21","18:00:00",""
"1556530","9.602","0.0007","18.9796","0.0014","23.8123","0.0018","90","","90","","90","","4339.6","0.6","173","0.2","173","0.2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H32 Fe N6 S2 -","- C50 H32 Fe N6 S2 -","- C200 H128 Fe4 N24 S8 -","4","0.25","","Iwai, S.; Yoshinami, K.; Nakashima, S.","Structure and Spin State of Iron(II) Assembled Complexes Using 9,10-Bis(4-pyridyl)anthracene as Bridging Ligand","Inorganics","2017","5","","61","","10.3390/inorganics5030061","","","0.71073","MoKa","","0.0711","0.0597","","","0.1666","0.1786","","","","","","0.907","","","","has coordinates","245018","2020-10-21","18:00:00",""
"1556531","13.837","0.003","13.855","0.003","20.684","0.004","77.43","0.03","77.58","0.03","86.73","0.03","3779.5","1.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B4 F16 Fe2 N20 O3 -","- C64 H54 B4 F16 Fe2 N20 O3 -","- C128 H108 B8 F32 Fe4 N40 O6 -","2","1","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.0873","0.0691","","","0.1966","0.2111","","","","","","1.071","","","","has coordinates,has disorder","245019","2020-10-21","18:00:00",""
"1556532","21.131","0.004","17.391","0.004","21.069","0.004","90","","107","0.03","90","","7404","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H57 B4 F16 Fe2 N19.5 -","- C65 H57 B4 F16 Fe2 N19.5 -","- C260 H228 B16 F64 Fe8 N78 -","4","0.5","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.1371","0.1035","","","0.293","0.322","","","","","","1.096","","","","has coordinates,has disorder","245020","2020-10-21","18:00:00",""
"1556533","9.521","0.0019","16.723","0.003","23.621","0.005","95.29","0.03","100.29","0.03","92.93","0.03","3675.9","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B4 F15.5 Fe2 N20 S3 -","- C64 H54 B4 F15.5 Fe2 N20 S3 -","- C128 H108 B8 F31 Fe4 N40 S6 -","2","1","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.1389","0.1086","","","0.2905","0.3308","","","","","","1.138","","","","has coordinates,has disorder","245021","2020-10-21","18:00:00",""
"1556545","11.5359","0.0016","6.7079","0.0009","10.1493","0.0013","90","","115.83","0.004","90","","706.9","0.17","100","2","100","2","","","","","","","synthetical product","4","P 1 21/c 1","-P 2ybc","14","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","","- C10 H22 O5 Si2 -","- C10 H22 O5 Si2 -","- C20 H44 O10 Si4 -","2","0.5","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0413","0.0326","","","0.0829","0.0873","","","","","","1.095","","","","has coordinates,has disorder","245046","2020-10-21","18:00:00",""
"1556546","10.1476","0.0005","20.7484","0.001","6.7022","0.0003","90","","90","","90","","1411.12","0.12","100","2","100","2","","","","","","","synthetical product","4","C m c e","-C 2ac 2","64","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","","- C10 H22 O5 Si2 -","- C10 H22 O5 Si2 -","- C40 H88 O20 Si8 -","4","0.25","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0372","0.0344","","","0.0867","0.0903","","","","","","1.159","","","","has coordinates,has disorder","245046","2020-10-21","18:00:00",""
"1556547","16.2855","0.0008","22.346","0.0011","19.6563","0.0009","90","","90","","90","","7153.2","0.6","100","2","100","2","","","","","","","synthetical product","4","C c c a :2","-C 2a 2ac","68","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","","- C30 H54 O9 Si6 -","- C30 H54 O9 Si6 -","- C240 H432 O72 Si48 -","8","0.5","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0533","0.0378","","","0.0994","0.1049","","","","","","1.052","","","","has coordinates","245046","2020-10-21","18:00:00",""
"1556548","21.594","0.003","27.753","0.004","23.938","0.003","90","","93.631","0.003","90","","14317","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H45 Cl2 F18 N3 P4 Ru -","- C69 H45 Cl2 F18 N3 P4 Ru -","- C552 H360 Cl16 F144 N24 P32 Ru8 -","8","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.1275","0.0715","","","0.1777","0.1975","","","","","","1.053","","","","has coordinates","245047","2020-10-21","18:00:00",""
"1556549","14.2851","0.0006","18.909","0.0008","29.8721","0.0012","90","","97.011","0.002","90","","8008.6","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 F18 N5 P4 Ru -","- C69 H45 F18 N5 P4 Ru -","- C276 H180 F72 N20 P16 Ru4 -","4","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.088","0.0666","","","0.1867","0.2002","","","","","","1.436","","","","has coordinates","245048","2020-10-21","18:00:00",""
"1556550","19.1879","0.0009","18.1604","0.0008","19.7879","0.0009","90","","91.012","0.002","90","","6894.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 Cl6 N3 P4 Ru -","- C65 H55 Cl6 N3 P4 Ru -","- C260 H220 Cl24 N12 P16 Ru4 -","4","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.0505","0.0412","","","0.1353","0.1435","","","","","","1.134","","","","has coordinates","245049","2020-10-21","18:00:00",""
"1556551","20.526","0.0016","10.367","0.0006","17.0858","0.001","90","","90","","90","","3635.7","0.4","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H39 I Ni P3 -","- C41 H39 I Ni P3 -","- C164 H156 I4 Ni4 P12 -","4","1","","Iffland, L.; Petuker, A.; Van Gastel, M.; Apfel, U.-P.","Mechanistic Implications for the Ni(I)-Catalyzed Kumada Cross-Coupling Reaction","Inorganics","2017","5","","78","","10.3390/inorganics5040078","","","0.71073","MoKα","","0.2132","0.0787","","","0.1646","0.2167","","","","","","0.941","","","","has coordinates","245050","2020-10-21","18:00:00",""
"1556552","10.337","0.006","10.816","0.006","12.119","0.007","72.216","0.016","84.13","0.02","69.554","0.017","1208.9","1.2","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C31.5 H27 O2.5 -","- C31.5 H27 O2.5 -","- C63 H54 O5 -","2","1","","Nguyen, H.N.; Tashima, N.; Ikariya, T.; Kuwata, S.","Ruthenium-Catalyzed Dimerization of 1,1-Diphenylpropargyl Alcohol to a Hydroxybenzocyclobutene and Related Reactions","Inorganics","2017","5","","80","","10.3390/inorganics5040080","","","0.71075","MoKα","","0.062","0.051","","","0.1383","0.1477","","","","","","0.98","","","","has coordinates,has disorder","245051","2020-10-21","18:00:00",""
"1556553","17.089","0.004","12.512","0.003","20.001","0.004","90","","107.378","0.002","90","","4081.4","1.6","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H50 O3 Ru -","- C55 H50 O3 Ru -","- C220 H200 O12 Ru4 -","4","1","","Nguyen, H.N.; Tashima, N.; Ikariya, T.; Kuwata, S.","Ruthenium-Catalyzed Dimerization of 1,1-Diphenylpropargyl Alcohol to a Hydroxybenzocyclobutene and Related Reactions","Inorganics","2017","5","","80","","10.3390/inorganics5040080","","","0.71075","MoKα","","0.0392","0.0332","","","0.0774","0.0795","","","","","","1.359","","","","has coordinates","245051","2020-10-21","18:00:00",""
"1556554","10.8179","0.0006","22.0783","0.0012","22.8654","0.0012","90","","92.1391","0.0012","90","","5457.4","0.5","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H78 N4 Pd4 Si3 -","- C41.5 H78 N4 Pd4 Si3 -","- C166 H312 N16 Pd16 Si12 -","4","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","MoKα","","0.0537","0.0516","","","0.1496","0.1518","","","","","","1.101","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556555","14.505","0.003","15.339","0.004","15.655","0.004","89.593","0.012","63.724","0.006","81.301","0.011","3080.2","1.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H100 N6 Pd4 Si3 -","- C51 H100 N6 Pd4 Si3 -","- C102 H200 N12 Pd8 Si6 -","2","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","MoKα","","0.0585","0.0439","","","0.0933","0.1016","","","","","","1.076","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556556","11.2891","0.0018","12.711","0.002","19.549","0.003","81.516","0.006","85.854","0.006","64.096","0.005","2495.6","0.7","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H75 O9 P3 Pd3 Si3 -","- C38.5 H75 O9 P3 Pd3 Si3 -","- C77 H150 O18 P6 Pd6 Si6 -","2","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","synchrotron","","0.0523","0.037","","","0.0774","0.083","","","","","","1.023","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556557","13.4778","0.0017","15.173","0.002","17.57","0.002","90","","90","","90","","3593","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Cl2 N4 Zn -","- C13 H28 Cl2 N4 Zn -","- C104 H224 Cl16 N32 Zn8 -","8","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0579","0.0438","","","0.0888","0.0942","","","","","","0.946","","","","has coordinates","245053","2020-10-21","18:00:00",""
"1556558","9.4718","0.0016","18.095","0.003","10.1331","0.0018","90","","103.908","0.003","90","","1685.8","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Cl2 N4 Zn -","- C13 H26 Cl2 N4 Zn -","- C52 H104 Cl8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.06","0.0434","","","0.0885","0.0942","","","","","","0.985","","","","has coordinates","245054","2020-10-21","18:00:00",""
"1556559","9.2972","0.0019","14.257","0.003","13.2","0.003","90","","101.844","0.003","90","","1712.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Br2 N4 Zn -","- C13 H26 Br2 N4 Zn -","- C52 H104 Br8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0519","0.0455","","","0.1129","0.1164","","","","","","1.027","","","","has coordinates","245055","2020-10-21","18:00:00",""
"1556747","4.0922","0.001","4.0922","0.001","20.459","0.009","90","","90","","120","","296.71","0.17","99.98","0.12","99.98","0.12","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.946 Se -","- Cu11.676 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.0631","0.0631","","","0.1522","0.1522","","","","","","1.29","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556748","4.1227","0.0008","4.1227","0.0008","20.449","0.006","90","","90","","120","","301","0.12","295","","295","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","alpha-Cu2-xSe","","- Cu1.95 Se -","- Cu1.946 Se -","- Cu11.676 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0605","0.0593","","","0.1562","0.1575","","","","","","1.217","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556749","4.1299","0.0008","4.1299","0.0008","20.393","0.006","90","","90","","120","","301.22","0.12","355","0.1","355","0.1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0895","0.0867","","","0.2414","0.2452","","","","","","1.252","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556750","4.1323","0.001","4.1323","0.001","20.358","0.009","90","","90","","120","","301.06","0.17","364.97","0.13","364.97","0.13","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.1027","0.1004","","","0.2758","0.2778","","","","","","1.389","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556751","4.1327","0.0007","4.1327","0.0007","20.281","0.005","90","","90","","120","","299.98","0.1","372","0.1","372","0.1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.1009","0.0995","","","0.2864","0.2875","","","","","","1.429","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556752","5.8449","0.0002","5.8449","0.0002","5.8449","0.0002","90","","90","","90","","199.678","0.012","379.99","0.13","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu1.95 Se -","- Cu1.948 Se -","- Cu7.792 Se4 -","4","0.0208333","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0484","0.0484","","","0.1062","0.1062","","","","","","1.354","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556753","5.8538","0.0003","5.8538","0.0003","5.8538","0.0003","90","","90","","90","","200.592","0.018","400","0.11","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu1.94 Se -","- Cu1.948 Se -","- Cu7.792 Se4 -","4","0.0208333","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0425","0.0425","","","0.087","0.087","","","","","","1.292","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556754","4.1017","0.001","4.1017","0.001","20.42","0.007","90","","90","","120","","297.52","0.14","104","6","104","6","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.77 Se -","- Cu1.765 Se -","- Cu10.59 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.0746","0.0746","","","0.2162","0.2162","","","","","","1.348","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556755","4.1019","0.0016","4.1019","0.0016","20.533","0.009","90","","90","","120","","299.2","0.2","99.99","0.14","99.99","0.14","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.89 Se -","- Cu1.889 Se -","- Cu11.334 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.086","0.0791","","","0.1837","0.1916","","","","","","1.07","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556848","14.4124","0.0007","14.9172","0.0006","15.1412","0.0006","90","","100.377","0.001","90","","3202","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C128 H160 N16 O16 S8 -","8","2","HB4170","R, Shashi; Begum, Noor Shahina","Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2017","2","10","x171440","","10.1107/S2414314617014407","","","0.71073","MoKα","","0.0767","0.0494","","","0.1235","0.1464","","","","","","0.782","","","","has coordinates,has disorder,has Fobs","246296","2020-10-21","18:00:00",""
"1559271","35.83","0.002","14.292","0.009","11.057","0.006","90","","90","","90","","5662","5","194","2","194","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","","- C25 H29 Cl3 N4 Si Zr -","- C25 H29 Cl3 N4 Si Zr -","- C200 H232 Cl24 N32 Si8 Zr8 -","8","2","ZQ4018","Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","IUCrData","2017","2","3","x170380","","10.1107/S2414314617003807","","","0.71073","MoKα","","0.1377","0.0662","","","0.1429","0.1937","","","","","","1.004","","","","has coordinates,has Fobs","257225","2020-10-21","18:00:00",""
"1560252","8.7039","0.0004","11.9985","0.0006","16.3531","0.0008","90","","90","","90","","1707.82","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NH4Th(NO3)5 . 5H2O","","","- H14 N6 O20 Th -","- H14 N6 O20 Th -","- H56 N24 O80 Th4 -","4","1","","A.V. Knyazev; M.E. Komshina; E.V. Baranov; I.A. Savushkin; O.V. Nipruk; A.Yu. Lukoyanov","Structural study of dehydration mechanisms of NH4Th(NO3)5.9H2O","Journal of Solid State Chemistry","2017","256","","1","5","10.1016/j.jssc.2017.08.021","","","0.71073","MoKα","","0.0268","0.0259","","","0.0603","0.0607","","","","","","1.062","","","","has coordinates,has disorder","261387","2021-02-03","08:55:42",""
"1560253","10.5476","0.0005","14.0444","0.0007","15.5287","0.0008","90","","109.5","0.0007","90","","2168.4","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NH4Th(NO3)5 . 9H2O","","","- H22 N6 O24 Th -","- H22 N6 O24 Th -","- H88 N24 O96 Th4 -","4","1","","A.V. Knyazev; M.E. Komshina; E.V. Baranov; I.A. Savushkin; O.V. Nipruk; A.Yu. Lukoyanov","Structural study of dehydration mechanisms of NH4Th(NO3)5.9H2O","Journal of Solid State Chemistry","2017","256","","1","5","10.1016/j.jssc.2017.08.021","","","0.71073","MoKα","","0.033","0.0246","","","0.0545","0.0573","","","","","","1.014","","","","has coordinates,has disorder","261388","2021-02-03","08:56:09",""
"1560254","4.8578","0.0002","25.2786","0.0011","10.9482","0.0005","90","","97.952","0.001","90","","1331.49","0.1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","{[CuCN][Cu(isonic)2]}n","","","- C13 H8 Cu2 N3 O4 -","- C13 H8 Cu2 N3 O4 -","- C52 H32 Cu8 N12 O16 -","4","1","","Dong-Sheng Liu; Wen-Tong Chen; Guang-Ming Ye; Jing Zhang; Yan Sui","Synthesis and characterization of a multifunctional inorganic-organic hybrid mixed-valence copper(I/II) coordination polymer: {[CuCN][Cu(isonic)2]}n","Journal of Solid State Chemistry","2017","256","","14","18","10.1016/j.jssc.2017.08.017","","","0.71073","MoKα","","0.0228","0.0209","","","0.0504","0.0509","","","","","","1.009","","","","has coordinates,has Fobs","261389","2021-02-03","09:14:38",""
"1560255","9.243","0.002","18.985","0.005","19.661","0.005","77.576","0.014","76.453","0.013","89.893","0.013","3271.3","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Co(II)-btc-dmp polymer","Poly[octakis(3,5-dimethylpyrazole)bis (benzene 1,3,5-tricarboxylato)tricobalt(II)]","","- C29 H35 Co1.5 N8 O6 -","- C29 H35 Co1.5 N8 O6 -","- C116 H140 Co6 N32 O24 -","4","2","","Sanchay J. Bora; Rima Paul; Mithun Nandi; Pradip K. Bhattacharyya","Two-fold interpenetrating btc based cobaltous coordination polymer: A promising catalyst for solvent free oxidation of 1-hexene","Journal of Solid State Chemistry","2017","256","","38","44","10.1016/j.jssc.2017.08.034","","","0.71073","MoKα","","0.1351","0.0471","","","0.1166","0.1404","","","","","","0.948","","","","has coordinates","261390","2021-02-03","09:29:56",""
"1560256","13.8141","0.0003","4.1649","0.0001","11.4008","0.0002","90","","90","","90","","655.94","0.02","","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","TlNdAg2S3","","","- Ag2 Nd S3 Tl -","- Ag2 Nd S3 Tl -","- Ag8 Nd4 S12 Tl4 -","4","0.5","","Abdeljalil Assoud; Yixuan Shi; Quansheng Guo; Holger Kleinke","Crystal and electronic structure of the new quaternary sulfides TlLnAg2S3 (Ln = Nd, Sm and Gd)","Journal of Solid State Chemistry","2017","256","","6","9","10.1016/j.jssc.2017.08.028","","x-ray","0.71073","MoKα","","","0.021","","","0.045","","","","","","","1.07","","","","has coordinates","261391","2021-02-03","09:49:54",""
"1560257","13.6341","0.001","13.6341","0.001","14.6643","0.0011","90","","90","","90","","2725.9","0.3","133","2","133","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.15 I3.85 Zn","","","- C16 H40 Cl0.15 I3.85 N2 Zn -","- C16 H40 Cl0.152 I3.848 N2 Zn -","- C64 H160 Cl0.608 I15.392 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0338","0.03","","","0.0708","0.0729","","","","","","1.075","","","","has coordinates,has disorder","261392","2021-02-03","10:18:47",""
"1560258","13.7327","0.0008","13.7327","0.0008","14.7484","0.0008","90","","90","","90","","2781.4","0.3","233","2","233","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.12 I3.88 Zn","","","- C16 H40 Cl0.12 I3.88 N2 Zn -","- C16 H40 Cl0.124 I3.876 N2 Zn -","- C64 H160 Cl0.496 I15.504 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0321","0.0304","","","0.0698","0.0708","","","","","","1.094","","","","has coordinates,has disorder","261393","2021-02-03","10:19:05",""
"1560259","13.7471","0.0009","13.7471","0.0009","14.7993","0.0012","90","","90","","90","","2796.8","0.3","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.18 I3.82 Zn","","","- C16 H40 Cl0.18 I3.82 N2 Zn -","- C16 H41 Cl0.18 I3.82 N2 Zn -","- C64 H164 Cl0.72 I15.28 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0501","0.0418","","","0.1042","0.1101","","","","","","1.052","","","","has coordinates,has disorder","261394","2021-02-03","10:19:29",""
"1560260","13.865","0.005","13.865","0.005","14.833","0.006","90","","90","","90","","2851.5","1.9","333","2","333","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","2(C8 H20 N), Cl0.12 I3.88 Zn","","","- C16 H40 Cl0.12 I3.88 N2 Zn -","- C16 H40 Cl0.124 I3.876 N2 Zn -","- C64 H160 Cl0.496 I15.504 N8 Zn4 -","4","0.5","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","","","0.71073","MoKα","","0.0633","0.0545","","","0.1294","0.1351","","","","","","1.115","","","","has coordinates,has disorder","261395","2021-02-03","10:19:45",""
"1560261","15.718","0.002","17.893","0.003","10.5835","0.0015","90","","90","","90","","2976.5","0.8","453","1","453","1","","","","","","","","6","P n a 21","P 2c -2n","33","2(C8 H20 N), Cl0.14 I3.86 Zn","","","- C16 H40 Cl0.14 I3.86 N2 Zn -","- Cl0.14 I3.86 Re2 Zn -","- Cl0.56 I15.44 Re8 Zn4 -","4","1","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","powder diffraction","x-ray","1.5418","CuKα","","0.1845","0.1266","","0.1569","0.1381","","","","0.15","","","","","","","has coordinates","261396","2021-02-03","10:19:58",""
"1560299","8.1291","0.0004","8.1291","0.0004","8.1291","0.0004","90","","90","","90","","537.19","0.05","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- F6 O6 Sb4 Zn3 -","- F6 O6 Sb4 Zn3 -","- F12 O12 Sb8 Zn6 -","2","0.0416667","","Sk Imran Alia; Weiguo Zhangb; P. Shiv Halasyamanib; Mats Johnsson","Zn3Sb4O6F6: Hydrothermal synthesis, crystal structure and nonlinear optical properties","Journal of Solid State Chemistry","2017","256","","158","161","10.1016/j.jssc.2017.08.033","","x-ray","0.71069","MoKα","","0.0218","0.0208","","","0.0253","0.0255","","","","1.77","1.77","1.75","","","","has coordinates","261846","2021-02-08","10:26:27",""
"1560317","10.46","0.0009","37.964","0.003","9.4331","0.0008","90","","101.177","0.002","90","","3674.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cd N6 O5 -","- C39 H28 Cd N6 O5 -","- C156 H112 Cd4 N24 O20 -","4","1","","Zhu, Zheng; Wang, Mei; Xu, Cun-gang; Zong, Zi-ao; Zhang, Dong-mei; Bi, Shuang-yu; Fan, Yu-hua","A multifunctional three-fold interpenetrated coordination polymer showing excellent luminescent sensing for Cr(VI)/ Fe(III) and photocatalytic properties","Journal of Solid State Chemistry","2017","256","","176","183","10.1016/j.jssc.2017.09.005","","","0.71073","MoKα","","0.1601","0.0853","","","0.1508","0.168","","","","","","1.05","","","","has coordinates","261868","2021-02-10","13:03:11",""
"1560323","8.755","0.01","12.489","0.014","27.16","0.03","81.436","0.012","89.689","0.012","74.665","0.013","2830","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H108 I26 N12 Pb7 -","- C42 H108 I26 N12 Pb7 -","- C42 H108 I26 N12 Pb7 -","1","0.5","","Hao, Yanhuan; Wang, Jiawei; Wei, Zhenhong; Yu, Hui; Cai, Hu","The influence of stoichiometry on the structure and fluorescence of two organic‒inorganic hybrid complexes incorporating of 2-(2-aminoethyl)-1-methylpyrrolidine and lead iodide","Journal of Solid State Chemistry","2017","256","","184","188","10.1016/j.jssc.2017.09.007","","","0.71073","MoKα","","0.0943","0.0632","","","0.1709","0.1969","","","","","","1.101","","","","has coordinates","261882","2021-02-11","08:26:01",""
"1560324","7.838","0.003","25.272","0.01","12.028","0.005","90","","101.159","0.004","90","","2337.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 I6 N2 Pb2 -","- C7 H18 I6 N2 Pb2 -","- C28 H72 I24 N8 Pb8 -","4","1","","Hao, Yanhuan; Wang, Jiawei; Wei, Zhenhong; Yu, Hui; Cai, Hu","The influence of stoichiometry on the structure and fluorescence of two organic‒inorganic hybrid complexes incorporating of 2-(2-aminoethyl)-1-methylpyrrolidine and lead iodide","Journal of Solid State Chemistry","2017","256","","184","188","10.1016/j.jssc.2017.09.007","","","0.71073","MoKα","","0.0677","0.0442","","","0.0996","0.1288","","","","","","1.058","","","","has coordinates","261882","2021-02-11","08:26:01",""
"1560325","14.3543","0.001","19.2806","0.0013","22.5002","0.0015","78.845","0.001","86.524","0.001","83.865","0.001","6069.4","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H228 As6 Er5 N8 Na5 O231 W42 -","- C16 H64 As6 Er5 N8 Na5 O214 W42 -","- C16 H64 As6 Er5 N8 Na5 O214 W42 -","1","0.5","","Liu, Jinglin; Li, Hailou; Zheng, Rui; Liu, Yajie; Jin, Guangfeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photoluminescence properties of {AsO 2 (OH)}-bridging arsenotungstates incorporating lanthanide ions","Journal of Solid State Chemistry","2017","256","","196","202","10.1016/j.jssc.2017.09.015","","","0.71073","MoKα","","0.0626","0.0471","","","0.1226","0.1305","","","","","","0.971","","","","has coordinates,has disorder","261883","2021-02-11","08:36:02",""
"1560326","14.3149","0.0008","19.241","0.001","22.4553","0.0013","78.831","0.001","86.495","0.001","83.852","0.001","6027.7","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H228 As6 N8 Na5 O231 W42 Yb5 -","- C16 H64 As6 N8 Na5 O214 W42 Yb5 -","- C16 H64 As6 N8 Na5 O214 W42 Yb5 -","1","0.5","","Liu, Jinglin; Li, Hailou; Zheng, Rui; Liu, Yajie; Jin, Guangfeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photoluminescence properties of {AsO 2 (OH)}-bridging arsenotungstates incorporating lanthanide ions","Journal of Solid State Chemistry","2017","256","","196","202","10.1016/j.jssc.2017.09.015","","","0.71073","MoKα","","0.0663","0.0439","","","0.1012","0.1095","","","","","","0.974","","","","has coordinates,has disorder","261883","2021-02-11","08:36:03",""
"1560327","5.6975","0.0001","5.6975","0.0001","18.9486","0.0003","90","","90","","120","","532.692","0.016","298","0.2","298","0.2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cd K2 O6 Se2 -","- Cd K2 O6 Se2 -","- Cd3 K6 O18 Se6 -","3","0.0833333","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.0205","0.0196","","","0.0469","0.0471","","","","","","1.284","","","","has coordinates","261884","2021-02-11","08:47:05",""
"1560328","5.7503","0.0001","5.7503","0.0001","19.6685","0.0006","90","","90","","120","","563.23","0.02","298","0.2","298","0.2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cd O6 Rb2 Se2 -","- Cd O6 Rb2 Se2 -","- Cd3 O18 Rb6 Se6 -","3","0.0833333","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.0234","0.0204","","","0.0435","0.0442","","","","","","1.115","","","","has coordinates","261884","2021-02-11","08:47:05",""
"1560329","5.8254","0.0001","5.8254","0.0001","20.8009","0.0004","90","","90","","120","","611.314","0.019","298","0.2","298","0.2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cd Cs2 O6 Se2 -","- Cd Cs2 O6 Se2 -","- Cd3 Cs6 O18 Se6 -","3","0.0833333","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.032","0.0249","","","0.0502","0.0513","","","","","","1.147","","","","has coordinates","261884","2021-02-11","08:47:05",""
"1560330","7.7204","0.0002","8.659","0.0003","10.7265","0.0002","103.312","0.002","92.215","0.001","116.453","0.001","616.49","0.03","298","0.2","298","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Cd3 Li2 O12 Se4 -","- Cd3 Li2 O12 Se4 -","- Cd6 Li4 O24 Se8 -","2","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","New quaternary alkali metal cadmium selenites, A 2 Cd(SeO 3 ) 2 (A = K, Rb, and Cs) and Li 2 Cd 3 (SeO 3 ) 4","Journal of Solid State Chemistry","2017","256","","213","218","10.1016/j.jssc.2017.09.014","","x-ray","0.71073","MoKα","","0.0489","0.0337","","","0.0562","0.0615","","","","","","1.018","","","","has coordinates","261884","2021-02-11","08:47:06",""
"1560331","12.4281","0.0007","26.2878","0.0015","13.7592","0.0008","90","","97.983","0.001","90","","4451.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 Cd3 N4 O16 -","- C70 H66 Cd3 N4 O16 -","- C140 H132 Cd6 N8 O32 -","2","0.5","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.0416","0.0348","","","0.1091","0.1143","","","","","","1.064","","","","has coordinates","261885","2021-02-11","09:37:15",""
"1560332","9.5879","0.0006","14.577","0.0009","14.811","0.0009","69.964","0.001","85.828","0.001","89.311","0.001","1939.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 Cd3 N4 O16 -","- C70 H66 Cd3 N4 O16 -","- C70 H66 Cd3 N4 O16 -","1","0.5","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.0585","0.0503","","","0.1846","0.1941","","","","","","1.17","","","","has coordinates,has disorder","261886","2021-02-11","09:38:34",""
"1560333","29.787","0.002","17.1885","0.0012","15.4688","0.0011","90","","97.515","0.001","90","","7851.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cd3 N4 O16 -","- C66 H58 Cd3 N4 O16 -","- C264 H232 Cd12 N16 O64 -","4","0.5","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.0433","0.0369","","","0.1137","0.119","","","","","","0.93","","","","has coordinates,has disorder","261887","2021-02-11","09:40:08",""
"1560334","32.73","0.003","9.2717","0.0009","29.896","0.003","90","","113.742","0.002","90","","8304.5","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H37 Cd2 N3 O11 -","- C37 H35 Cd2 N3 O11 -","- C296 H280 Cd16 N24 O88 -","8","1","","Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei","Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties","Journal of Solid State Chemistry","2017","256","","227","233","10.1016/j.jssc.2017.09.008","","","0.71073","MoKα","","0.08","0.0661","","","0.181","0.1892","","","","","","1.033","","","","has coordinates","261888","2021-02-11","09:41:49",""
"1560335","5.2567","0.0002","5.2567","0.0002","12.2582","0.0003","90","","90","","120","","293.348","0.017","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Ga H2 K O6 P2 -","- Ga H2 K O6 P2 -","- Ga2 H4 K2 O12 P4 -","2","0.166667","","Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric","Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites","Journal of Solid State Chemistry","2017","255","","8","12","10.1016/j.jssc.2017.07.030","","","0.71069","MoKα","","0.0324","0.023","","","0.049","0.0522","","","","","","0.8","","","","has coordinates","261889","2021-02-11","12:22:19",""
"1560336","5.2576","0.0002","5.2576","0.0002","12.9113","0.0004","90","","90","","120","","309.083","0.019","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Ga H6 N O6 P2 -","- Ga H6 N O6 P2 -","- Ga2 H12 N2 O12 P4 -","2","0.166667","","Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric","Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites","Journal of Solid State Chemistry","2017","255","","8","12","10.1016/j.jssc.2017.07.030","","","0.71069","MoKα","","0.0292","0.0237","","","0.0537","0.056","","","","","","1.04","","","","has coordinates","261890","2021-02-11","12:23:42",""
"1560337","5.2702","0.0001","5.2702","0.0001","12.7619","0.0005","90","","90","","120","","306.973","0.015","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Ga H2 O6 P2 Rb -","- Ga H2 O6 P2 Rb -","- Ga2 H4 O12 P4 Rb2 -","2","0.166667","","Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric","Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites","Journal of Solid State Chemistry","2017","255","","8","12","10.1016/j.jssc.2017.07.030","","","0.71069","MoKα","","0.0198","0.0158","","","0.0426","0.0446","","","","","","0.807","","","","has coordinates","261891","2021-02-11","12:24:52",""
"1560338","15.7099","0.0004","9.2267","0.0002","19.5764","0.0005","90","","98.046","0.003","90","","2809.68","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O10 Pr -","- C11 H14 O10 Pr -","- C88 H112 O80 Pr8 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.0382","0.0322","","","0.0654","0.0713","","","","","","1.054","","","","has coordinates","261892","2021-02-11","17:01:51",""
"1560339","15.6336","0.0004","9.2052","0.0002","19.5231","0.0005","90","","97.917","0.002","90","","2782.8","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Nd O10 -","- C11 H14 Nd O10 -","- C88 H112 Nd8 O80 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.0375","0.031","","","0.0781","0.0818","","","","","","1.104","","","","has coordinates","261893","2021-02-11","17:04:38",""
"1560340","15.4577","0.0005","9.0686","0.0002","19.3467","0.0006","90","","97.841","0.003","90","","2686.66","0.14","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O10 Tb -","- C11 H14 O10 Tb -","- C88 H112 O80 Tb8 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.034","0.0296","","","0.0748","0.0788","","","","","","1.069","","","","has coordinates","261894","2021-02-11","17:06:32",""
"1560341","15.5753","0.0005","9.0937","0.0003","19.2775","0.0005","90","","97.856","0.003","90","","2704.78","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Dy O10 -","- C11 H14 Dy O10 -","- C88 H112 Dy8 O80 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.0411","0.0364","","","0.0906","0.0958","","","","","","1.02","","","","has coordinates","261895","2021-02-11","17:08:25",""
"1560342","15.5804","0.0003","9.07105","0.00015","19.2388","0.0003","90","","97.85","0.0017","90","","2693.55","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Ho O10 -","- C11 H14 Ho O10 -","- C88 H112 Ho8 O80 -","8","1","","Kariem, Mukaddus; Yawer, Mohd; Kumar, Manesh; Nawaz Sheikh, Haq; Sood, Puneet; Kolekar, Sanjay S.","Self-assembly of coordination polymers of Pr(III), Nd(III), Tb(III), Dy(III) and Ho(III) with 5-hydroxyisophthalic acid and adipic acid: Syntheses, structures, porosity, luminescence and magnetic properties","Journal of Solid State Chemistry","2017","255","","61","69","10.1016/j.jssc.2017.08.001","","x-ray","0.71073","MoKα","","0.031","0.0287","","","0.0722","0.0744","","","","","","1.043","","","","has coordinates","261896","2021-02-11","17:10:28",""
"1560343","25.742","0.005","10.604","0.002","16.205","0.003","90","","112.17","0.03","90","","4096.4","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 K2 N5 O29 Tb3 -","- C28 H14 K2 N5 O29 Tb3 -","- C112 H56 K8 N20 O116 Tb12 -","4","0.5","","Zhao, Shuai; Hao, Xue-Min; Liu, Jia-Lin; Wu, Lin-Wei; Wang, Hao; Wu, Yi-Bo; Yang, Dan; Guo, Wen-Li","Construction of Eu(III)- and Tb(III)-MOFs with photoluminescence for sensing small molecules based on furan-2,5-dicarboxylic acid","Journal of Solid State Chemistry","2017","255","","76","81","10.1016/j.jssc.2017.07.039","","","0.71073","MoKα","","0.0519","0.0386","","","0.0975","0.1054","","","","","","1.033","","","","has coordinates","261897","2021-02-11","17:18:38",""
"1560344","25.853","0.005","10.531","0.002","16.312","0.003","90","","112.05","0.03","90","","4116.2","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 Eu3 K2 N5 O29 -","- C28 H14 Eu3 K2 N5 O29 -","- C112 H56 Eu12 K8 N20 O116 -","4","0.5","","Zhao, Shuai; Hao, Xue-Min; Liu, Jia-Lin; Wu, Lin-Wei; Wang, Hao; Wu, Yi-Bo; Yang, Dan; Guo, Wen-Li","Construction of Eu(III)- and Tb(III)-MOFs with photoluminescence for sensing small molecules based on furan-2,5-dicarboxylic acid","Journal of Solid State Chemistry","2017","255","","76","81","10.1016/j.jssc.2017.07.039","","","0.71073","MoKα","","0.1041","0.0662","","","0.0852","0.0929","","","","","","1.165","","","","has coordinates","261898","2021-02-11","17:20:24",""
"1560345","12.73","0.03","24.65","0.05","9.24","0.02","90","","90","","90","","2899","11","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba6 Pb Se13 Sn3 -","- Ba6 Pb Se13 Sn3 -","- Ba24 Pb4 Se52 Sn12 -","4","0.5","","Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui","Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13","Journal of Solid State Chemistry","2017","255","","133","138","10.1016/j.jssc.2017.08.019","","","0.71073","MoKα","","0.1002","0.0539","","","0.1098","0.1241","","","","","","0.977","","","","has coordinates","261899","2021-02-11","17:33:37",""
"1560346","12.208","0.005","23.499","0.01","8.838","0.004","90","","90","","90","","2535.4","1.9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba5.25 Pb1.75 S13 Sn3 -","- Ba5.242 Pb1.758 S13 Sn3 -","- Ba20.968 Pb7.032 S52 Sn12 -","4","0.5","","Abudurusuli, Ailijiang; Ding, Hanqin; Wu, Kui","Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13","Journal of Solid State Chemistry","2017","255","","133","138","10.1016/j.jssc.2017.08.019","","","0.71073","MoKα","","0.0512","0.0394","","","0.1032","0.1081","","","","","","1.11","","","","has coordinates","261900","2021-02-11","17:35:19",""
"1560348","9.344","0.004","5.308","0.003","13.29","0.006","90","","92.072","0.007","90","","658.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","merwinite","","","- Ca3 Mg O8 Si2 -","- Ca3 Mg O8 Si2 -","- Ca12 Mg4 O32 Si8 -","4","0.5","","Bao, Xinjian; Zhang, Yanyao; Zhang, Zhigang; Zhang, Lifei; Liu, Xiaoyang; Dong, Jianjun; Liu, Xi","A new Ca3MgSi2O8 compound and some of its thermodynamic properties","Journal of Solid State Chemistry","2017","255","","145","149","10.1016/j.jssc.2017.08.005","","","0.71073","MoKα","","0.0709","0.0527","","","0.131","0.1412","","","","","","1.035","","","","has coordinates","261912","2021-02-12","13:51:55",""
"1560349","35.8058","0.0008","14.0548","0.0003","15.4366","0.0004","90","","106.802","0.002","90","","7436.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 N4 O7.85 Zn -","- C44 H34 N4 O7.85 Zn -","- C352 H272 N32 O62.8 Zn8 -","8","1","","Yuan, Lv-Bing; He, Yan-Ping; Xu, Hai; Zhang, Jian","Syntheses, crystal structures and fluorescent properties of three metal- tris(4′-carboxybiphenyl)amine frameworks","Journal of Solid State Chemistry","2017","255","","200","205","10.1016/j.jssc.2017.08.024","","","1.54178","CuKα","","0.117","0.1081","","","0.3592","0.377","","","","","","1.785","","","","has coordinates","261913","2021-02-12","14:00:44",""
"1560350","6.8773","0.0014","15.061","0.003","11.609","0.002","90","","96.74","0.03","90","","1194.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Mn2 O14 Sr2 V4 -","- Mn2 O14 Sr2 V4 -","- Mn8 O56 Sr8 V16 -","4","1","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.0529","0.0391","","","0.0828","0.0896","","","","","","1.137","","","","has coordinates","261914","2021-02-12","14:06:34",""
"1560351","6.9951","0.0002","6.9951","0.0002","25.439","0.0007","90","","90","","90","","1244.77","0.06","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- Mn O14 Sr3 V4 -","- Mn O14 Sr3 V4 -","- Mn4 O56 Sr12 V16 -","4","0.5","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.022","0.0192","","","0.0371","0.0377","","","","","","1.057","","","","has coordinates","261915","2021-02-12","14:07:41",""
"1560352","7.6316","0.0003","6.1204","0.0003","8.6893","0.0003","90","","111.394","0.001","90","","377.9","0.03","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H Mn O9 Sr2 V2 -","- H Mn O9 Sr2 V2 -","- H2 Mn2 O18 Sr4 V4 -","2","1","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.0151","0.0146","","","0.038","0.0382","","","","","","1.12","","","","has coordinates","261916","2021-02-12","14:09:09",""
"1560353","5.67715","0.00026","5.67715","","8.0495","0.0007","90","","90","","90","","259.44","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li0.19 N0.23 Nb0.81 O2.77 Sr -","- Li0.191 N0.234 Nb0.809 O2.766 Sr -","- Li0.764 N0.936 Nb3.236 O11.064 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.72","","","","","","","has coordinates","261917","2021-02-12","14:26:39",""
"1560354","5.71841","0.00028","5.71841","","8.1222","0.0007","90","","90","","90","","265.6","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- N0.18 Na0.2 Nb0.8 O2.82 Sr -","- N0.183 Na0.196 Nb0.804 O2.817 Sr -","- N0.732 Na0.784 Nb3.216 O11.268 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates","261918","2021-02-12","14:28:09",""
"1560355","5.67651","0.00025","5.67651","","8.0758","0.0006","90","","90","","90","","260.22","0.02","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Mg0.22 N0.4 Nb0.78 O2.6 Sr -","- Mg0.216 N0.401 Nb0.784 O2.599 Sr -","- Mg0.864 N1.604 Nb3.136 O10.396 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","261919","2021-02-12","14:30:16",""
"1560356","4.115489","0.000035","4.115489","","4.115489","","90","","90","","90","","69.7051","0.0006","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Li0.19 N0.2 Nb0.81 O2.8 -","- Ba Li0.188 N0.198 Nb0.812 O2.802 -","- Ba Li0.188 N0.198 Nb0.812 O2.802 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates","261920","2021-02-12","14:31:25",""
"1560357","4.14577","0.00007","4.14577","","4.14577","","90","","90","","90","","71.255","0.0012","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba N0.25 Na0.21 Nb0.79 O2.75 -","- Ba N0.246 Na0.209 Nb0.791 O2.754 -","- Ba N0.246 Na0.209 Nb0.791 O2.754 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","261921","2021-02-12","14:32:36",""
"1560358","4.11972","0.00004","4.11972","","4.11972","","90","","90","","90","","69.9203","0.0007","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Mg0.19 N0.47 Nb0.81 O2.53 -","- Ba Mg0.192 N0.471 Nb0.808 O2.529 -","- Ba Mg0.192 N0.471 Nb0.808 O2.529 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.37","","","","","","","has coordinates","261922","2021-02-12","14:33:40",""
"1560359","14.4985","0.0005","12.2421","0.0004","23.766","0.0005","90","","90","","90","","4218.3","0.2","173","0.1","173","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C18 H17 Cl2 Mn N3 O6 -","- C18 H17 Cl2 Mn N3 O6 -","- C144 H136 Cl16 Mn8 N24 O48 -","8","1","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.1124","0.0847","","","0.2238","0.2486","","","","","","1.08","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1560360","20.267","0.002","13.5379","0.0012","7.4103","0.0007","90","","90","","90","","2033.2","0.3","173","0.1","173","0.1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H21 Mn N3 O5 -","- C20 H21 Mn N3 O5 -","- C80 H84 Mn4 N12 O20 -","4","0.5","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.115","0.0935","","","0.2353","0.2548","","","","","","1.066","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1560361","14.698","0.003","7.051","0.002","10.823","0.002","90","0.03","95.04","0.03","90","0.03","1117.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H22 Co N2 O18 U -","- C14 H22 Co N2 O18 U -","- C28 H44 Co2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0303","0.0264","","","0.0518","0.053","","","","","","1.09","","","","has coordinates,has disorder","261924","2021-02-12","14:49:50",""
"1560362","14.785","0.005","6.982","0.002","10.879","0.003","90","","96.501","0.015","90","","1115.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 Cu N2 O18 U -","- C14 H14 Cu N2 O18 U -","- C28 H28 Cu2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0549","0.0477","","","0.1149","0.1184","","","","","","1.035","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560363","14.678","0.005","7.0489","0.0019","10.906","0.003","90","","94.647","0.013","90","","1124.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 Fe N2 O18 U -","- C14 H14 Fe N2 O18 U -","- C28 H28 Fe2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0441","0.0376","","","0.0949","0.1022","","","","","","1.136","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560364","14.711","0.004","7.0599","0.0017","10.773","0.003","90","","94.95","0.014","90","","1114.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 N2 Ni O18 U -","- C14 H14 N2 Ni O18 U -","- C28 H28 N4 Ni2 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0318","0.0309","","","0.0797","0.0803","","","","","","1.112","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560365","14.751","0.017","7.149","0.007","10.905","0.01","90","","94.82","0.06","90","","1146","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 N2 O18 U Zn -","- C14 H14 N2 O18 U Zn -","- C28 H28 N4 O36 U2 Zn2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0849","0.0494","","","0.0995","0.1149","","","","","","1.055","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560375","8.6968","0.0006","19.9327","0.0013","12.2232","0.0008","90","","98.958","0.002","90","","2093.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 O4 Sb -","- C24 H21 O4 Sb -","- C96 H84 O16 Sb4 -","4","1","","Fukin, Georgy K.; Samsonov, Maxim A.; Arapova, Alla V.; Mazur, Anton S.; Artamonova, Tatiana O.; Khodorkovskiy, Mikhail A.; Vasilyev, Aleksander V.","Experimental and theoretical distribution of electron density and thermopolimerization in crystals of Ph 3 Sb(O 2 CCH=CH 2 ) 2 complex","Journal of Solid State Chemistry","2017","254","","32","39","10.1016/j.jssc.2017.06.030","","","0.71073","MoKα","","0.0388","0.0388","","","0.0328","0.0331","","","","","","0.997","","","","has coordinates","261956","2021-02-15","09:37:39",""
"1560376","10.0301","0.0005","10.0301","0.0005","10.0301","0.0005","90","","90","","90","","1009.06","0.09","100","2","100","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ca F0.6147 N0.4619 -","- Ca F0.612932 N0.462345 -","- Ca32 F19.6138 N14.795 -","32","0.166667","","Al-Azzawi, Mohanad; Zeller, Matthias; Li, Dingqiang; Wagner, Timothy R.","Crystal chemistry of ordered rocksalt-type Ca 2 NF","Journal of Solid State Chemistry","2017","254","","126","131","10.1016/j.jssc.2017.07.017","","","0.71073","MoKα","","0.0294","0.0293","","","0.0675","0.0675","","","","","","1.347","","","","has coordinates","261957","2021-02-15","10:00:26",""
"1560377","15.2153","0.0005","9.4589","0.0003","8.9097","0.0003","90","","108.058","0.0009","90","","1219.12","0.07","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C6 H28 Cl Ga3 N6 O16 P4 -","- C6 H28 Cl Ga3 N6 O16 P4 -","- C12 H56 Cl2 Ga6 N12 O32 P8 -","2","0.5","","Gao, Fan; Huang, Liangliang; Ma, Yike; Jiao, Shufei; Jiang, Yansong; Bi, Yanfeng","Ionothermal synthesis, characterization of a new layered gallium phosphate with an unusual heptamer SBU","Journal of Solid State Chemistry","2017","254","","155","159","10.1016/j.jssc.2017.07.010","","","0.71073","MoKα","","0.0461","0.0336","","","0.051","0.0531","","","","","","1.062","","","","has coordinates","261958","2021-02-15","10:05:01",""
"1560378","19.618","0.004","7.3868","0.0015","7.4564","0.0015","90","","102.561","0.009","90","","1054.7","0.4","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F3.24 H2.76 K Ni3 O10.76 P3 -","- F3.24 H2.76 K Ni3 O10.76 P3 -","- F12.96 H11.04 K4 Ni12 O43.04 P12 -","4","0.5","","Liu, Li-Chen; Ren, Wei-Jian; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Canted antiferromagnetism in KNi 3 [PO 3 (F,OH)] 2 [PO 2 (OH) 2 ]F 2 with a stair-case Kagomé lattice","Journal of Solid State Chemistry","2017","254","","160","165","10.1016/j.jssc.2017.07.011","","","0.71073","MoKα","","0.0437","0.0388","","","0.0934","0.0972","","","","","","1.002","","","","has coordinates","261959","2021-02-15","10:10:22",""
"1560379","10.036","0.0006","10.036","0.0006","78.286","0.004","90","","90","","120","","6828.7","0.7","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","barium indium selenide (12/4/20)","barium indium selenide (12/4/20)","","- Ba12 In4 Se20 -","- Ba12 In4 Se20 -","- Ba72 In24 Se120 -","6","0.333333","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur","When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19","Journal of Solid State Chemistry","2017","253","","29","34","10.1016/j.jssc.2017.05.016","","","0.71073","MoKα","","0.0937","0.0485","","","0.1036","0.1254","","","","","","1.054","","","","has coordinates","261961","2021-02-15","10:17:30",""
"1560380","10.0108","0.0008","10.0108","0.0008","78.184","0.007","90","","90","","120","","6785.6","1","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","barium indium selenide (12/4/20)","barium indium selenide (12/4/20)","","- Ba12 In4 Se20 -","- Ba12 In4 Se20 -","- Ba72 In24 Se120 -","6","0.333333","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur","When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19","Journal of Solid State Chemistry","2017","253","","29","34","10.1016/j.jssc.2017.05.016","","","0.71073","MoKα","","0.0646","0.0402","","","0.0864","0.0971","","","","","","1.075","","","","has coordinates","261963","2021-02-15","10:19:11",""
"1560381","18.7074","0.0011","9.1703","0.0005","28.5497","0.0016","90","","94.276","0.003","90","","4884.1","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H37 Cd3 N10 O20 -","- C46 H31 Cd3 N10 O20 -","- C184 H124 Cd12 N40 O80 -","4","1","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.0401","0.0303","","","0.0708","0.0747","","","","","","1.018","","","","has coordinates","261965","2021-02-15","10:24:32",""
"1560382","10.2521","0.0005","16.2799","0.0008","16.2848","0.0009","75.979","0.004","77.781","0.004","75.97","0.004","2524.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N14 O16 Zn3 -","- C48 H46 N14 O16 Zn3 -","- C96 H92 N28 O32 Zn6 -","2","1","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.101","0.0596","","","0.1136","0.1405","","","","","","1.043","","","","has coordinates","261965","2021-02-15","10:24:33",""
"1560383","16.028","0.003","20.202","0.004","21.17","0.004","78.07","0.03","74.54","0.03","76.76","0.03","6353","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H128 N34 O32 Zn6 -","- C106 H114 N34 O32 Zn6 -","- C212 H228 N68 O64 Zn12 -","2","1","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.1064","0.0546","","","0.1413","0.1678","","","","","","1.036","","","","has coordinates","261965","2021-02-15","10:24:33",""
"1560384","16.7678","0.0013","7.4121","0.0006","19.7303","0.0015","90","","101.24","0.001","90","","2405.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Co3 N6 O28 -","- C34 H54 Co3 N6 O28 -","- C68 H108 Co6 N12 O56 -","2","0.5","","Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua","Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties","Journal of Solid State Chemistry","2017","253","","35","42","10.1016/j.jssc.2017.05.010","","","0.71073","MoKα","","0.0465","0.0356","","","0.1019","0.1127","","","","","","1.093","","","","has coordinates","261965","2021-02-15","10:24:33",""
"1560385","30.306","0.003","7.0701","0.0006","16.1304","0.0015","90","","106.564","0.01","90","","3312.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C160 H120 N24 O16 -","8","1","","Rai, U.S.; Singh, Manjeet; Rai, R.N.","Solid state synthesis, structural, physicochemical and optical properties of an inter-molecular compound: 2-hydroxy-1, 2-diphenylethanone-4-nitro-o-phenylenediamine system","Journal of Solid State Chemistry","2017","253","","63","72","10.1016/j.jssc.2017.05.030","","","0.71073","MoKα","","0.1074","0.0638","","","0.1521","0.1796","","","","","","0.988","","","","has coordinates","261966","2021-02-15","10:29:42",""
"1560387","12.243","0.002","15.603","0.003","16.475","0.003","90","","90.73","0.03","90","","3146.9","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H17 Cu F12 N3 O4 S -","- C30 H17 Cu F12 N3 O4 S -","- C120 H68 Cu4 F48 N12 O16 S4 -","4","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","","0.71073","MoKα","","0.154","0.0771","","","0.2072","0.2523","","","","","","1.045","","","","has coordinates,has disorder","261968","2021-02-15","11:05:21",""
"1560388","11.286","0.002","24.821","0.005","15.438","0.003","90","","108.61","0.003","90","","4098.5","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H19 Cl3 Cu F12 N4 O4 -","- C34.708 H18.708 Cl2.124 Cu F12 N4 O4 -","- C138.832 H74.832 Cl8.496 Cu4 F48 N16 O16 -","4","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","","0.71073","MoKα","","0.0988","0.0688","","","0.1735","0.1889","","","","","","1.139","","","","has coordinates,has disorder","261969","2021-02-15","11:06:50",""
"1560389","15.2176","0.0005","18.6531","0.0005","26.4674","0.0007","90","","90","","90","","7512.9","0.4","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C35 H19 Cl3 Cu F12 N4 O4 -","- C35 H19 Cl3 Cu F12 N4 O4 -","- C280 H152 Cl24 Cu8 F96 N32 O32 -","8","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","x-ray","0.71073","MoKα","","0.0797","0.0615","","","0.1558","0.1736","","","","","","1.03","","","","has coordinates","261970","2021-02-15","11:08:14",""
"1560390","21.4216","0.0011","13.9805","0.0008","25.0391","0.0013","90","","115.666","0.002","90","","6758.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cu F12 N4 O4 -","- C32 H16 Cu F12 N4 O4 -","- C256 H128 Cu8 F96 N32 O32 -","8","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","x-ray","0.71073","MoKα","","0.1141","0.0642","","","0.176","0.2005","","","","","","0.992","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560391","12.7387","0.0003","13.6716","0.0004","7.1904","0.0002","90","","112.404","0.001","90","","1157.75","0.05","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mn1.43 Mo3 Na3.13 O12 -","- Mn1.4344 Mo3 Na3.126 O12 -","- Mn5.7376 Mo12 Na12.504 O48 -","4","0.5","","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Gulyaeva, Oksana A.; Tushinova, Yunna L.; Kuchumov, Boris M.","Nonstoichiometry in the systems Na2MoO4‒MMoO4 (M = Co, Cd), crystal structures of Na3.36Co1.32(MoO4)3, Na3.13Mn1.43(MoO4)3 and Na3.72Cd1.14(MoO4)3, crystal chemistry, compositions and ionic conductivity of alluaudite-type double molybdates and tungstates","Journal of Solid State Chemistry","2017","253","","121","128","10.1016/j.jssc.2017.05.031","","","0.71073","MoKα","","0.0177","0.0166","","","0.0404","0.0408","","","","","","1.139","","","","has coordinates","261972","2021-02-15","12:56:23",""
"1560392","12.6381","0.0003","13.4888","0.0004","7.1244","0.0002","90","","112.127","0.001","90","","1125.07","0.05","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co1.32 Mo3 Na3.36 O12 -","- Co1.3194 Mo3 Na3.361 O12 -","- Co5.2776 Mo12 Na13.444 O48 -","4","0.5","","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Gulyaeva, Oksana A.; Tushinova, Yunna L.; Kuchumov, Boris M.","Nonstoichiometry in the systems Na2MoO4‒MMoO4 (M = Co, Cd), crystal structures of Na3.36Co1.32(MoO4)3, Na3.13Mn1.43(MoO4)3 and Na3.72Cd1.14(MoO4)3, crystal chemistry, compositions and ionic conductivity of alluaudite-type double molybdates and tungstates","Journal of Solid State Chemistry","2017","253","","121","128","10.1016/j.jssc.2017.05.031","","","0.71073","MoKα","","0.0265","0.0207","","","0.0458","0.0474","","","","","","1.065","","","","has coordinates","261972","2021-02-15","12:56:34",""
"1560393","12.804","0.003","13.913","0.003","7.3258","0.0015","90","","112.63","0.03","90","","1204.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd1.14 Mo3 Na3.72 O12 -","- Cd1.138 Mo3 Na3.724 O12 -","- Cd4.552 Mo12 Na14.896 O48 -","4","0.5","","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Gulyaeva, Oksana A.; Tushinova, Yunna L.; Kuchumov, Boris M.","Nonstoichiometry in the systems Na2MoO4‒MMoO4 (M = Co, Cd), crystal structures of Na3.36Co1.32(MoO4)3, Na3.13Mn1.43(MoO4)3 and Na3.72Cd1.14(MoO4)3, crystal chemistry, compositions and ionic conductivity of alluaudite-type double molybdates and tungstates","Journal of Solid State Chemistry","2017","253","","121","128","10.1016/j.jssc.2017.05.031","","","0.71073","MoKα","","0.0176","0.0158","","","0.0412","0.042","","","","","","1.091","","","","has coordinates","261972","2021-02-15","12:56:34",""
"1560394","24.429","0.005","17.322","0.005","13.69","0.005","90","0.005","119.589","0.005","90","0.005","5038","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu N0 O10 Si -","- C28 H22 Cu O10 Si -","- C224 H176 Cu8 O80 Si8 -","8","1","","Guo, Tiantian; Yang, Xiaowei; Li, Ruyan; Liu, Xiaoyu; Gao, Yanling; Dai, Zhihui; Fang, Min; Liu, Hong-Ke; Wu, Yong","Syntheses, structures and photoelectrochemical properties of three water-stable, visible light absorbing mental-organic frameworks based on tetrakis(4-carboxyphenyl)silane and 1,4-bis(pyridyl)benzene mixed ligands","Journal of Solid State Chemistry","2017","253","","129","138","10.1016/j.jssc.2017.05.011","","","0.71069","MoKα","","0.0801","0.0476","","","0.1167","0.1271","","","","","","1.079","","","","has coordinates","261973","2021-02-15","13:03:31",""
"1560395","20.4302","0.0017","16.3801","0.0014","12.917","0.0011","90","","115.202","0.002","90","","3911.2","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Co N2 O8 Si -","- C44 H30 Co N2 O8 Si -","- C176 H120 Co4 N8 O32 Si4 -","4","0.5","","Guo, Tiantian; Yang, Xiaowei; Li, Ruyan; Liu, Xiaoyu; Gao, Yanling; Dai, Zhihui; Fang, Min; Liu, Hong-Ke; Wu, Yong","Syntheses, structures and photoelectrochemical properties of three water-stable, visible light absorbing mental-organic frameworks based on tetrakis(4-carboxyphenyl)silane and 1,4-bis(pyridyl)benzene mixed ligands","Journal of Solid State Chemistry","2017","253","","129","138","10.1016/j.jssc.2017.05.011","","","0.71073","MoKα","","0.2098","0.0914","","","0.1789","0.2085","","","","","","1.017","","","","has coordinates","261973","2021-02-15","13:03:32",""
"1560396","20.6289","0.0018","16.4621","0.0014","13.007","0.0012","90","","115.044","0.002","90","","4001.8","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N2 Ni O8 Si -","- C44 H30 N2 Ni O8 Si -","- C176 H120 N8 Ni4 O32 Si4 -","4","0.5","","Guo, Tiantian; Yang, Xiaowei; Li, Ruyan; Liu, Xiaoyu; Gao, Yanling; Dai, Zhihui; Fang, Min; Liu, Hong-Ke; Wu, Yong","Syntheses, structures and photoelectrochemical properties of three water-stable, visible light absorbing mental-organic frameworks based on tetrakis(4-carboxyphenyl)silane and 1,4-bis(pyridyl)benzene mixed ligands","Journal of Solid State Chemistry","2017","253","","129","138","10.1016/j.jssc.2017.05.011","","","0.71073","MoKα","","0.0776","0.0452","","","0.1112","0.1351","","","","","","1.061","","","","has coordinates","261973","2021-02-15","13:03:32",""
"1560397","7.5213","0.0004","10.3018","0.0006","11.4847","0.0006","111.167","0.002","92.775","0.002","111.021","0.002","758.25","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H5 Eu2 O13 -","- C15 H5 Eu2 O13 -","- C30 H10 Eu4 O26 -","2","1","","Lahoud, Marcelo G.; Frem, Regina C.G.; Marques, Lippy F.; Arroyos, Guilherme; Brandão, Paula; Ferreira, Rute A.S.; Carlos, Luís D.","A novel near monochromatic red emissive europium(III) metal-organic framework based on 1,2,4,5-benzenetetracarboxylate: From synthesis to photoluminescence studies","Journal of Solid State Chemistry","2017","253","","176","183","10.1016/j.jssc.2017.05.041","","","0.71073","MoKα","","0.0249","0.0188","","","0.0376","0.0392","","","","","","1.085","","","","has coordinates","261974","2021-02-15","13:09:19",""
"1560399","10.058","0.006","13.489","0.008","10.085","0.006","90","","100.84","0.007","90","","1343.8","1.4","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cu4 S4 Sn -","- Cu4 S4 Sn -","- Cu32 S32 Sn8 -","8","2","","Choudhury, Amitava; Mohapatra, Sudip; Yaghoobnejad Asl, Hooman; Lee, Seng Huat; Hor, Yew San; Medvedeva, Julia E.; McClane, Devon L.; Hilmas, Gregory E.; McGuire, Michael A.; May, Andrew F.; Wang, Hsin; Dash, Shreeram; Welton, Aaron; Boolchand, Punit; Devlin, Kasey P.; Aitken, Jennifer; Herbst-Irmer, Regine; Petříček, Váčlav","New insights into the structure, chemistry, and properties of Cu4SnS4","Journal of Solid State Chemistry","2017","253","","192","201","10.1016/j.jssc.2017.05.033","","","0.71073","MoKα","","0.1149","0.0672","","","0.1277","0.1461","","","","","","0.967","","","","has coordinates","261995","2021-02-16","08:12:25",""
"1560400","13.5667","0.0018","7.6891","0.001","6.4169","0.0009","90","","90","","90","","669.38","0.16","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu4 S4 Sn -","- Cu3.999 S4 Sn -","- Cu15.996 S16 Sn4 -","4","0.5","","Choudhury, Amitava; Mohapatra, Sudip; Yaghoobnejad Asl, Hooman; Lee, Seng Huat; Hor, Yew San; Medvedeva, Julia E.; McClane, Devon L.; Hilmas, Gregory E.; McGuire, Michael A.; May, Andrew F.; Wang, Hsin; Dash, Shreeram; Welton, Aaron; Boolchand, Punit; Devlin, Kasey P.; Aitken, Jennifer; Herbst-Irmer, Regine; Petříček, Váčlav","New insights into the structure, chemistry, and properties of Cu4SnS4","Journal of Solid State Chemistry","2017","253","","192","201","10.1016/j.jssc.2017.05.033","","","0.71073","MoKα","","0.0346","0.0319","","","0.0753","0.0768","","","","","","1.081","","","","has coordinates,has disorder","261995","2021-02-16","08:12:26",""
"1560401","11.3138","0.0008","23.4095","0.0016","23.5744","0.0015","90","","111.551","0.004","90","","5807.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64.25 Eu5 N14.75 O33 -","- C33 H50.5 Eu5 N13.5 O30.5 -","- C132 H202 Eu20 N54 O122 -","4","1","","Liu, Feng; Gao, Wei; Li, Peng; Zhang, Xiu-Mei; Liu, Jie-Ping","Lanthanide metal-organic frameworks as multifunctional luminescent sensor for detecting cations, anions and organic solvent molecules in aqueous solution","Journal of Solid State Chemistry","2017","253","","202","210","10.1016/j.jssc.2017.05.040","","","0.71073","MoKα","","0.0391","0.035","","","0.0822","0.0839","","","","","","1.123","","","","has coordinates,has disorder","261996","2021-02-16","08:19:21",""
"1560402","9.0781","0.0018","9.7454","0.0019","20.353","0.006","90","","115.32","0.03","90","","1627.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Ag N3 O6 -","- C15 H13 Ag N3 O6 -","- C60 H52 Ag4 N12 O24 -","4","1","","Yang, Yuan-Yuan; Zhou, Lin-Xia; Zheng, Yue-Qing; Zhu, Hong-Lin; Li, Wen-Ying","Hydrothermal synthesis, photoluminescence and photocatalytic properties of two silver(I) complexes","Journal of Solid State Chemistry","2017","253","","211","218","10.1016/j.jssc.2017.05.009","","","0.71073","MoKα","","0.0877","0.0794","","","0.1752","0.1789","","","","","","1.25","","","","has coordinates","261997","2021-02-16","08:25:00",""
"1560403","8.2988","0.0017","8.805","0.0018","10.563","0.002","81.13","0.03","75.08","0.03","89.98","0.03","736.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Ag2 N10 O12 -","- C24 H24 Ag2 N10 O12 -","- C24 H24 Ag2 N10 O12 -","1","0.5","","Yang, Yuan-Yuan; Zhou, Lin-Xia; Zheng, Yue-Qing; Zhu, Hong-Lin; Li, Wen-Ying","Hydrothermal synthesis, photoluminescence and photocatalytic properties of two silver(I) complexes","Journal of Solid State Chemistry","2017","253","","211","218","10.1016/j.jssc.2017.05.009","","","0.71073","MoKα","","0.0464","0.0326","","","0.0911","0.1306","","","","","","1.163","","","","has coordinates","261997","2021-02-16","08:25:00",""
"1560404","10.3711","0.0006","20.6312","0.0012","13.0143","0.0007","90","","111.382","0.001","90","","2593","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O6 Zn -","- C30 H24 N2 O6 Zn -","- C120 H96 N8 O24 Zn4 -","4","1","","Zhang, Xiaoxing; Tan, Jipeng; Xu, Xinxin; Shi, Fanian; Li, Guanglu; Yang, Yiqiao","A coordination polymer based magnetic adsorbent material for hemoglobin isolation from human whole blood, highly selective and recoverable","Journal of Solid State Chemistry","2017","253","","219","226","10.1016/j.jssc.2017.05.020","","","0.71073","MoKα","","0.0469","0.0415","","","0.1333","0.1392","","","","","","1.142","","","","has coordinates","261998","2021-02-16","08:29:35",""
"1560405","9.5816","0.0005","11.9929","0.0007","16.8649","0.0009","90","","99.917","0.002","90","","1909.01","0.18","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 Ni O12 S -","- C12 H18 N4 Ni O12 S -","- C48 H72 N16 Ni4 O48 S4 -","4","0.5","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.0714","0.0536","","","0.1343","0.1524","","","","","","1.09","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560406","12.624","0.004","13.183","0.006","15.184","0.006","90","","120.778","0.019","90","","2171","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cd2 N16 O18 -","- C36 H30 Cd2 N16 O18 -","- C72 H60 Cd4 N32 O36 -","2","0.5","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.1188","0.1055","","","0.3295","0.3381","","","","","","1.435","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560407","6.3143","0.0002","7.78","0.0003","20.4665","0.0008","90","","94.159","0.002","90","","1002.77","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N2 O7 S Zn -","- C6 H9 N2 O7 S Zn -","- C24 H36 N8 O28 S4 Zn4 -","4","1","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.0327","0.0287","","","0.071","0.073","","","","","","1.056","","","","has coordinates","261999","2021-02-16","08:37:06",""
"1560408","9.905","0.003","7.82","0.002","13.477","0.004","90","","92.177","0.003","90","","1043.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cd N2 O7 S -","- C6 H9 Cd N2 O7 S -","- C24 H36 Cd4 N8 O28 S4 -","4","1","","Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang","Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence","Journal of Solid State Chemistry","2017","253","","231","237","10.1016/j.jssc.2017.06.001","","","0.71073","MoKα","","0.022","0.0194","","","0.0724","0.0881","","","","","","1.355","","","","has coordinates","261999","2021-02-16","08:37:06",""
"1560409","20.7431","0.0008","6.3873","0.0002","17.4741","0.0007","90","","90","","90","","2315.19","0.15","303","2","303","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 K3 Li3 O27 Y7 -","- B9 K3 Li3 O27 Y7 -","- B36 K12 Li12 O108 Y28 -","4","1","","Bräuchle, Sebastian; Huppertz, Hubert","Synthesis and structural characterization of Li3K3Y7(BO3)9","Journal of Solid State Chemistry","2017","253","","242","248","10.1016/j.jssc.2017.05.044","","","0.71073","MoKα","","0.0472","0.0338","","","0.0592","0.0627","","","","","","1.029","","","","has coordinates","262000","2021-02-16","08:42:23",""
"1560410","9.5203","0.0003","8.2098","0.0002","13.164","0.0004","90","","90.192","0.002","90","","1028.89","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl5 Cs -","- Ba2 Cl5 Cs -","- Ba8 Cl20 Cs4 -","4","1","","Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A.","Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5","Journal of Solid State Chemistry","2017","253","","258","262","10.1016/j.jssc.2017.05.029","","","0.71073","MoKα","","0.0424","0.0259","","","0.04","0.0433","","","","","","0.991","","","","has coordinates","262001","2021-02-16","08:47:16",""
"1560411","8.7897","0.0002","8.7897","0.0002","14.3415","0.0004","90","","90","","90","","1108.01","0.05","100","2","100","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba5 Cl Cs Se9 Ti2 -","- Ba5 Cl Cs Se9 Ti2 -","- Ba10 Cl2 Cs2 Se18 Ti4 -","2","0.0625","","Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A.","Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5","Journal of Solid State Chemistry","2017","253","","258","262","10.1016/j.jssc.2017.05.029","","","0.71073","MoKα","","0.0194","0.0193","","","0.0513","0.0514","","","","","","1.752","","","","has coordinates","262001","2021-02-16","08:47:17",""
"1560412","12.2456","0.0006","12.2456","0.0006","15.208","0.0011","90","","90","","90","","2280.5","0.2","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Eu N3 O9 Zn -","- C24 H16 Eu N3 O9 Zn -","- C96 H64 Eu4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0912","0.0695","","","0.1658","0.1784","","","","","","1.027","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560413","12.2428","0.0004","12.2428","0.0004","15.1663","0.0011","90","","90","","90","","2273.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 Gd N3 O9 Zn -","- C24 H16 Gd N3 O9 Zn -","- C96 H64 Gd4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0676","0.0502","","","0.1062","0.1155","","","","","","1.02","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560414","12.2203","0.0005","12.2203","0.0005","15.0611","0.001","90","","90","","90","","2249.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 Dy N3 O9 Zn -","- C24 H16 Dy N3 O9 Zn -","- C96 H64 Dy4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0929","0.071","","","0.1679","0.1868","","","","","","1.03","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560415","12.222","0.001","12.222","0.001","15.0661","0.0018","90","","90","","90","","2250.5","0.4","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Ho N3 O9 Zn -","- C24 H16 Ho N3 O9 Zn -","- C96 H64 Ho4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.153","0.1094","","","0.2668","0.3137","","","","","","1.038","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560416","12.1929","0.0004","12.1929","0.0004","15.0143","0.0007","90","","90","","90","","2232.13","0.15","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Er N3 O9 Zn -","- C24 H16 Er N3 O9 Zn -","- C96 H64 Er4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1056","0.0824","","","0.1733","0.1874","","","","","","1.087","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560417","12.2125","0.0004","12.2125","0.0004","15.0593","0.0006","90","","90","","90","","2246.02","0.14","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tm Zn -","- C24 H16 N3 O9 Tm Zn -","- C96 H64 N12 O36 Tm4 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1007","0.0887","","","0.2262","0.2376","","","","","","1.076","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560418","12.1961","0.0006","12.1961","0.0006","14.9534","0.0009","90","","90","","90","","2224.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Yb Zn -","- C24 H16 N3 O9 Yb Zn -","- C96 H64 N12 O36 Yb4 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1116","0.0779","","","0.1819","0.2054","","","","","","1.088","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560419","12.207","0.0006","12.207","0.0006","15.0352","0.0009","90","","90","","90","","2240.4","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Lu N5 O9 Zn -","- C24 H16 Lu N3 O9 Zn -","- C96 H64 Lu4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1238","0.1051","","","0.2588","0.2832","","","","","","1.065","","","","has coordinates","262002","2021-02-16","09:19:56",""
"1560420","9.4268","0.0014","19.868","0.003","10.1096","0.0014","90","","97.837","0.004","90","","1875.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 N6 O6 Zn2 -","- C13 H6 N6 O6 Zn2 -","- C52 H24 N24 O24 Zn8 -","4","1","","Jia, Jia; Wang, Pengcheng; Chai, Juan; Ma, Bing; Sun, Jing; Chen, Xiaobo; Fan, Yong; Wang, Li; Xu, Jianing","Construction of new zinc(II) coordination polymers by 1-(triazol-1-yl)-2,4,6-benzenetricarboxylate ligand for sensitizing lanthanide(III) ions and sensing small molecules","Journal of Solid State Chemistry","2017","253","","430","437","10.1016/j.jssc.2017.06.015","","","0.71073","MoKα","","0.1457","0.1368","","","0.2929","0.2966","","","","","","1.212","","","","has coordinates","262003","2021-02-16","09:27:24",""
"1560421","9.2753","0.0019","9.853","0.002","14.085","0.003","95.54","0.03","102.59","0.03","96.25","0.03","1239.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 N5 O11 Zn2 -","- C23 H13 N5 O11 Zn2 -","- C46 H26 N10 O22 Zn4 -","2","1","","Jia, Jia; Wang, Pengcheng; Chai, Juan; Ma, Bing; Sun, Jing; Chen, Xiaobo; Fan, Yong; Wang, Li; Xu, Jianing","Construction of new zinc(II) coordination polymers by 1-(triazol-1-yl)-2,4,6-benzenetricarboxylate ligand for sensitizing lanthanide(III) ions and sensing small molecules","Journal of Solid State Chemistry","2017","253","","430","437","10.1016/j.jssc.2017.06.015","","","0.71073","MoKα","","0.0459","0.0347","","","0.0796","0.0869","","","","","","1.05","","","","has coordinates","262003","2021-02-16","09:27:25",""
"1560422","20.532","0.003","9.118","0.0015","16.593","0.003","90","","109.109","0.004","90","","2935.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 N4 O8 Zn3 -","- C18 H10 N4 O8 Zn3 -","- C72 H40 N16 O32 Zn12 -","4","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0681","0.0619","","","0.1832","0.1872","","","","","","0.978","","","","has coordinates","262004","2021-02-16","09:56:12",""
"1560423","13.1872","0.0009","10.2472","0.0007","8.044","0.0005","90","","94.952","0.002","90","","1082.94","0.12","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F6 N4 O8 Si Zn2 -","- C18 H18 F6 N4 O8 Si Zn2 -","- C36 H36 F12 N8 O16 Si2 Zn4 -","2","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0405","0.0313","","","0.0755","0.0819","","","","","","1.039","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560424","15.9369","0.0007","9.4915","0.0007","14.7569","0.0008","90","","104.629","0.002","90","","2159.8","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N3 O3 S Zn -","- C10 H7 N3 O3 S Zn -","- C80 H56 N24 O24 S8 Zn8 -","8","1","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0376","0.0287","","","0.0674","0.0716","","","","","","1.07","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560425","14.868","0.0006","10.7208","0.0006","17.4324","0.0008","90","","92.723","0.002","90","","2775.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N6 O10 S Zn2 -","- C28 H22 N6 O10 S Zn2 -","- C112 H88 N24 O40 S4 Zn8 -","4","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0363","0.0294","","","0.0692","0.0726","","","","","","1.066","","","","has coordinates,has disorder","262004","2021-02-16","09:56:13",""
"1560426","8.2628","0.0002","8.6257","0.0002","13.0056","0.0004","91.329","0.001","92.549","0.001","96.17","0.001","920.29","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 O8 Zn -","- C18 H18 N4 O8 Zn -","- C36 H36 N8 O16 Zn2 -","2","1","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0252","0.0232","","","0.0564","0.0573","","","","","","1.037","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560427","8.2591","0.0014","8.6105","0.0014","13.502","0.002","91.409","0.002","92.125","0.003","96.403","0.003","953.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cd N4 O8 -","- C18 H18 Cd N4 O8 -","- C36 H36 Cd2 N8 O16 -","2","1","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.0263","0.0243","","","0.0606","0.0621","","","","","","1.121","","","","has coordinates","262004","2021-02-16","09:56:13",""
"1560428","13.9427","0.0005","11.0333","0.0004","7.3723","0.0003","90","","100.215","0.001","90","","1116.13","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd2 N4 O12 S -","- C18 H14 Cd2 N4 O12 S -","- C36 H28 Cd4 N8 O24 S2 -","2","0.5","","Wang, Xin-Fang; Zhou, Sheng-Bin; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and properties","Journal of Solid State Chemistry","2017","252","","72","85","10.1016/j.jssc.2017.04.039","","","0.71073","MoKα","","0.1177","0.0575","","","0.292","0.292","","","","","","1.015","","","","has coordinates,has disorder","262004","2021-02-16","09:56:13",""
"1560429","39.982","0.003","39.982","0.003","9.0356","0.0008","90","","90","","120","","12508.8","1.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H18 Eu N O10 -","- C24 H18 Eu N O10 -","- C432 H324 Eu18 N18 O180 -","18","1","","Ma, Ranran; Chen, Zhiwei; Wang, Suna; Yao, Qingxia; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Solvent-induced assembly of two helical Eu(III) metal-organic frameworks and fluorescence sensing activities towards nitrobenzene and Cu 2+ ions","Journal of Solid State Chemistry","2017","252","","142","151","10.1016/j.jssc.2017.05.018","","","0.71073","MoKα","","0.061","0.0429","","","0.1309","0.1396","","","","","","1.005","","","","has coordinates","262005","2021-02-16","10:08:20",""
"1560430","35.313","0.003","35.313","0.003","8.7513","0.0009","90","","90","","90","","10912.9","1.7","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H24 Eu N O10 -","- C26 H24 Eu N O10 -","- C416 H384 Eu16 N16 O160 -","16","1","","Ma, Ranran; Chen, Zhiwei; Wang, Suna; Yao, Qingxia; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Solvent-induced assembly of two helical Eu(III) metal-organic frameworks and fluorescence sensing activities towards nitrobenzene and Cu 2+ ions","Journal of Solid State Chemistry","2017","252","","142","151","10.1016/j.jssc.2017.05.018","","","0.71073","MoKα","","0.0749","0.0436","","","0.0956","0.1094","","","","","","1.007","","","","has coordinates","262005","2021-02-16","10:08:21",""
"1560431","16.7319","0.0005","16.7319","0.0005","10.0975","0.0003","90","","90","","90","","2826.86","0.15","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- Ca2 H3 O17 P4 Zn3.5 -","- Ca2 H3 O17 P4 Zn3.5 -","- Ca16 H24 O136 P32 Zn28 -","8","1","","Chang, Tong-Ying; Hu, Chun-Li; Yan, Dong; Mao, Jiang-Gao","(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates","Journal of Solid State Chemistry","2017","251","","19","25","10.1016/j.jssc.2017.04.008","","","0.71073","MoKα","","0.0321","0.0291","","","0.0686","0.0708","","","","","","1.098","","","","has coordinates","262006","2021-02-16","10:35:21",""
"1560432","8.092","0.0007","9.1506","0.0006","9.8208","0.0008","90","","100.868","0.008","90","","714.15","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cd3 H2 O16 P4 -","- Ba2 Cd3 H2 O16 P4 -","- Ba4 Cd6 H4 O32 P8 -","2","0.5","","Chang, Tong-Ying; Hu, Chun-Li; Yan, Dong; Mao, Jiang-Gao","(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates","Journal of Solid State Chemistry","2017","251","","19","25","10.1016/j.jssc.2017.04.008","","","0.71073","MoKα","","0.037","0.0299","","","0.0629","0.0673","","","","","","1.041","","","","has coordinates","262006","2021-02-16","10:35:21",""
"1560433","11.3359","0.0004","12.6499","0.0004","22.992","0.0009","86.976","0.003","83.813","0.003","69.051","0.003","3060.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H69 N O19 Tb -","- C55 H69 N O19 Tb -","- C110 H138 N2 O38 Tb2 -","2","1","","Viana, R.S.; Oliveira, C.A.F.; Chojnacki, J.; Barros, B.S.; Alves-Jr, S.; Kulesza, J.","Structural and spectroscopic investigation of new luminescent hybrid materials based on calix[4]arene-tetracarboxylate and Ln 3+ ions (Ln = Gd, Tb or Eu)","Journal of Solid State Chemistry","2017","251","","26","32","10.1016/j.jssc.2017.04.002","","x-ray","0.71073","MoKα","","0.0653","0.0545","","","0.1394","0.151","","","","","","1.074","","","","has coordinates,has disorder","262008","2021-02-16","10:45:49",""
"1560434","9.7879","0.0011","9.792","0.0011","12.7226","0.0015","96.074","0.004","112.33","0.003","94.08","0.004","1113.4","0.2","303","2","303","2","","","","","","","","5","P 1","P 1","1","barium boron aluminum silicon nitride","","","- Al4 B2 Ba5 N52 Si32 -","- Al3.9996 B2 Ba5 N52 Si32.0012 -","- Al3.9996 B2 Ba5 N52 Si32.0012 -","1","1","","Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto","Synthesis and crystal structure of a new aluminum-silicon-nitride phosphor containing boron, Ba 5 B 2 Al 4 Si 32 N 52 :Eu","Journal of Solid State Chemistry","2017","251","","43","49","10.1016/j.jssc.2017.03.028","","","0.71073","MoKα","","0.0591","0.0584","","","0.1561","0.1568","","","","","","1.069","","","","has coordinates","262009","2021-02-16","10:52:10",""
"1560438","11.2079","0.0005","3.9686","0.0002","44.1642","0.0018","90","","90","","90","","1964.41","0.15","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","neodymium cobalt indium sulfide (7/1/1/13)","neodymium cobalt indium sulfide (7/1/1/13)","","- Fe In Nd7 S13 -","- Fe In Nd7 S13 -","- Fe4 In4 Nd28 S52 -","4","0.5","","Iyer, Abishek K.; Yin, Wenlong; Stoyko, Stanislav S.; Rudyk, Brent W.; Mar, Arthur","Quaternary rare-earth sulfides Nd 7 FeInS 13 and Pr 7 CoInS 13","Journal of Solid State Chemistry","2017","251","","50","54","10.1016/j.jssc.2017.04.010","","","0.71073","MoKα","","0.0365","0.0289","","","0.065","0.0674","","","","","","1.11","","","","has coordinates","262024","2021-02-17","09:23:54",""
"1560439","11.2303","0.0006","3.9876","0.0002","44.506","0.002","90","","90","","90","","1993.07","0.17","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","praseodymium cobalt indium sulfide (7/1/1/13)","praseodymium cobalt indium sulfide (7/1/1/13)","","- Co In Pr7 S13 -","- Co In Pr7 S13 -","- Co4 In4 Pr28 S52 -","4","0.5","","Iyer, Abishek K.; Yin, Wenlong; Stoyko, Stanislav S.; Rudyk, Brent W.; Mar, Arthur","Quaternary rare-earth sulfides Nd 7 FeInS 13 and Pr 7 CoInS 13","Journal of Solid State Chemistry","2017","251","","50","54","10.1016/j.jssc.2017.04.010","","","0.71073","MoKα","","0.0788","0.0415","","","0.0741","0.0848","","","","","","1.008","","","","has coordinates","262025","2021-02-17","09:25:17",""
"1560440","9.6327","0.0003","20.6934","0.0007","10.3704","0.0003","90","","100.646","0.003","90","","2031.58","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cu2 Ge Mn N6 Se5 -","- C6 Cu2 Ge Mn N6 Se5 -","- C24 Cu8 Ge4 Mn4 N24 Se20 -","4","1","","Zhang, Yingying; Hu, Dandan; Yang, Huajun; Lin, Jian; Wu, Tao","Synthesis, crystal structure, near-IR photoelectric response of two 1-D selenides: [Cu 2 MSe 5 ]·[Mn(H + -en) 2 (en)] (M=Ge, Sn)","Journal of Solid State Chemistry","2017","251","","61","64","10.1016/j.jssc.2017.04.006","","","0.71073","MoKα","","0.0461","0.0332","","","0.0757","0.0804","","","","","","1.044","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560441","9.64","0.004","21.044","0.01","10.611","0.005","90","","100.72","0.05","90","","2115","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cu2 Mn N6 Se5 Sn -","- C6 Cu2 Mn N6 Se5 Sn -","- C24 Cu8 Mn4 N24 Se20 Sn4 -","4","1","","Zhang, Yingying; Hu, Dandan; Yang, Huajun; Lin, Jian; Wu, Tao","Synthesis, crystal structure, near-IR photoelectric response of two 1-D selenides: [Cu 2 MSe 5 ]·[Mn(H + -en) 2 (en)] (M=Ge, Sn)","Journal of Solid State Chemistry","2017","251","","61","64","10.1016/j.jssc.2017.04.006","","","0.71073","MoKα","","0.0461","0.033","","","0.0777","0.0823","","","","","","1.042","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560442","15.7871","0.0006","15.7871","0.0006","19.7992","0.0016","90","","90","","90","","4934.6","0.5","293","2","293","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- Ce8 S15 Sb2 -","- Ce8 S15 Sb2 -","- Ce64 S120 Sb16 -","8","0.5","","Zhao, Hua-Jun; Zhong, Xiao-Ai","Synthesis, crystal structure, and optical properties of the noncentrosymmetric sulfide Ce 8 Sb 2 S 15","Journal of Solid State Chemistry","2017","251","","65","69","10.1016/j.jssc.2017.04.011","","","0.71073","MoKα","","0.0225","0.022","","","0.0457","0.0459","","","","","","1.143","","","","has coordinates","262027","2021-02-17","09:39:10",""
"1560443","8.5524","0.0016","9.5677","0.0018","11.444","0.002","89.151","0.002","69.103","0.002","73.378","0.002","834.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C44 H34 N6 -","2","1","","Yuan, Fei; Wang, Ting-Ting; Hu, Huai-Ming; Li, Chuan-Ti; Zhou, Chun-Sheng; Wang, Xiaofang; Xue, Ganglin","Two luminescent d 10 metal coordination polymers assembled from a semirigid terpyridyl carboxylate ligand with high selective detecting of Cu 2+ , Cr 2 O 7 2- and acetone","Journal of Solid State Chemistry","2017","251","","79","89","10.1016/j.jssc.2017.04.014","","","0.71073","MoKα","","0.0655","0.0472","","","0.1268","0.1437","","","","","","1.068","","","","has coordinates","262028","2021-02-17","09:45:21",""
"1560444","15.102","0.006","15.117","0.006","17.397","0.007","86.631","0.005","69.642","0.004","79.346","0.005","3659","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 N12 O9 Zn2 -","- C88 H56 N12 O9 Zn2 -","- C176 H112 N24 O18 Zn4 -","2","1","","Yuan, Fei; Wang, Ting-Ting; Hu, Huai-Ming; Li, Chuan-Ti; Zhou, Chun-Sheng; Wang, Xiaofang; Xue, Ganglin","Two luminescent d 10 metal coordination polymers assembled from a semirigid terpyridyl carboxylate ligand with high selective detecting of Cu 2+ , Cr 2 O 7 2- and acetone","Journal of Solid State Chemistry","2017","251","","79","89","10.1016/j.jssc.2017.04.014","","","0.71073","MoKα","","0.1221","0.0847","","","0.2262","0.2488","","","","","","1.04","","","","has coordinates","262028","2021-02-17","09:45:21",""
"1560445","35.07","0.02","7.469","0.005","21.491","0.014","90","","120.585","0.011","90","","4846","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H31 N8 O11 Zn2 -","- C49 H31 N8 O11 Zn2 -","- C196 H124 N32 O44 Zn8 -","4","0.5","","Yuan, Fei; Wang, Ting-Ting; Hu, Huai-Ming; Li, Chuan-Ti; Zhou, Chun-Sheng; Wang, Xiaofang; Xue, Ganglin","Two luminescent d 10 metal coordination polymers assembled from a semirigid terpyridyl carboxylate ligand with high selective detecting of Cu 2+ , Cr 2 O 7 2- and acetone","Journal of Solid State Chemistry","2017","251","","79","89","10.1016/j.jssc.2017.04.014","","","0.71073","MoKα","","0.1701","0.0883","","","0.1991","0.2443","","","","","","1.052","","","","has coordinates","262028","2021-02-17","09:45:22",""
"1560446","9.827","0.002","15.592","0.003","12.954","0.003","90","","102.59","0.03","90","","1937.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cu4 I4 N8 O0 -","- C32 H36 Cu4 I4 N8 -","- C64 H72 Cu8 I8 N16 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0346","0.0296","","","0.0613","0.0628","","","","","","1.059","","","","has coordinates","262029","2021-02-17","10:12:54",""
"1560447","10.0197","0.0008","7.6791","0.0006","22.4578","0.0018","90","","101.735","0.003","90","","1691.8","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu I N4 -","- C18 H14 Cu I N4 -","- C72 H56 Cu4 I4 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0492","0.0375","","","0.1027","0.1179","","","","","","1.115","","","","has coordinates","262029","2021-02-17","10:12:56",""
"1560448","12.75","0.003","4.3315","0.0009","18.209","0.004","90","","97.92","0.03","90","","996","0.4","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C11 H16 Cu4 I4 N4 O0 -","- C11 H16 Cu4 I4 N4 -","- C22 H32 Cu8 I8 N8 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0474","0.0383","","","0.0896","0.0917","","","","","","1.078","","","","has coordinates","262029","2021-02-17","10:12:56",""
"1560449","4.1668","0.0008","11.069","0.002","11.972","0.002","114.32","0.03","98.43","0.03","91.08","0.03","495.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu4 I4 N4 O0 -","- C12 H10 Cu4 I4 N4 -","- C12 H10 Cu4 I4 N4 -","1","0.5","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.0442","0.0378","","","0.1106","0.1131","","","","","","1.117","","","","has coordinates","262029","2021-02-17","10:12:56",""
"1560450","42.929","0.009","9.984","0.002","19.943","0.004","90","","114.93","0.03","90","","7751","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H35 Cu4 I4 N8 -","- C28 H35 Cu4 I4 N8 -","- C224 H280 Cu32 I32 N64 -","8","1","","Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing","New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property","Journal of Solid State Chemistry","2017","251","","176","185","10.1016/j.jssc.2017.04.022","","","0.71073","MoKα","","0.097","0.0595","","","0.1064","0.1193","","","","","","1.053","","","","has coordinates,has disorder","262031","2021-02-17","10:16:48",""
"1560451","21.928","0.0018","9.1121","0.0007","29.51","0.002","90","","131.273","0.007","90","","4431.6","0.8","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Ba4 O19 P4 -","- C30 H46 Ba4 O19 P4 -","- C120 H184 Ba16 O76 P16 -","4","1","","Melánová, Klára; Beneš, Ludvík; Zima, Vítězslav; Svoboda, Jan; Růžička, Aleš","Intercalation of alcohols into barium phenylphosphonate: Influence of the number and position of functional groups in the guests on their arrangement in the intercalates","Journal of Solid State Chemistry","2017","251","","211","216","10.1016/j.jssc.2017.04.030","","","0.71073","MoKα","","0.0952","0.0481","","","0.12","0.1496","","","","","","1.056","","","","has coordinates,has disorder","262034","2021-02-17","10:28:14",""
"1560452","9.6429","0.0019","13.596","0.003","20.27","0.004","84.83","0.03","83.61","0.03","75.82","0.03","2555.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H18 Eu2 N0 O16 -","- C36 H18 Eu2 O16 -","- C72 H36 Eu4 O32 -","2","1","","Zhu, Yajing; Wang, Li; Chen, Xiaodong; Wang, Pengcheng; Fan, Yong; Zhang, Ping","3D lanthanide metal-organic frameworks constructed from 2,6-naphthalenedicarboxylate ligand: synthesis, structure, luminescence and dye adsorption","Journal of Solid State Chemistry","2017","251","","248","254","10.1016/j.jssc.2017.04.026","","","0.71073","MoKα","","0.1196","0.0849","","","0.2157","0.2379","","","","","","1.057","","","","has coordinates","262035","2021-02-17","10:34:31",""
"1560453","13.7835","0.0005","12.1638","0.0005","15.233","0.0008","90","","90","","90","","2553.96","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Ag N4 O4 -","- C9 H15 Ag N4 O4 -","- C72 H120 Ag8 N32 O32 -","8","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0521","0.0321","","","0.0616","0.07","","","","","","1.018","","","","has coordinates","262038","2021-02-17","12:36:30",""
"1560454","8.4289","0.0004","14.2333","0.0005","9.8016","0.0004","90","","103.993","0.004","90","","1141.01","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Ag N4 O3 -","- C9 H13 Ag N4 O3 -","- C36 H52 Ag4 N16 O12 -","4","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0688","0.0467","","","0.0945","0.105","","","","","","1.051","","","","has coordinates","262038","2021-02-17","12:36:34",""
"1560455","10.2426","0.0004","18.4626","0.0006","15.893","0.0007","90","","101.177","0.004","90","","2948.4","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Ag3 N9 O12 -","- C18 H32 Ag3 N9 O12 -","- C72 H128 Ag12 N36 O48 -","4","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0786","0.0533","","","0.1394","0.1593","","","","","","1.039","","","","has coordinates","262038","2021-02-17","12:36:34",""
"1560456","14.8627","0.0014","6.5304","0.0005","15.4966","0.0017","90","","90","","90","","1504.1","0.2","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H16 Ag Cl N4 O4 -","- C11 H16 Ag Cl N4 O4 -","- C44 H64 Ag4 Cl4 N16 O16 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0835","0.0568","","","0.1195","0.14","","","","","","1.006","","","","has coordinates,has disorder","262038","2021-02-17","12:36:34",""
"1560457","25.2964","0.0014","6.4765","0.0003","16.2622","0.0015","90","","90","","90","","2664.3","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H30 Ag2 N8 O8 -","- C18 H30 Ag2 N8 O8 -","- C72 H120 Ag8 N32 O32 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.092","0.0671","","","0.2007","0.2213","","","","","","1.068","","","","has coordinates,has disorder","262038","2021-02-17","12:36:35",""
"1560458","6.4359","0.0002","41.977","0.002","18.1773","0.0008","90","","90","","90","","4910.8","0.4","295","2","295","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C31 H45 Ag3 Cl3 N11 O12 -","- C31 H45 Ag3 Cl3 N11 O12 -","- C124 H180 Ag12 Cl12 N44 O48 -","4","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0698","0.0584","","","0.1499","0.1596","","","","","","1.073","","","","has coordinates","262038","2021-02-17","12:36:35",""
"1560459","8.6176","0.0005","14.088","0.0005","10.1739","0.0007","90","","109.741","0.008","90","","1162.57","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Ag2 N8 O6 -","- C18 H26 Ag2 N8 O6 -","- C36 H52 Ag4 N16 O12 -","2","0.5","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.061","0.0396","","","0.0743","0.0827","","","","","","1.021","","","","has coordinates","262038","2021-02-17","12:36:35",""
"1560460","10.099","0.002","11.881","0.002","16.868","0.003","76.62","0.03","78.22","0.03","86.49","0.03","1927.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Co2 N4 O11 S -","- C36 H26 Co2 N4 O10.5 S -","- C72 H52 Co4 N8 O21 S2 -","2","1","","Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan","Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand","Journal of Solid State Chemistry","2017","250","","6","13","10.1016/j.jssc.2017.03.010","","","0.71073","MoKα","","0.0986","0.0595","","","0.1396","0.153","","","","","","0.903","","","","has coordinates,has disorder","262056","2021-02-18","09:36:35",""
"1560461","11.2036","0.0005","11.2036","0.0005","29.896","0.002","90","","90","","90","","3752.6","0.3","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H36 N4 Ni2 O15 S -","- C36 H36 N4 Ni2 O15 S -","- C144 H144 N16 Ni8 O60 S4 -","4","0.5","","Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan","Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand","Journal of Solid State Chemistry","2017","250","","6","13","10.1016/j.jssc.2017.03.010","","","0.71073","MoKα","","0.0608","0.0595","","","0.1412","0.1419","","","","","","1.192","","","","has coordinates,has disorder","262056","2021-02-18","09:36:36",""
"1560462","10.3179","0.0007","10.3179","0.0007","5.8107","0.0004","90","","90","","120","","535.72","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum cobalt germanium sulfide (3/0.5/1/7)","lanthanum cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge La3 S7 -","- Co0.5 Ge La3 S7 -","- Co Ge2 La6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0265","0.0242","","","0.0438","0.0447","","","","","","1.1","","","","has coordinates","262057","2021-02-18","09:49:21",""
"1560463","10.206","0.003","10.206","0.003","5.7906","0.0017","90","","90","","120","","522.4","0.3","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium cobalt germanium sulphide (3/0.5/1/7)","cerium cobalt germanium sulphide (3/0.5/1/7)","","- Ce3 Co0.5 Ge S7 -","- Ce3 Co0.5 Ge S7 -","- Ce6 Co Ge2 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0623","0.0431","","","0.0843","0.0922","","","","","","1.084","","","","has coordinates","262058","2021-02-18","09:53:46",""
"1560464","10.1306","0.0006","10.1306","0.0006","5.7785","0.0004","90","","90","","120","","513.59","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium cobalt germanium sulphide (3/0.5/1/7)","praseodymium cobalt germanium sulphide (3/0.5/1/7)","","- Co0.5 Ge Pr3 S7 -","- Co0.5 Ge Pr3 S7 -","- Co Ge2 Pr6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0257","0.0234","","","0.0464","0.0475","","","","","","1.136","","","","has coordinates","262059","2021-02-18","09:57:16",""
"1560465","10.0775","0.0006","10.0775","0.0006","5.7704","0.0003","90","","90","","120","","507.51","0.05","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium cobalt germanium sulfide (3/0.5/1/7)","neodymium cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge Nd3 S7 -","- Co0.5 Ge Nd3 S7 -","- Co Ge2 Nd6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0224","0.0206","","","0.0429","0.0435","","","","","","1.107","","","","has coordinates","262060","2021-02-18","09:59:59",""
"1560466","9.9742","0.0014","9.9742","0.0014","5.7393","0.0008","90","","90","","120","","494.48","0.12","296","2","296","2","","","","","","","","4","P 63","P 6c","173","samarium cobalt germanium sulfide (3/0.5/1/7)","samarium cobalt germanium sulfide (3/0.5/1/7)","","- Co0.5 Ge S7 Sm3 -","- Co0.5 Ge S7 Sm3 -","- Co Ge2 S14 Sm6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0234","0.0196","","","0.0327","0.0335","","","","","","1.074","","","","has coordinates","262061","2021-02-18","10:02:35",""
"1560467","10.2983","0.0004","10.2983","0.0004","5.8078","0.0002","90","","90","","120","","533.42","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum nickel germanium sulfide (3/0.5/1/7)","lanthanum nickel germanium sulfide (3/0.5/1/7)","","- Ge La3 Ni0.5 S7 -","- Ge La3 Ni0.5 S7 -","- Ge2 La6 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0233","0.0214","","","0.0398","0.0406","","","","","","1.175","","","","has coordinates","262062","2021-02-18","10:04:45",""
"1560468","10.2052","0.0013","10.2052","0.0013","5.7921","0.0007","90","","90","","120","","522.41","0.11","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium nickel germanium sulfide (3/0.5/1/7)","cerium nickel germanium sulfide (3/0.5/1/7)","","- Ce3 Ge Ni0.5 S7 -","- Ce3 Ge Ni0.5 S7 -","- Ce6 Ge2 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0436","0.0328","","","0.0607","0.0639","","","","","","1.068","","","","has coordinates","262063","2021-02-18","10:06:53",""
"1560469","10.1303","0.0004","10.1303","0.0004","5.7752","0.0002","90","","90","","120","","513.27","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium nickel germanium sulfide (3/0.5/1/7)","praseodymium nickel germanium sulfide (3/0.5/1/7)","","- Ge Ni0.5 Pr3 S7 -","- Ge Ni0.5 Pr3 S7 -","- Ge2 Ni Pr6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0209","0.0195","","","0.0394","0.04","","","","","","1.088","","","","has coordinates","262064","2021-02-18","10:09:15",""
"1560470","10.076","0.0003","10.076","0.0003","5.7605","0.0002","90","","90","","120","","506.49","0.03","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium nickel germanium sulfide (3/0.5/1/7)","neodymium nickel germanium sulfide (3/0.5/1/7)","","- Ge Nd3 Ni0.5 S7 -","- Ge Nd3 Ni0.5 S7 -","- Ge2 Nd6 Ni S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0131","0.0129","","","0.0298","0.0299","","","","","","1.104","","","","has coordinates","262065","2021-02-18","10:14:42",""
"1560471","9.9642","0.0008","9.9642","0.0008","5.7436","0.0005","90","","90","","120","","493.86","0.07","296","2","296","2","","","","","","","","4","P 63","P 6c","173","samarium nickel germanium sulfide (3/0.5/1/7)","samarium nickel germanium sulfide (3/0.5/1/7)","","- Ge Ni0.5 S7 Sm3 -","- Ge Ni0.5 S7 Sm3 -","- Ge2 Ni S14 Sm6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0361","0.0301","","","0.0581","0.0599","","","","","","1.137","","","","has coordinates","262066","2021-02-18","10:18:05",""
"1560472","9.7891","0.0003","9.7891","0.0003","5.684","0.0004","90","","90","","120","","471.7","0.04","296","2","296","2","","","","","","","","4","P 63","P 6c","173","yttrium palladium silicon sulfide (3/0.5/1/7)","yttrium palladium silicon sulfide (3/0.5/1/7)","","- Pd0.5 S7 Si Y3 -","- Pd0.5 S7 Si Y3 -","- Pd S14 Si2 Y6 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur","Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7","Journal of Solid State Chemistry","2017","250","","14","23","10.1016/j.jssc.2017.03.009","","","0.71073","MoKα","","0.0542","0.0413","","","0.102","0.1084","","","","","","1.117","","","","has coordinates","262067","2021-02-18","10:20:33",""
"1560473","9.5865","0.0006","14.4713","0.001","18.8006","0.0013","72.909","0.004","81.6","0.004","80.627","0.004","2446.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 Ag3 Cl N6 O8.5 S4 -","- C33 H30 Ag3 Cl N6 O8.5 S4 -","- C66 H60 Ag6 Cl2 N12 O17 S8 -","2","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.0968","0.0629","","","0.2017","0.2312","","","","","","1.07","","","","has coordinates","262068","2021-02-18","10:34:03",""
"1560474","18.1097","0.0017","13.7799","0.0013","13.7122","0.0013","90","","102.173","0.005","90","","3344.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Ag2 N4 O12 S3 -","- C24 H36 Ag2 N4 O12 S3 -","- C96 H144 Ag8 N16 O48 S12 -","4","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.0821","0.0721","","","0.1937","0.2017","","","","","","1.108","","","","has coordinates,has disorder","262069","2021-02-18","10:36:10",""
"1560475","9.2928","0.0003","12.4583","0.0004","14.6523","0.0005","94.773","0.002","107.039","0.002","101.15","0.002","1573.47","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Ag2 N4 O5 S3 -","- C22 H20 Ag2 N4 O5 S3 -","- C44 H40 Ag4 N8 O10 S6 -","2","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.1149","0.0756","","","0.2328","0.2751","","","","","","1.039","","","","has coordinates","262070","2021-02-18","10:38:07",""
"1560476","9.3395","0.0006","17.348","0.001","19.9539","0.0012","96.923","0.004","95.561","0.004","98.648","0.004","3151","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Ag4 N8 O13 S6 -","- C44 H40 Ag4 N8 O13 S6 -","- C88 H80 Ag8 N16 O26 S12 -","2","1","","Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo; Wan, Chong-Qing","Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site","Journal of Solid State Chemistry","2017","250","","24","31","10.1016/j.jssc.2017.03.012","","","0.71073","MoKα","","0.1045","0.0784","","","0.2479","0.278","","","","","","1.029","","","","has coordinates","262071","2021-02-18","10:40:23",""
"1560477","10.2293","0.0003","34.4803","0.001","10.7355","0.0003","90","","109.985","0.003","90","","3558.5","0.19","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H31 N13 O13 Zn3 -","- C21 H27 N13 O13 Zn3 -","- C84 H108 N52 O52 Zn12 -","4","1","","Wang, Xiao-Bing; Lu, Wen-Guan; Zhong, Di-Chang","Two Zinc(II) metal-organic frameworks with mixed ligands of 5-amino-tetrazolate and l,2,4,5-benzenetetracarboxylate: Synthesis, structural diversity and photoluminescent properties","Journal of Solid State Chemistry","2017","250","","83","89","10.1016/j.jssc.2016.11.005","","","0.71073","MoKα","","0.0866","0.0646","","","0.1332","0.1437","","","","","","1.091","","","","has coordinates,has disorder","262072","2021-02-18","10:47:17",""
"1560478","6.7278","0.0002","16.0335","0.0005","8.9985","0.0003","90","","108.883","0.004","90","","918.43","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N7 O9 Zn2 -","- C15 H17 N7 O9 Zn2 -","- C30 H34 N14 O18 Zn4 -","2","1","","Wang, Xiao-Bing; Lu, Wen-Guan; Zhong, Di-Chang","Two Zinc(II) metal-organic frameworks with mixed ligands of 5-amino-tetrazolate and l,2,4,5-benzenetetracarboxylate: Synthesis, structural diversity and photoluminescent properties","Journal of Solid State Chemistry","2017","250","","83","89","10.1016/j.jssc.2016.11.005","","","0.71073","MoKα","","0.035","0.0319","","","0.0645","0.0666","","","","","","1.021","","","","has coordinates","262072","2021-02-18","10:47:17",""
"1560479","16.7714","0.0008","16.7714","0.0008","14.4687","0.0014","90","","90","","120","","3524.5","0.4","130","2","130","2","","","","","","","","6","P -6 2 m","P -6 -2","189","","","","- C54 H30 Cr3 N6 O28 Zn3 -","- C54 H30 Cr3 N6 O28 Zn3 -","- C54 H30 Cr3 N6 O28 Zn3 -","1","0.0833333","","Xue, Chen; Yao, Zhi-Yuan; Liu, Shao-Xian; Luo, Hong-Bin; Zou, Yang; Li, Li; Ren, Xiao-Ming","Dielectric anomaly and relaxation natures in a Zn-Cr pillar−layered metal−organic framework with cages and channels","Journal of Solid State Chemistry","2017","250","","107","113","10.1016/j.jssc.2017.03.029","","","0.71073","MoKα","","0.067","0.0609","","","0.159","0.1638","","","","","","1.003","","","","has coordinates","262073","2021-02-18","10:54:06",""
"1560483","8.6717","0.0002","8.6717","0.0002","18.6492","0.0005","90","","90","","90","","1402.39","0.06","300","2","300","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Ba3 Cl0.91 O14.09 Si4 Ti2 -","- Ba3 Cl0.911 O14.089 Si4 Ti2 -","- Ba12 Cl3.644 O56.356 Si16 Ti8 -","4","0.25","","Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","A fresnoite-structure-related mixed valent titanium(III/IV) chlorosilicate, Ba3Ti2Si4O14Cl: A flux crystal growth route to Ti(III) containing oxides","Journal of Solid State Chemistry","2017","250","","128","133","10.1016/j.jssc.2017.03.026","","","0.71073","MoKα","","0.0189","0.0156","","","0.0337","0.0344","","","","","","1.215","","","","has coordinates","262089","2021-02-19","10:23:22",""
"1560484","11.0445","0.001","7.008","0.0006","4.9633","0.0005","90","","90","","90","","384.16","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- H O5 Te V -","- H O5 Te V -","- H4 O20 Te4 V4 -","4","1","","Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang","New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 )","Journal of Solid State Chemistry","2017","249","","21","26","10.1016/j.jssc.2017.02.016","","","0.71073","MoKα","","0.0369","0.0352","","","0.0837","0.0853","","","","","","1.084","","","","has coordinates","262090","2021-02-19","10:43:38",""
"1560485","19.8104","0.0013","5.6194","0.0004","14.8167","0.001","90","","98.874","0.006","90","","1629.69","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 O18 Te3 V4 -","- Ba2 O18 Te3 V4 -","- Ba8 O72 Te12 V16 -","4","0.5","","Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang","New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 )","Journal of Solid State Chemistry","2017","249","","21","26","10.1016/j.jssc.2017.02.016","","","0.71073","MoKα","","0.0283","0.0221","","","0.042","0.0446","","","","","","1.039","","","","has coordinates","262090","2021-02-19","10:43:40",""
"1560505","27.1271","0.0004","10.7513","0.0002","21.5858","0.0005","90","","123.496","0.0008","90","","5249.97","0.18","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 Cu2 N3 O5 -","- C25 H33 Cu2 N3 O5 -","- C200 H264 Cu16 N24 O40 -","8","1","","Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra","Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework","Journal of Solid State Chemistry","2017","249","","29","38","10.1016/j.jssc.2017.02.009","","","0.71073","MoKα","","0.0654","0.042","","","0.1074","0.1169","","","","","","1.051","","","","has coordinates","262125","2021-02-22","08:02:58",""
"1560506","8.751","0.0004","11.3271","0.0005","12.3969","0.0006","105.063","0.002","97.907","0.002","106.441","0.0016","1108.12","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu2 N2 O4 -","- C22 H26 Cu2 N2 O4 -","- C44 H52 Cu4 N4 O8 -","2","1","","Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra","Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework","Journal of Solid State Chemistry","2017","249","","29","38","10.1016/j.jssc.2017.02.009","","","0.71073","MoKα","","0.0648","0.0475","","","0.1343","0.1522","","","","","","1.027","","","","has coordinates,has disorder","262125","2021-02-22","08:03:01",""
"1560507","12.2348","0.0002","12.9403","0.0002","22.5308","0.0006","96.1084","0.0007","93.0039","0.0008","110.443","0.0009","3308.1","0.12","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Cl2 Cu4 N4 O28 -","- C48 H62 Cl2 Cu4 N4 O28 -","- C96 H124 Cl4 Cu8 N8 O56 -","2","1","","Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra","Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework","Journal of Solid State Chemistry","2017","249","","29","38","10.1016/j.jssc.2017.02.009","","","0.71073","MoKα","","0.1141","0.0726","","","0.2007","0.2455","","","","","","1.021","","","","has coordinates,has disorder","262125","2021-02-22","08:03:05",""
"1560508","6.9891","0.0003","6.8356","0.0002","11.9257","0.0005","90","","100.351","0.002","90","","560.47","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H O6 Sr Te V -","- H O6 Sr Te V -","- H4 O24 Sr4 Te4 V4 -","4","1","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0388","0.0272","","","0.0519","0.0544","","","","","","1.067","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560509","5.3673","0.0003","5.7139","0.0003","9.0124","0.0005","80.268","0.003","73.866","0.003","78.544","0.003","258.31","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cd2 O11 Te2 V2 -","- Cd2 O11 Te2 V2 -","- Cd2 O11 Te2 V2 -","1","0.5","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0509","0.0347","","","0.0694","0.0769","","","","","","1.059","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560510","12.5856","0.0004","5.3137","0.0001","20.0702","0.0006","90","","97.409","0.001","90","","1331.01","0.06","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Ca3 H2 O14 Se4 V -","- Ca3 O14 Se4 V -","- Ca12 O56 Se16 V4 -","4","1","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0345","0.0301","","","0.0707","0.0739","","","","","","1.054","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560511","16.2799","0.0005","5.3489","0.0002","11.6559","0.0005","90","","90","","90","","1014.99","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Se3 V -","- Ba2 O10 Se3 V -","- Ba8 O40 Se12 V4 -","4","0.5","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0705","0.057","","","0.1065","0.1134","","","","","","1.13","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560512","7.7419","0.0012","22.187","0.003","18.557","0.003","90","","100.744","0.003","90","","3131.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N5 O9 S Zn -","- C28 H29 N5 O9 S Zn -","- C112 H116 N20 O36 S4 Zn4 -","4","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.0868","0.0525","","","0.1452","0.1629","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:34",""
"1560513","9.8024","0.0007","10.0581","0.0011","12.584","0.0009","106.342","0.001","99.476","0.001","96.511","0.001","1157.49","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 N4 O6 S Zn -","- C25 H18 N4 O6 S Zn -","- C50 H36 N8 O12 S2 Zn2 -","2","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.0351","0.0311","","","0.0792","0.0816","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:41",""
"1560514","8.2","0.003","29.602","0.011","10.307","0.004","90","","100.392","0.007","90","","2460.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cd N4 O8 S -","- C24 H18 Cd N4 O8 S -","- C96 H72 Cd4 N16 O32 S4 -","4","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.1062","0.0683","","","0.1607","0.1792","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:41",""
"1560515","10.8309","0.0007","24.9357","0.0016","10.3484","0.0007","90","","90.238","0.001","90","","2794.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cd N4 O10 S -","- C25 H24 Cd N4 O10 S -","- C100 H96 Cd4 N16 O40 S4 -","4","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang","Four thiophene-pyridyl-amide-based Zn II /Cd II coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe 3+","Journal of Solid State Chemistry","2017","249","","51","57","10.1016/j.jssc.2017.02.018","","","0.71073","MoKα","","0.0659","0.0407","","","0.0871","0.0971","","","","","","1","","","","has coordinates","262127","2021-02-22","08:24:41",""
"1560516","7.809","0.0003","12.353","0.0005","18.497","0.0008","90","","95.18","0.002","90","","1777.02","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cu N5 S3 -","- C13 H18 Cu N5 S3 -","- C52 H72 Cu4 N20 S12 -","4","1","","Beheshti, Azizolla; Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak; Motamedi, Hossein; Mayer, Peter; Bruno, Giuseppe; Rudbari, Hadi Amiri","Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies","Journal of Solid State Chemistry","2017","249","","70","79","10.1016/j.jssc.2016.12.013","","","0.71073","MoKα","","0.0286","0.0247","","","0.0661","0.0685","","","","","","1.033","","","","has coordinates","262128","2021-02-22","08:34:25",""
"1560517","13.7494","0.0013","17.4476","0.0015","7.2151","0.0006","90","","97.615","0.002","90","","1715.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag Cl N4 O4 S2 -","- C12 H18 Ag Cl N4 O4 S2 -","- C48 H72 Ag4 Cl4 N16 O16 S8 -","4","1","","Beheshti, Azizolla; Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak; Motamedi, Hossein; Mayer, Peter; Bruno, Giuseppe; Rudbari, Hadi Amiri","Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies","Journal of Solid State Chemistry","2017","249","","70","79","10.1016/j.jssc.2016.12.013","","","0.71073","MoKα","","0.1027","0.065","","","0.0776","0.0854","","","","","","1.174","","","","has coordinates","262128","2021-02-22","08:34:26",""
"1560518","16.678","0.002","16.269","0.002","18.344","0.002","90","","106.847","0.002","90","","4763.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N2 O13 Zn2 -","- C54 H40 N2 O13 Zn2 -","- C216 H160 N8 O52 Zn8 -","4","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1123","0.0585","","","0.1007","0.1201","","","","","","1.047","","","","has coordinates","262129","2021-02-22","08:45:16",""
"1560519","16.433","0.007","16.234","0.007","19.18","0.008","90","","108.113","0.008","90","","4863","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 N2 O13 Zn2 -","- C56 H40 N2 O13 Zn2 -","- C224 H160 N8 O52 Zn8 -","4","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1718","0.0881","","","0.214","0.2785","","","","","","1.012","","","","has coordinates","262130","2021-02-22","08:46:44",""
"1560520","8.6462","0.0011","10.8124","0.0014","16.269","0.002","79.092","0.002","81.104","0.002","75.777","0.002","1438.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O7 Zn -","- C34 H26 N2 O7 Zn -","- C68 H52 N4 O14 Zn2 -","2","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.0596","0.0446","","","0.1085","0.1168","","","","","","1.035","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560521","11.2682","0.001","16.4077","0.0015","19.0071","0.0017","90.78","0.002","101.488","0.002","95.103","0.002","3428.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 N2 O18 Zn3 -","- C76 H56 N2 O18 Zn3 -","- C152 H112 N4 O36 Zn6 -","2","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1474","0.1102","","","0.3142","0.3435","","","","","","1.221","","","","has coordinates","262131","2021-02-22","08:49:59",""
"1560522","14.6653","0.0019","17.024","0.002","19.986","0.003","104.956","0.002","94.751","0.002","92.754","0.002","4791.6","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 N4 O28 Zn4 -","- C108 H80 N4 O28 Zn4 -","- C216 H160 N8 O56 Zn8 -","2","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1848","0.0724","","","0.157","0.2067","","","","","","1.061","","","","has coordinates","262131","2021-02-22","08:49:59",""
"1560523","15.618","0.005","30.821","0.011","21.761","0.007","90","","111.029","0.009","90","","9777","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H92 N4 O24 Zn4 -","- C114 H92 N4 O24 Zn4 -","- C456 H368 N16 O96 Zn16 -","4","1","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.2457","0.092","","","0.1877","0.2312","","","","","","1.057","","","","has coordinates","262132","2021-02-22","08:54:30",""
"1560524","8.327","0.01","11.049","0.013","13.902","0.016","70.07","0.02","83.13","0.02","78.23","0.02","1175","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 N4 O12 Zn2 -","- C54 H46 N4 O12 Zn2 -","- C54 H46 N4 O12 Zn2 -","1","0.5","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.1683","0.0747","","","0.1266","0.1546","","","","","","1.002","","","","has coordinates","262132","2021-02-22","08:54:30",""
"1560525","19.613","0.013","8.337","0.005","30.594","0.016","90","","92.547","0.016","90","","4998","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C216 H184 N16 O48 Zn8 -","- C216 H184 N16 O48 Zn8 -","- C216 H184 N16 O48 Zn8 -","1","0.125","","Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin","A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing","Journal of Solid State Chemistry","2017","249","","87","97","10.1016/j.jssc.2017.02.015","","","0.71073","MoKα","","0.0734","0.0472","","","0.12","0.145","","","","","","1.021","","","","has coordinates","262132","2021-02-22","08:54:31",""
"1560526","14.813","0.001","5.5418","0.0003","15.0593","0.0009","90","","90.93","0.002","90","","1236.07","0.13","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al4 B2 O9 -","- Al4 B2 O9 -","- Al32 B16 O72 -","8","1","","Zhao, Haishuang; Krysiak, Yaşar; Hoffmann, Kristin; Barton, Bastian; Molina-Luna, Leopoldo; Neder, Reinhard B.; Kleebe, Hans-Joachim; Gesing, Thorsten M.; Schneider, Hartmut; Fischer, Reinhard X.; Kolb, Ute","Elucidating structural order and disorder phenomena in mullite-type Al 4 B 2 O 9 by automated electron diffraction tomography","Journal of Solid State Chemistry","2017","249","","114","123","10.1016/j.jssc.2017.02.023","","","0.0197","","","0.2961","0.2873","","","0.569","0.5768","","","","","","4.486","","","","has coordinates","262133","2021-02-22","09:02:03",""
"1560540","5.0863","0.0003","13.6215","0.001","14.6061","0.001","62.638","0.002","83.865","0.002","84.883","0.002","892.67","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Co2 N2 O13 P2 -","- C12 H14 Co2 N2 O13 P2 -","- C24 H28 Co4 N4 O26 P4 -","2","1","","Wang, Chaonan; Feng, Pingjing; Li, Jintang; Luo, Xuetao","Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates","Journal of Solid State Chemistry","2017","249","","136","140","10.1016/j.jssc.2017.02.019","","","0.71073","MoKα","","0.055","0.041","","","0.1178","0.1255","","","","","","1.053","","","","has coordinates","262144","2021-02-23","07:43:49",""
"1560541","8.093","0.004","11.551","0.006","12.407","0.006","69.409","0.007","83.441","0.008","73.976","0.008","1043.4","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 O14 P2 Zn3 -","- C16 H16 O14 P2 Zn3 -","- C32 H32 O28 P4 Zn6 -","2","1","","Wang, Chaonan; Feng, Pingjing; Li, Jintang; Luo, Xuetao","Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates","Journal of Solid State Chemistry","2017","249","","136","140","10.1016/j.jssc.2017.02.019","","","0.71073","MoKα","","0.0497","0.0476","","","0.1271","0.129","","","","","","1.12","","","","has coordinates,has disorder","262144","2021-02-23","07:43:49",""
"1560542","15.267","0.005","14.955","0.005","16.819","0.005","90","","107.006","0.005","90","","3672","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Co N4 O8 -","- C36 H36 Co N4 O8 -","- C144 H144 Co4 N16 O32 -","4","0.5","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71069","MoKα","","0.0662","0.0516","","","0.1388","0.1473","","","","","","1.023","","","","has coordinates","262145","2021-02-23","07:50:02",""
"1560543","10.1585","0.0012","9.4462","0.0008","14.0641","0.0018","90","","100.612","0.01","90","","1326.5","0.3","296","","296","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C25 H23 Co N4 O4 -","- C25 H23 Co N4 O4 -","- C50 H46 Co2 N8 O8 -","2","0.5","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71073","MoKα","","0.1668","0.0961","","","0.2312","0.2745","","","","","","1.087","","","","has coordinates,has disorder","262146","2021-02-23","07:51:06",""
"1560544","9.8556","0.0002","13.2219","0.0003","17.8213","0.0005","108.644","0.002","92.555","0.002","100.285","0.002","2152.16","0.1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 N6 O8 Zn2 -","- C45 H45 N6 O8 Zn2 -","- C90 H90 N12 O16 Zn4 -","2","1","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71073","MoKα","","0.039","0.0307","","","0.0756","0.0787","","","","","","1.016","","","","has coordinates,has disorder","262147","2021-02-23","07:52:05",""
"1560545","8.4661","0.0005","10.0735","0.0007","12.043","0.0008","78.364","0.005","75.838","0.005","65.761","0.005","902.08","0.11","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Cd N2 O5 -","- C18 H19 Cd N2 O5 -","- C36 H38 Cd2 N4 O10 -","2","1","","Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan","Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties","Journal of Solid State Chemistry","2017","249","","141","148","10.1016/j.jssc.2017.02.028","","","0.71073","MoKα","","0.0208","0.0194","","","0.0471","0.0476","","","","","","1.073","","","","has coordinates,has disorder","262148","2021-02-23","07:53:14",""
"1560546","9.1655","0.0009","9.1655","0.0009","7.0266","0.0013","90","","90","","120","","511.2","0.12","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Ca3 Na3 P4 -","- Al Ca3 Na3 P4 -","- Al2 Ca6 Na6 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0575","0.043","","","0.0827","0.0882","","","","","","1.054","","","","has coordinates","262149","2021-02-23","08:04:31",""
"1560547","9.174","0.002","9.174","0.002","7.035","0.004","90","","90","","120","","512.8","0.3","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ca3 Ga Na3 P4 -","- Ca3 Ga Na3 P4 -","- Ca6 Ga2 Na6 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0738","0.0504","","","0.0838","0.0905","","","","","","1.079","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560548","9.358","0.0003","9.358","0.0003","7.1477","0.0005","90","","90","","120","","542.08","0.05","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ca3 In Na3 P4 -","- Ca3 In Na3 P4 -","- Ca6 In2 Na6 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0271","0.0261","","","0.079","0.0798","","","","","","1.188","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560549","9.3222","0.0004","9.3222","0.0004","7.288","0.0006","90","","90","","120","","548.5","0.06","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Eu2.88 Na3.12 P4 -","- Al Eu2.877 Na3.123 P4 -","- Al2 Eu5.754 Na6.246 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0094","0.0092","","","0.0209","0.0209","","","","","","1.08","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560550","9.4959","0.0012","9.4959","0.0012","7.3505","0.0018","90","","90","","120","","574.01","0.17","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Eu2.6 In Na3.4 P4 -","- Eu2.598 In Na3.402 P4 -","- Eu5.196 In2 Na6.804 P8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0688","0.0533","","","0.1295","0.135","","","","","","1.147","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560551","9.5114","0.0008","9.5114","0.0008","7.4365","0.0012","90","","90","","120","","582.62","0.12","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- In Na3.25 P4 Sr2.75 -","- In Na3.261 P4 Sr2.739 -","- In2 Na6.522 P8 Sr5.478 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0403","0.0366","","","0.0887","0.0897","","","","","","1.097","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560552","9.4069","0.0009","9.4069","0.0009","7.2039","0.0014","90","","90","","120","","552.07","0.13","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- As4 Ca2.85 Ga Na3.15 -","- As4 Ca2.865 Ga Na3.135 -","- As8 Ca5.73 Ga2 Na6.27 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0366","0.0306","","","0.0505","0.0522","","","","","","1.1","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560553","9.5621","0.0007","9.5621","0.0007","7.4418","0.0011","90","","90","","120","","589.27","0.11","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al As4 Eu2.9 Na3.1 -","- Al As4 Eu2.907 Na3.093 -","- Al2 As8 Eu5.814 Na6.186 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0396","0.0299","","","0.0488","0.0522","","","","","","1.06","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560554","9.5566","0.0012","9.5566","0.0012","7.4319","0.0019","90","","90","","120","","587.81","0.18","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- As4 Eu2.9 Ga Na3.1 -","- As4 Eu2.907 Ga Na3.093 -","- As8 Eu5.814 Ga2 Na6.186 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0424","0.0328","","","0.0693","0.0731","","","","","","1.072","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560555","9.7426","0.0012","9.7426","0.0012","7.605","0.002","90","","90","","120","","625.1","0.2","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- As4 In Na3.34 Sr2.66 -","- As4 In Na3.342 Sr2.658 -","- As8 In2 Na6.684 Sr5.316 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0569","0.0365","","","0.0753","0.0806","","","","","","1.064","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560556","10.0121","0.0005","10.0121","0.0005","7.6045","0.0008","90","","90","","120","","660.16","0.08","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Ca2.6 Na3.4 Sb4 -","- Al Ca2.49 Na3.51 Sb4 -","- Al2 Ca4.98 Na7.02 Sb8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0417","0.0303","","","0.0495","0.052","","","","","","0.908","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560557","10.1272","0.0005","10.1272","0.0005","7.8453","0.0008","90","","90","","120","","696.82","0.09","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Eu2.58 Na3.42 Sb4 -","- Al Eu2.583 Na3.417 Sb4 -","- Al2 Eu5.166 Na6.834 Sb8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0162","0.0157","","","0.0396","0.0399","","","","","","1.116","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560558","10.1138","0.0004","10.1138","0.0004","7.8049","0.0006","90","","90","","120","","691.4","0.07","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Eu2.42 Ga Na3.58 Sb4 -","- Eu2.421 Ga Na3.579 Sb4 -","- Eu4.842 Ga2 Na7.158 Sb8 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0267","0.0245","","","0.0501","0.0507","","","","","","1.115","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560559","10.1587","0.001","10.1587","0.001","7.9509","0.0015","90","","90","","120","","710.6","0.17","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Na3.18 Sb4 Sr2.83 -","- Al Na3.174 Sb4 Sr2.826 -","- Al2 Na6.348 Sb8 Sr5.652 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0146","0.0144","","","0.0331","0.0331","","","","","","1.099","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560560","10.261","0.0014","10.261","0.0014","7.995","0.002","90","","90","","120","","729","0.2","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- In Na3.45 Sb4 Sr2.55 -","- In Na3.447 Sb4 Sr2.553 -","- In2 Na6.894 Sb8 Sr5.106 -","2","0.166667","","Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen","Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)","Journal of Solid State Chemistry","2017","249","","160","168","10.1016/j.jssc.2017.02.026","","","0.71073","MoKα","","0.0615","0.041","","","0.0808","0.0879","","","","","","1.067","","","","has coordinates","262149","2021-02-23","08:04:32",""
"1560561","7.3778","0.0001","7.8542","0.0001","9.9136","0.0001","110.026","0.001","92.985","0.001","92.487","0.001","537.846","0.012","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Ag N2 O3 S -","- C9 H10 Ag N2 O3 S -","- C18 H20 Ag2 N4 O6 S2 -","2","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.017","0.0165","","","0.0431","0.0434","","","","","","1.12","","","","has coordinates","262150","2021-02-23","08:13:18",""
"1560562","43.912","0.001","10.8541","0.0003","21.5655","0.0006","90","","101.097","0.003","90","","10086.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Ag4 N8 O16 S4 -","- C38 H52 Ag4 N8 O16 S4 -","- C304 H416 Ag32 N64 O128 S32 -","8","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0611","0.0405","","","0.071","0.0813","","","","","","1.048","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560563","11.7439","0.0012","21.692","0.002","10.7179","0.0011","90","","103.882","0.011","90","","2650.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Ag2 N4 O8 S2 -","- C20 H28 Ag2 N4 O8 S2 -","- C80 H112 Ag8 N16 O32 S8 -","4","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.7107","MoKα","","0.3605","0.1132","","","0.2334","0.3703","","","","","","0.954","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560564","21.1821","0.0003","11.4983","0.0001","21.5878","0.0003","90","","90","","90","","5257.88","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H28 Ag2 N4 O7 S2 -","- C21 H28 Ag2 N4 O7 S2 -","- C168 H224 Ag16 N32 O56 S16 -","8","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0862","0.0641","","","0.1517","0.1661","","","","","","1.037","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560565","11.5569","0.0003","21.4349","0.0005","10.9614","0.0003","90","","104.681","0.001","90","","2626.72","0.12","106","2","106","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Ag2 N4 O7 S2 -","- C22 H30 Ag2 N4 O7 S2 -","- C88 H120 Ag8 N16 O28 S8 -","4","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0308","0.0231","","","0.0576","0.0725","","","","","","1.159","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560566","11.072","0.0011","12.651","0.0013","14.582","0.0013","108.547","0.005","98.038","0.005","110.916","0.005","1733.2","0.3","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Ag2 N6 O6 S2 -","- C30 H48 Ag2 N6 O6 S2 -","- C60 H96 Ag4 N12 O12 S4 -","2","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.1042","0.0786","","","0.2763","0.294","","","","","","1.114","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560567","8.5671","0.0001","12.5818","0.0002","13.4231","0.0002","79.353","0.001","72.936","0.001","81.702","0.001","1353.1","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H64 Ag4 N8 O14 S4 -","- C46 H64 Ag4 N8 O14 S4 -","- C46 H64 Ag4 N8 O14 S4 -","1","0.5","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0231","0.0197","","","0.0489","0.0504","","","","","","1.043","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560568","11.6875","0.0002","20.7157","0.0004","23.6214","0.0003","90","","90","","90","","5719.09","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cd3 N4 O16 -","- C50 H41 Cd3 N4 O16 -","- C200 H164 Cd12 N16 O64 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Lv, Guo-ling","Homochiral coordination polymers with helixes and metal clusters based on lactate derivatives","Journal of Solid State Chemistry","2017","249","","210","214","10.1016/j.jssc.2017.03.011","","","1.54178","CuKα","","0.0397","0.0377","","","0.0931","0.095","","","","","","0.971","","","","has coordinates,has Fobs","262152","2021-02-23","08:23:56",""
"1560569","11.6974","0.0015","20.58","0.003","23.668","0.003","90","","90","","90","","5697.7","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cd3 N4 O16 -","- C50 H41 Cd3 N4 O16 -","- C200 H164 Cd12 N16 O64 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Lv, Guo-ling","Homochiral coordination polymers with helixes and metal clusters based on lactate derivatives","Journal of Solid State Chemistry","2017","249","","210","214","10.1016/j.jssc.2017.03.011","","","0.71073","MoKα","","0.0421","0.0376","","","0.1067","0.1093","","","","","","0.904","","","","has coordinates,has Fobs","262153","2021-02-23","08:25:50",""
"1560570","17.62646","0.00004","6.970438","0.000016","12.11419","0.00003","90","","133.741","0.00008","90","","1075.33","0.005","433","","433","","","","","","","","","3","C 1 2 1","C 2y","5","hydrated rhabdophane","","","- O4.5 P Sm -","- O4.5 P Sm -","- O54 P12 Sm12 -","12","3","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas","In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy)","Journal of Solid State Chemistry","2017","249","","221","227","10.1016/j.jssc.2017.03.004","powder diffraction","","0.58403","synchrotron","","","","","","","","","6.2922","","","","","","","","has coordinates","262154","2021-02-23","08:32:17",""
"1560571","7.038998","0.000007","7.038998","0.000007","6.370215","0.000007","90","","90","","120","","273.342","0.0005","573","","573","","","","","","","","","3","P 31 2 1","P 31 2""","152","hydrated rhabdophane","","","- O4 P Sm -","- O4 P Sm -","- O12 P3 Sm3 -","3","0.5","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas","In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy)","Journal of Solid State Chemistry","2017","249","","221","227","10.1016/j.jssc.2017.03.004","powder diffraction","","0.58403","synchrotron","","","","","","","","","6.4726","","","","","","","","has coordinates","262154","2021-02-23","08:32:18",""
"1560572","10.035","0.004","4.967","0.002","6.716","0.002","90","","90","","90","","334.8","0.2","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","lithium cobalt phosphate","","","- Co1.03 Li0.95 O4 P -","- Co1.027 Li0.952 O4 P -","- Co4.108 Li3.808 O16 P4 -","4","1","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0213","0.0213","","0.025","0.025","","","","1.27","","","","","","","has coordinates","262156","2021-02-23","09:51:10",""
"1560573","10.0256","0.0006","4.9631","0.0003","6.7157","0.0004","90","","90","","90","","334.16","0.03","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","lithium cobalt phosphate","","","- Co0.99 Li1.01 O4 P -","- Co0.987 Li1.013 O4 P -","- Co3.948 Li4.052 O16 P4 -","4","1","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0263","0.0261","","0.0303","0.0303","","","","1.62","","","","","","","has coordinates","262156","2021-02-23","09:51:13",""
"1560574","10.211","0.0002","5.92075","0.00012","4.70581","0.00011","90","","90","","90","","284.498","0.01","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0272","0.0267","","0.0284","0.0283","","","","1.48","","","","","","","has coordinates","262156","2021-02-23","09:51:15",""
"1560575","10.2114","0.0003","5.92985","0.00016","4.70439","0.00013","90","","90","","90","","284.861","0.014","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0257","0.0257","","0.0298","0.0298","","","","1.96","","","","","","","has coordinates","262156","2021-02-23","09:51:26",""
"1560576","10.2155","0.0006","5.9163","0.0003","4.7025","0.0002","90","","90","","90","","284.21","0.03","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0229","0.0229","","0.0299","0.0299","","","","1.81","","","","","","","has coordinates","262156","2021-02-23","09:51:36",""
"1560577","5.7407","0.0003","5.7407","0.0003","43.503","0.003","90","","90","","120","","1241.59","0.13","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Cl F6 Na3 Sn2 -","- Cl F6 Na3 Sn2 -","- Cl6 F36 Na18 Sn12 -","6","0.166667","","Gong, Pifu; Luo, Siyang; Huang, Qian; Yang, Yi; Jiang, Xingxing; Liang, Fei; Chen, Chuangtian; Lin, Zheshuai","An alkaline tin(II) halide compound Na 3 Sn 2 F 6 Cl: Synthesis, structure, and characterization","Journal of Solid State Chemistry","2017","248","","104","108","10.1016/j.jssc.2017.01.023","","","0.71073","MoKα","","0.0468","0.0454","","","0.1137","0.1153","","","","","","1.268","","","","has coordinates","262157","2021-02-23","09:59:27",""
"1560578","17.5859","0.0016","11.447","0.0011","21.6831","0.0019","90","","114.472","0.003","90","","3972.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu2 N8 O8 -","- C40 H32 Cu2 N8 O8 -","- C160 H128 Cu8 N32 O32 -","4","1","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.233","0.1169","","","0.2084","0.2412","","","","","","1.059","","","","has coordinates,has disorder","262158","2021-02-23","10:07:38",""
"1560579","17.8311","0.0015","11.7676","0.0009","20.1472","0.0018","90","","111.685","0.002","90","","3928.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co2 N9 O10 -","- C39 H33 Co2 N9 O10 -","- C156 H132 Co8 N36 O40 -","4","1","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.1244","0.0914","","","0.2577","0.2757","","","","","","1.157","","","","has coordinates","262158","2021-02-23","10:07:39",""
"1560580","17.7959","0.0018","11.727","0.0012","19.9861","0.0019","90","","110.972","0.003","90","","3894.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N9 Ni2 O10 -","- C39 H33 N9 Ni2 O10 -","- C156 H132 N36 Ni8 O40 -","4","1","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.2123","0.1368","","","0.3084","0.3326","","","","","","1.385","","","","has coordinates,has disorder","262158","2021-02-23","10:07:39",""
"1560581","13.2162","0.0014","15.3955","0.0015","11.3899","0.0011","90","","90","","90","","2317.5","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 Co N4 O4 -","- C28 H20 Co N4 O4 -","- C112 H80 Co4 N16 O16 -","4","0.5","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.1298","0.0814","","","0.1918","0.2282","","","","","","1.061","","","","has coordinates,has disorder","262158","2021-02-23","10:07:39",""
"1560582","13.205","0.006","15.562","0.007","11.364","0.005","90","","90","","90","","2335.3","1.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 N4 O4 Zn -","- C28 H20 N4 O4 Zn -","- C112 H80 N16 O16 Zn4 -","4","0.5","","Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua","Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide","Journal of Solid State Chemistry","2017","248","","109","118","10.1016/j.jssc.2017.01.027","","","0.71073","MoKα","","0.0721","0.0385","","","0.0647","0.07","","","","","","1.033","","","","has coordinates,has disorder","262158","2021-02-23","10:07:41",""
"1560583","14.7432","0.0002","14.7432","0.0002","14.7432","0.0002","90","","90","","90","","3204.61","0.08","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.5 S1.33 Sn0.36 -","- Ag0.22 Ba0.5 S1.33333 Sn0.360833 -","- Ag10.56 Ba24 S64 Sn17.32 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.023","0.0228","","","0.0578","0.058","","","","","","1.148","","","","has coordinates","262159","2021-02-23","10:12:33",""
"1560584","14.6346","0.0004","14.6346","0.0004","14.6346","0.0004","90","","90","","90","","3134.31","0.15","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.34 S1.33 Sn0.36 Sr0.16 -","- Ag0.225 Ba0.3355 S1.33333 Sn0.360833 Sr0.1645 -","- Ag10.8 Ba16.104 S64 Sn17.32 Sr7.896 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.0237","0.0236","","","0.0675","0.0676","","","","","","1.154","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560585","14.5646","0.0004","14.5646","0.0004","14.5646","0.0004","90","","90","","90","","3089.55","0.15","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.26 S1.33 Sn0.36 Sr0.23 -","- Ag0.2225 Ba0.26 S1.33333 Sn0.360833 Sr0.235 -","- Ag10.68 Ba12.48 S64 Sn17.32 Sr11.28 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.0307","0.0305","","","0.0798","0.0801","","","","","","1.171","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560586","14.5142","0.0004","14.5142","0.0004","14.5142","0.0004","90","","90","","90","","3057.59","0.15","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 Ba0.18 S1.33 Sn0.36 Sr0.32 -","- Ag0.2225 Ba0.183 S1.33333 Sn0.360833 Sr0.3165 -","- Ag10.68 Ba8.784 S64 Sn17.32 Sr15.192 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.0282","0.0281","","","0.0738","0.0739","","","","","","1.159","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560587","14.3637","0.0004","14.3637","0.0004","14.3637","0.0004","90","","90","","90","","2963.46","0.14","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.22 S1.33 Sn0.36 Sr0.5 -","- Ag0.2225 S1.33333 Sn0.360833 Sr0.5 -","- Ag10.68 S64 Sn17.32 Sr24 -","48","1","","Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4","Journal of Solid State Chemistry","2017","248","","119","125","10.1016/j.jssc.2017.01.025","","","0.71073","MoKα","","0.039","0.0386","","","0.1034","0.1036","","","","","","1.199","","","","has coordinates","262159","2021-02-23","10:12:34",""
"1560588","9.6926","0.0007","9.6926","0.0007","8.1354","0.0008","90","","90","","90","","764.29","0.11","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S1.83 Se1.17 U2 -","- Cs2 O16 S1.829 Se1.171 U2 -","- Cs4 O32 S3.658 Se2.342 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0134","0.0124","","","0.0231","0.0232","","","","","","1.064","","","","has coordinates","262160","2021-02-23","10:26:12",""
"1560589","9.7075","0.0019","9.7075","0.0019","8.1407","0.0016","90","","90","","90","","767.1","0.3","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S1.51 Se1.49 U2 -","- Cs2 O16 S1.517 Se1.483 U2 -","- Cs4 O32 S3.034 Se2.966 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0264","0.0216","","","0.03","0.0306","","","","","","0.833","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560590","9.7828","0.0014","9.7828","0.0014","8.1537","0.0016","90","","90","","90","","780.3","0.2","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S0.96 Se2.05 U2 -","- Cs2 O16 S0.958 Se2.042 U2 -","- Cs4 O32 S1.916 Se4.084 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0252","0.0222","","","0.0443","0.0448","","","","","","1.038","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560591","9.8082","0.0017","9.8082","0.0017","8.1477","0.0019","90","","90","","90","","783.8","0.3","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S0.49 Se2.52 U2 -","- Cs2 O16 S0.489 Se2.511 U2 -","- Cs4 O32 S0.978 Se5.022 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0235","0.0202","","","0.042","0.0426","","","","","","1.016","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560592","9.856","0.0016","9.856","0.0016","8.1587","0.0014","90","","90","","90","","792.5","0.2","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 Se3 U2 -","- Cs2 O16 Se3 U2 -","- Cs4 O32 Se6 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0223","0.0201","","","0.0431","0.0434","","","","","","1.024","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560593","9.6165","0.0008","9.6165","0.0008","8.1055","0.0009","90","","90","","90","","749.57","0.12","150","2","150","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S3 U2 -","- Cs2 O16 S3 U2 -","- Cs4 O32 S6 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0139","0.0135","","","0.0251","0.0252","","","","","","1.014","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560594","9.6268","0.0012","9.6268","0.0012","8.1119","0.001","90","","90","","90","","751.77","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.7 Se0.31 U2 -","- Cs2 O16 S2.696 Se0.304 U2 -","- Cs4 O32 S5.392 Se0.608 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0159","0.0147","","","0.0229","0.023","","","","","","0.99","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560595","9.6518","0.0012","9.6518","0.0012","8.1163","0.001","90","","90","","90","","756.09","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.43 Se0.57 U2 -","- Cs2 O16 S2.432 Se0.568 U2 -","- Cs4 O32 S4.864 Se1.136 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0175","0.0163","","","0.0319","0.0322","","","","","","1.038","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560596","9.6835","0.001","9.6835","0.001","8.1328","0.0012","90","","90","","90","","762.61","0.16","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cs2 O16 S2.14 Se0.86 U2 -","- Cs2 O16 S2.138 Se0.862 U2 -","- Cs4 O32 S4.276 Se1.724 U4 -","2","0.25","","Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Selective Se-for-S substitution in Cs-bearing uranyl compounds","Journal of Solid State Chemistry","2017","248","","126","133","10.1016/j.jssc.2017.02.005","","","0.71073","MoKα","","0.0191","0.0174","","","0.0331","0.0334","","","","","","1.08","","","","has coordinates","262160","2021-02-23","10:26:13",""
"1560597","9.9637","0.0003","9.9637","0.0003","40.898","0.003","90","","90","","90","","4060.2","0.3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 K2 O16 U2 -","- C12 H12 K2 O16 U2 -","- C96 H96 K16 O128 U16 -","8","0.5","","Novikov, S.A.; Grigoriev, M.S.; Serezhkina, L.B.; Serezhkin, V.N.","Potassium and magnesium succinatouranilates ‒ Synthesis and crystal structure","Journal of Solid State Chemistry","2017","248","","178","182","10.1016/j.jssc.2017.02.010","","","0.71073","MoKα","","0.0377","0.0239","","","0.0415","0.0442","","","","","","1.042","","","","has coordinates","262161","2021-02-23","10:37:05",""
"1560598","10.7867","0.0012","11.0627","0.0011","11.918","0.0012","85.062","0.006","72.924","0.006","85.378","0.006","1352.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 Mg O24 U2 -","- C12 H28 Mg O24 U2 -","- C24 H56 Mg2 O48 U4 -","2","1","","Novikov, S.A.; Grigoriev, M.S.; Serezhkina, L.B.; Serezhkin, V.N.","Potassium and magnesium succinatouranilates ‒ Synthesis and crystal structure","Journal of Solid State Chemistry","2017","248","","178","182","10.1016/j.jssc.2017.02.010","","","0.71073","MoKα","","0.0781","0.0472","","","0.0978","0.1091","","","","","","1.026","","","","has coordinates","262162","2021-02-23","10:38:26",""
"1560606","14.4277","0.0005","24.0577","0.0005","33.9348","0.0009","90","","90","","90","","11778.7","0.6","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C40 H60 N8 Ni4 O42 -","- C40 H60 N8 Ni4 O42 -","- C320 H480 N64 Ni32 O336 -","8","0.25","","Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan","Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds","Journal of Solid State Chemistry","2017","247","","1","7","10.1016/j.jssc.2016.12.006","","","0.71073","MoKα","","0.0462","0.0387","","","0.1072","0.1156","","","","","","1.008","","","","has coordinates","262187","2021-02-24","09:58:23",""
"1560607","14.3454","0.0006","24.1072","0.001","34.1451","0.0014","90","","90","","90","","11808.3","0.8","153","2","153","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C40 H56 Co4 N8 O42 -","- C40 H56 Co4 N8 O42 -","- C320 H448 Co32 N64 O336 -","8","0.25","","Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan","Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds","Journal of Solid State Chemistry","2017","247","","1","7","10.1016/j.jssc.2016.12.006","","","0.71073","MoKα","","0.0542","0.0465","","","0.1275","0.1378","","","","","","1.04","","","","has coordinates","262188","2021-02-24","10:00:12",""
"1560608","14.3641","0.0011","14.1462","0.0011","7.4643","0.0006","90","","90","","90","","1516.7","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H11 Cl Cu2 O10 -","- C9 H11 Cl Cu2 O10 -","- C36 H44 Cl4 Cu8 O40 -","4","0.25","","Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan","Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds","Journal of Solid State Chemistry","2017","247","","1","7","10.1016/j.jssc.2016.12.006","","","0.71073","MoKα","","0.0324","0.0299","","","0.0797","0.0814","","","","","","1.039","","","","has coordinates","262189","2021-02-24","10:01:26",""
"1560609","18.3101","0.0018","33.5","0.002","16.723","0.0015","90","","90","","90","","10257.7","1.5","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C36 H17 O24 Zn4 -","- C36 H17 O24 Zn4 -","- C144 H68 O96 Zn16 -","4","1","","Wang, Kun; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quan-Guo","A pillar-layered metal-organic framework as luminescent sensor for selective and reversible response of chloroform","Journal of Solid State Chemistry","2017","247","","39","42","10.1016/j.jssc.2016.12.023","","","0.71073","MoKα","","0.1548","0.0926","","","0.2425","0.2548","","","","","","1.064","","","","has coordinates","262190","2021-02-24","10:08:11",""
"1560610","5.7894","0.0013","5.7959","0.0015","8.1742","0.0014","90","","90","","90","","274.28","0.11","300","2","300","2","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- Ba0.17 In0.17 Ir0.17 La0.17 O -","- Ba0.166667 In0.166667 Ir0.166667 La0.166667 O -","- Ba2 In2 Ir2 La2 O12 -","12","1.5","","Flynn, Joshua; Li, Jun; Ramirez, Arthur P.; Subramanian, M.A.","The effect of iridium oxidation state on the electronic properties of perovskite-type solid solutions: Ba2‒La InIrO6 and BaLaIn1‒Ca IrO6","Journal of Solid State Chemistry","2017","247","","53","59","10.1016/j.jssc.2016.12.017","","","0.5","neutron","","0.0397","0.0397","","","0.0467","0.0467","","","","","","1.157","","","","has coordinates","262191","2021-02-24","10:12:11",""
"1560611","10.235","0.002","11.354","0.002","12.597","0.003","88.53","0.03","74.14","0.03","67.91","0.03","1299.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O18 Pb3 -","- C22 H14 O18 Pb3 -","- C44 H28 O36 Pb6 -","2","1","","Chen, Yong-Qiang; Tian, Yuan","Lead(II) coordination polymers based on rigid-flexible 3,5-bis-oxyacetate-benzoic acid: Structural transition driven by temperature control","Journal of Solid State Chemistry","2017","247","","60","66","10.1016/j.jssc.2016.12.024","","","0.71073","MoKα","","0.0806","0.056","","","0.1393","0.155","","","","","","0.926","","","","has coordinates","262192","2021-02-24","10:16:17",""
"1560612","8.9756","0.0018","11.556","0.002","15.721","0.003","100.02","0.03","102.77","0.03","97.23","0.03","1542.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O20 Pb4 -","- C22 H14 O19 Pb4 -","- C44 H28 O38 Pb8 -","2","1","","Chen, Yong-Qiang; Tian, Yuan","Lead(II) coordination polymers based on rigid-flexible 3,5-bis-oxyacetate-benzoic acid: Structural transition driven by temperature control","Journal of Solid State Chemistry","2017","247","","60","66","10.1016/j.jssc.2016.12.024","","","0.71073","MoKα","","0.0956","0.0567","","","0.1019","0.1121","","","","","","0.864","","","","has coordinates","262192","2021-02-24","10:16:18",""
"1560613","9.1255","0.0018","11.542","0.002","23.556","0.005","90","","97.81","0.03","90","","2458.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O17 Pb3 -","- C22 H14 O17 Pb3 -","- C88 H56 O68 Pb12 -","4","1","","Chen, Yong-Qiang; Tian, Yuan","Lead(II) coordination polymers based on rigid-flexible 3,5-bis-oxyacetate-benzoic acid: Structural transition driven by temperature control","Journal of Solid State Chemistry","2017","247","","60","66","10.1016/j.jssc.2016.12.024","","","0.71073","MoKα","","0.0746","0.0487","","","0.0668","0.0724","","","","","","0.993","","","","has coordinates","262192","2021-02-24","10:16:18",""
"1560614","8.35013","0.00003","8.35013","0.00003","8.35013","0.00003","90","","90","","90","","582.21","0.004","298","","298","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Fe0.801 Li2.403 O8 Ti2.799 -","- Fe0.801 Li2.403 O8 Ti2.799 -","- Fe3.204 Li9.612 O32 Ti11.196 -","4","0.166667","","Mukai, Kazuhiko; Kato, Yuichi; Nakano, Hideyuki","Determination of cation distribution in the Fe[Li 1/2 Fe 3/2 ]O 4 −LiFeTiO 4 −Li[Li 1/3 Ti 5/3 ]O 4 system: Mixed nature of solid solution and superlattice","Journal of Solid State Chemistry","2017","247","","67","76","10.1016/j.jssc.2016.12.025","powder diffraction","","0.60001","synchrotron","","0.06246","","","","","","0.06646","0.0499","1.2049","","","","","","","has coordinates","262193","2021-02-24","10:21:04",""
"1560615","7.6176","0.0009","12.1811","0.0016","19.258","0.002","90","","90","","90","","1787","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H18 N2 O13 Se2 U -","- C4 H18 N2 O13 Se2 U -","- C16 H72 N8 O52 Se8 U4 -","4","0.5","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.0557","0.042","","","0.0708","0.0742","","","","","","1.168","","","","has coordinates,has disorder","262194","2021-02-24","10:30:55",""
"1560616","12.7463","0.0011","12.4261","0.0007","14.9928","0.0011","90","","113.433","0.006","90","","2178.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H25 N3 O14 Se3 U -","- C6 H25 N3 O14 Se3 U -","- C24 H100 N12 O56 Se12 U4 -","4","1","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.0615","0.0462","","","0.0675","0.0704","","","","","","1.289","","","","has coordinates","262194","2021-02-24","10:30:57",""
"1560617","8.475","0.003","12.264","0.002","10.404","0.003","90","","95.23","0.03","90","","1076.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 N O9 Se2 U -","- C2 H9 N O9 Se2 U -","- C8 H36 N4 O36 Se8 U4 -","4","1","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.0836","0.0534","","","0.0757","0.0825","","","","","","1.114","","","","has coordinates,has disorder","262194","2021-02-24","10:30:57",""
"1560618","7.5635","0.0015","7.6188","0.0015","12.101","0.002","79.559","0.015","89.272","0.016","82.356","0.016","679.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H13 N O12 Se2 U -","- C2 H13 N O12 Se2 U -","- C4 H26 N2 O24 Se4 U2 -","2","1","","Gurzhiy, Vladislav V.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates","Journal of Solid State Chemistry","2017","247","","105","112","10.1016/j.jssc.2017.01.005","","","0.71073","MoKα","","0.033","0.0253","","","0.05","0.0518","","","","","","1.066","","","","has coordinates","262194","2021-02-24","10:30:57",""
"1560619","19.6713","0.0016","23.7434","0.0019","9.9624","0.0007","90","","106.842","0.007","90","","4453.5","0.6","100","2","100.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H24 Mn3 N4 O13 -","- C48 H24 Mn3 N4 O13 -","- C96 H48 Mn6 N8 O26 -","2","0.25","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María Isabel","Cationic Mn 2+ /H + exchange leading a slow solid-state transformation of a 2D porphyrinic network at ambient conditions","Journal of Solid State Chemistry","2017","247","","161","167","10.1016/j.jssc.2017.01.012","","","1.54184","CuKα","","0.1008","0.0798","","","0.2458","0.2677","","","","","","1.0002","","","","has coordinates,has disorder","262195","2021-02-24","10:39:50",""
"1560620","22.3102","0.0004","22.3102","0.0004","12.0095","0.0003","90","","90","","90","","5977.7","0.2","100","2","100.15","","","","","","","","","5","P 4/n b m :2","-P 4a 2b","125","","","","- C50 H26 Mn N4 O12 -","- C50 H26 Mn N4 O12 -","- C200 H104 Mn4 N16 O48 -","4","0.25","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María Isabel","Cationic Mn 2+ /H + exchange leading a slow solid-state transformation of a 2D porphyrinic network at ambient conditions","Journal of Solid State Chemistry","2017","247","","161","167","10.1016/j.jssc.2017.01.012","","x-ray","1.54184","CuKα","","0.1129","0.0864","","","0.2748","0.3017","","","","","","1.099","","","","has coordinates,has disorder","262195","2021-02-24","10:39:51",""
"1560623","9.1197","0.0005","13.2536","0.0006","13.2132","0.0006","90","","99.554","0.005","90","","1574.91","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 Ni O6 -","- C14 H16 N2 Ni O6 -","- C56 H64 N8 Ni4 O24 -","4","1","","Wu, Jing-Yun; Tsai, Chi-Jou; Chang, Ching-Yun; Wu, Yung-Yuan","Metal-ion exchange induced structural transformation as a way of forming novel Ni(II)− and Cu(II)−salicylaldimine structures","Journal of Solid State Chemistry","2017","246","","23","28","10.1016/j.jssc.2016.10.026","","","0.71073","MoKα","","0.0809","0.0466","","","0.0962","0.1117","","","","","","1.018","","","","has coordinates","262214","2021-02-25","08:46:52",""
"1560624","9.8875","0.0007","14.7625","0.0008","11.9745","0.0009","90","","121.675","0.007","90","","1487.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cu N2 O6 -","- C14 H16 Cu N2 O6 -","- C56 H64 Cu4 N8 O24 -","4","1","","Wu, Jing-Yun; Tsai, Chi-Jou; Chang, Ching-Yun; Wu, Yung-Yuan","Metal-ion exchange induced structural transformation as a way of forming novel Ni(II)− and Cu(II)−salicylaldimine structures","Journal of Solid State Chemistry","2017","246","","23","28","10.1016/j.jssc.2016.10.026","","","0.71073","MoKα","","0.0577","0.0443","","","0.1095","0.118","","","","","","1.084","","","","has coordinates","262214","2021-02-25","08:46:55",""
"1560625","6.14624","0.00008","6.14624","","11.38463","0.00026","90","","90","","120","","372.451","0.01","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560626","6.18081","0.00005","6.18081","","11.37786","0.00017","90","","90","","120","","376.428","0.006","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560627","6.21121","0.00004","6.21121","","11.37066","0.00014","90","","90","","120","","379.9","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560628","6.222219","0.000035","6.222219","","11.36779","0.00012","90","","90","","120","","381.151","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560629","6.24323","0.00005","6.24323","","11.36346","0.00013","90","","90","","120","","383.583","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560630","6.26324","0.00005","6.26324","","11.35052","0.00014","90","","90","","120","","385.607","0.006","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:42",""
"1560631","8.6209","0.0017","9.1518","0.0018","21.858","0.004","93.1","0.03","94.7","0.03","101.28","0.03","1681.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Bi N5 O13 -","- C33 H22 Bi N5 O13 -","- C66 H44 Bi2 N10 O26 -","2","1","","Huang, Ya-Jing; Zheng, Yue-Qing; Wang, Jin-Jian; Zhou, Lin-Xia","A new bismuth-based coordination polymer as an efficient visible light responding photocatalyst under white LED irradiation","Journal of Solid State Chemistry","2017","246","","42","47","10.1016/j.jssc.2016.10.028","","","0.71073","MoKα","","0.0809","0.0733","","","0.1668","0.1717","","","","","","1.097","","","","has coordinates,has disorder","262216","2021-02-25","09:02:54",""
"1560632","9.49312","0.00014","12.55069","0.00016","13.415","0.0002","90","","95.5687","0.0014","90","","1590.79","0.04","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H38 Cu N10 O5 -","- C30 H38 Cu N10 O5 -","- C60 H76 Cu2 N20 O10 -","2","0.5","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.54184","CuKα","","0.0354","0.032","","","0.0865","0.0892","","","","","","1.036","","","","has coordinates","262217","2021-02-25","09:09:43",""
"1560633","10.3809","0.0004","11.8849","0.0005","14.2792","0.0004","107.443","0.004","94.911","0.003","100.765","0.003","1632.17","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 Cu N12 O10 -","- C26 H38 Cu N12 O10 -","- C52 H76 Cu2 N24 O20 -","2","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.5418","CuKα","","0.0837","0.0736","","","0.1932","0.2077","","","","","","1.083","","","","has coordinates,has disorder","262218","2021-02-25","09:11:49",""
"1560634","9.00254","0.00016","15.3645","0.0003","12.4641","0.0002","90","","105.724","0.002","90","","1659.51","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cu N11 -","- C13 H16 Cu N11 -","- C52 H64 Cu4 N44 -","4","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.5418","CuKα","","0.0356","0.0336","","","0.0936","0.0956","","","","","","1.043","","","","has coordinates,has disorder","262219","2021-02-25","09:13:05",""
"1560635","10.1961","0.0005","8.5905","0.0007","17.9763","0.0006","90","","92.663","0.004","90","","1572.84","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Ag N6 O3 -","- C13 H15 Ag N6 O3 -","- C52 H60 Ag4 N24 O12 -","4","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.5418","CuKα","","0.044","0.0398","","","0.109","0.1162","","","","","","0.944","","","","has coordinates","262220","2021-02-25","09:14:18",""
"1560636","28.5345","0.0014","9.4368","0.0004","18.1503","0.0007","90","","121.531","0.003","90","","4165.8","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H37 Cu3 N15 O S4 -","- C33 H37 Cu3 N15 O S4 -","- C132 H148 Cu12 N60 O4 S16 -","4","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.54184","CuKα","","0.0465","0.0381","","","0.0831","0.0887","","","","","","1.034","","","","has coordinates","262221","2021-02-25","09:15:28",""
"1560637","9.6299","0.0004","8.585","0.0003","5.3077","0.0002","90","","109.716","0.001","90","","413.08","0.03","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","0.5","","Ishii, Yuto; Matsushita, Yoshitaka; Oda, Migaku; Yoshida, Hiroyuki","Structural study of quasi-one-dimensional vanadium pyroxene LiVSi2O6 single crystals","Journal of Solid State Chemistry","2017","246","","125","129","10.1016/j.jssc.2016.11.012","","","0.71073","MoKα","","0.0337","0.033","","","0.0799","0.0805","","","","","","1.289","","","","has coordinates","262222","2021-02-25","09:24:58",""
"1560638","9.2814","0.0002","8.5893","0.0002","5.2747","0.0001","90","","103.099","0.001","90","","409.561","0.015","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","1","","Ishii, Yuto; Matsushita, Yoshitaka; Oda, Migaku; Yoshida, Hiroyuki","Structural study of quasi-one-dimensional vanadium pyroxene LiVSi2O6 single crystals","Journal of Solid State Chemistry","2017","246","","125","129","10.1016/j.jssc.2016.11.012","","","0.71073","MoKα","","0.0354","0.0338","","","0.0866","0.0885","","","","","","1.196","","","","has coordinates","262222","2021-02-25","09:24:58",""
"1560639","9.191","0.004","11.581","0.005","15.798","0.006","90.241","0.005","100.443","0.005","109.126","0.004","1558.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Eu O9 S4 -","- C30 H23 Eu O9 S4 -","- C60 H46 Eu2 O18 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0629","0.0395","","","0.0709","0.0772","","","","","","0.958","","","","has coordinates","262223","2021-02-25","09:40:26",""
"1560640","9.086","0.004","11.517","0.004","15.755","0.007","91.025","0.015","99.644","0.019","109.028","0.017","1531.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Dy O9 S4 -","- C30 H23 Dy O9 S4 -","- C60 H46 Dy2 O18 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0209","0.019","","","0.045","0.0524","","","","","","1.158","","","","has coordinates","262223","2021-02-25","09:40:26",""
"1560641","9.528","0.004","10.518","0.005","16.03","0.009","82.874","0.019","81.967","0.018","78.512","0.015","1551.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Eu N O8 S4 -","- C33 H21 Eu N O8 S4 -","- C66 H42 Eu2 N2 O16 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0659","0.0507","","","0.1051","0.1121","","","","","","1.041","","","","has coordinates","262223","2021-02-25","09:40:26",""
"1560642","9.4783","0.0017","10.4894","0.0019","16.024","0.003","82.88","0.006","81.839","0.007","78.812","0.007","1539.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Dy N O8 S4 -","- C33 H21 Dy N O8 S4 -","- C66 H42 Dy2 N2 O16 S8 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0426","0.0398","","","0.0861","0.0879","","","","","","1.082","","","","has coordinates","262223","2021-02-25","09:40:27",""
"1560643","9.471","0.01","10.484","0.016","15.988","0.003","82.752","0.007","81.828","0.005","78.795","0.004","1533","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 N O8 S4 Tb -","- C33 H19 N O8 S4 Tb -","- C66 H38 N2 O16 S8 Tb2 -","2","1","","Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2′-dithiodibenzoic acid","Journal of Solid State Chemistry","2017","246","","138","144","10.1016/j.jssc.2016.11.002","","","0.71073","MoKα","","0.0641","0.0457","","","0.0862","0.0927","","","","","","1.047","","","","has coordinates","262223","2021-02-25","09:40:27",""
"1560644","3.2387","0.0007","3.2387","0.0007","41.779","0.011","90","","90","","120","","379.52","0.15","123","2","123","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ga O6 Sn0.5 Zn3.5 -","- Ga O6 Sn0.5 Zn3.5 -","- Ga3 O18 Sn1.5 Zn10.5 -","3","0.0833333","","Eichhorn, Simon; Schmid, Herbert; Assenmacher, Wilfried; Mader, Werner","Homologous compounds of type ARO3(ZnO) in the system Ga-Sn-Zn-O","Journal of Solid State Chemistry","2017","246","","214","220","10.1016/j.jssc.2016.11.031","","x-ray","0.71073","MoKα","","0.064","0.047","","","0.0676","0.0735","","","","","","0.913","","","","has coordinates","262224","2021-02-25","09:48:40",""
"1560645","10.1158","0.0004","23.1654","0.001","30.3969","0.0011","90","","109.12","0.001","90","","6730.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Mn4 N6 O28 -","- C66 H64 Mn4 N6 O28 -","- C264 H256 Mn16 N24 O112 -","4","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Binuclear and tetranuclear Mn(II) clusters in coordination polymers derived from semirigid tetracarboxylate and N‑donor ligands: syntheses, new topology structures and magnetism","Journal of Solid State Chemistry","2017","246","","252","257","10.1016/j.jssc.2016.11.030","","","0.71073","MoKα","","0.0655","0.0458","","","0.1047","0.1146","","","","","","1.022","","","","has coordinates","262226","2021-02-25","09:56:10",""
"1560646","15.8885","0.0008","12.5407","0.0008","22.9053","0.0014","90","","104.559","0.002","90","","4417.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Mn2 N2 O11 -","- C22 H15 Mn2 N2 O11 -","- C176 H120 Mn16 N16 O88 -","8","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Binuclear and tetranuclear Mn(II) clusters in coordination polymers derived from semirigid tetracarboxylate and N‑donor ligands: syntheses, new topology structures and magnetism","Journal of Solid State Chemistry","2017","246","","252","257","10.1016/j.jssc.2016.11.030","","","0.71073","MoKα","","0.0332","0.0292","","","0.0844","0.0872","","","","","","1.044","","","","has coordinates","262226","2021-02-25","09:56:10",""
"1560647","15.7092","0.0012","28.162","0.002","16.6588","0.0012","90","","108.523","0.001","90","","6988.1","0.9","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C120 H120 Ag6 N20 O40 V W12 -","- C120 H120 Ag6 N20 O40 V W12 -","- C240 H240 Ag12 N40 O80 V2 W24 -","2","1","","Zheng, Ran; Zhang, Huixia; Liu, Yunping; Wang, Xiaoxiao; Han, Zhangang","Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue","Journal of Solid State Chemistry","2017","246","","258","263","10.1016/j.jssc.2016.11.037","","","0.71073","MoKα","","0.0717","0.0529","","","0.1215","0.1336","","","","","","1.06","","","","has coordinates","262227","2021-02-25","10:01:54",""
"1560648","12.3421","0.0004","14.101","0.0005","20.3379","0.0007","97.144","0.001","103.814","0.001","98.742","0.001","3349.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H60 Ag3 N10 O20 V W5 -","- C60 H60 Ag3 N10 O20 V W5 -","- C120 H120 Ag6 N20 O40 V2 W10 -","2","1","","Zheng, Ran; Zhang, Huixia; Liu, Yunping; Wang, Xiaoxiao; Han, Zhangang","Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue","Journal of Solid State Chemistry","2017","246","","258","263","10.1016/j.jssc.2016.11.037","","","0.71073","MoKα","","0.0367","0.0283","","","0.0736","0.0781","","","","","","0.998","","","","has coordinates,has disorder","262227","2021-02-25","10:01:54",""
"1560649","16.635","0.005","26.793","0.005","8.07","0.005","90","0.005","101.329","0.005","90","0.005","3527","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Gd N6 O7 -","- C21 H27 Gd N6 O7 -","- C84 H108 Gd4 N24 O28 -","4","1","","Tang, Qun; Li, Peng-Fei; Zou, Zhi-Ming; Liu, Zheng; Liu, Shu-Xia","A novel cryogenic magnetic refrigerant metal-organic framework based on 1D gadolinium(III) chain","Journal of Solid State Chemistry","2017","246","","329","333","10.1016/j.jssc.2016.12.007","","","0.71069","MoKα","","0.0534","0.0376","","","0.0776","0.08","","","","","","1.044","","","","has coordinates","262228","2021-02-25","10:07:21",""
"1560650","7.504","0.0014","14.746","0.003","18.04","0.003","85.259","0.005","89.586","0.005","77.667","0.004","1943.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 Mg2 N4 O19 -","- C40 H20 Mg2 N4 O19 -","- C80 H40 Mg4 N8 O38 -","2","1","","Kong, Aiguo; Fan, Xiaohong; Chen, Aoling; Zhang, Hengiang; Shan, Yongkui","Mesoporous nitrogen-doped carbon microfibers derived from Mg-biquinoline-dicarboxy compound for efficient oxygen electroreduction","Journal of Solid State Chemistry","2017","246","","399","403","10.1016/j.jssc.2016.12.015","","","0.71073","MoKα","","0.1593","0.0918","","","0.2389","0.2761","","","","","","0.991","","","","has coordinates,has disorder","262229","2021-02-25","10:15:55",""
"1560651","12.141","0.0006","6.7307","0.0002","14.5517","0.0005","90","","90.174","0.004","90","","1189.12","0.08","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Na2 O12 Se4 Zn3 -","- Na2 O12 Se4 Zn3 -","- Na8 O48 Se16 Zn12 -","4","0.5","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0358","0.0238","","","0.0252","0.0267","","","","1.37","1.37","1.29","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560652","14.0633","0.0001","7.1025","0.0002","14.6078","0.0002","90","","94.3127","0.0014","90","","1454.96","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O12 Rb2 Se4 Zn3 -","- O12 Rb2 Se4 Zn3 -","- O48 Rb8 Se16 Zn12 -","4","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0746","0.041","","","0.038","0.0422","","","","1.37","1.37","1.21","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560653","7.209","0.0003","7.5447","0.0003","14.6494","0.0005","87.627","0.002","86.869","0.002","73.756","0.002","763.54","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 O12 Se4 Zn3 -","- Cs2 O12 Se4 Zn3 -","- Cs4 O24 Se8 Zn6 -","2","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0559","0.0447","","","0.0559","0.0576","","","","2.38","2.38","2.19","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560654","7.8035","0.0001","13.4609","0.0002","30.154","0.0005","90","","90.4219","0.0011","90","","3167.35","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H4 O26 Se8 Zn6 -","- Cs4 H4 O26 Se8 Zn6 -","- Cs16 H16 O104 Se32 Zn24 -","4","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0928","0.0369","","","0.0341","0.0397","","","","1.2","1.2","1.02","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560655","7.5093","0.0003","9.7918","0.0004","9.9128","0.0004","77.0869","0.0019","72.8487","0.0018","88.32","0.002","678.33","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- Cs2 H4 O11 Se3 Zn2 -","- Cs2 H4 O11 Se3 Zn2 -","- Cs4 H8 O22 Se6 Zn4 -","2","1","","Lü, Minfeng; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min","Variable dimensionality and framework found in a series of quaternary zinc selenites, A 2 Zn 3 (SeO 3 ) 4 · x H 2 O (A = Na, Rb, and Cs; 0≤ x ≤1) and Cs 2 Zn 2 (SeO 3 ) 3 ·2H 2 O","Journal of Solid State Chemistry","2017","245","","1","9","10.1016/j.jssc.2016.09.031","","x-ray","0.71073","MoKα","","0.0698","0.0359","","","0.0334","0.0368","","","","1.29","1.29","1.13","","","","has coordinates","262230","2021-02-25","10:23:51",""
"1560656","8.1266","0.0006","8.1266","0.0006","6.9236","0.0007","90","","90","","120","","395.99","0.06","296","","296","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C9.52 H19.2 Cr0.46 N1.54 Ni1.54 O12 -","- C9.5196 H6 Cr0.46 N1.5396 Ni1.54 O12 -","- C9.5196 H6 Cr0.46 N1.5396 Ni1.54 O12 -","1","0.0833333","","Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek","Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations","Journal of Solid State Chemistry","2017","245","","23","29","10.1016/j.jssc.2016.10.005","powder diffraction","x-ray","1.54051","","","0.0603","0.054","","0.0635","0.0631","","","","3.63","","","","","","","has coordinates","262255","2021-02-26","09:23:14",""
"1560657","8.1246","0.0002","8.1246","0.0002","7.0011","0.0003","90","","90","","120","","400.22","0.02","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C9.76 H19.52 Fe0.5 N1.5 Ni1.5 O12 -","- C9.7596 H7.8792 Fe0.4998 N1.4988 Ni1.5002 O12 -","- C9.7596 H7.8792 Fe0.4998 N1.4988 Ni1.5002 O12 -","1","0.0833333","","Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek","Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations","Journal of Solid State Chemistry","2017","245","","23","29","10.1016/j.jssc.2016.10.005","","x-ray","0.71073","MoKα","","0.0337","0.0274","","","0.0601","0.0621","","","","","","1.196","","","","has coordinates,has disorder","262255","2021-02-26","09:23:15",""
"1560658","19.0075","0.0018","21.366","0.002","23.337","0.002","90","","108.588","0.003","90","","8983.1","1.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 Cd2 Ce Cl8 N24 O30 -","- C60 H72 Cd2 Ce Cl8 N24 O25 -","- C240 H288 Cd8 Ce4 Cl32 N96 O100 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0759","0.0536","","","0.1579","0.1765","","","","","","1.013","","","","has coordinates","262256","2021-02-26","09:41:14",""
"1560659","18.9832","0.0014","21.1627","0.0016","23.18","0.0017","90","","109.603","0.001","90","","8772.5","1.1","293","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H100 Cd2 Cl8 Dy N25 O28 -","- C60 H72 Cd2 Cl8 Dy N25 O28 -","- C240 H288 Cd8 Cl32 Dy4 N100 O112 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0519","0.0426","","","0.1264","0.1343","","","","","","1.015","","","","has coordinates,has disorder","262256","2021-02-26","09:41:18",""
"1560660","18.924","0.004","21.154","0.004","23.164","0.004","90","","109.343","0.005","90","","8750","3","293","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H104 Cd2 Cl8 Gd N25 O30 -","- C60 H72 Cd2 Cl8 Gd N25 O29 -","- C240 H288 Cd8 Cl32 Gd4 N100 O116 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.073","0.0593","","","0.1785","0.1901","","","","","","1.022","","","","has coordinates,has disorder","262256","2021-02-26","09:41:20",""
"1560661","29.417","0.0017","16.7935","0.001","18.281","0.002","90","","125.898","0.001","90","","7315.7","1","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H98 Cd Cl4 N24 O24 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0586","0.0556","","","0.1517","0.1555","","","","","","1.013","","","","has coordinates","262256","2021-02-26","09:41:20",""
"1560662","19.087","0.016","21.406","0.019","23.42","0.02","90","","108.428","0.01","90","","9078","14","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 Cd2 Cl8 La N24 O30 -","- C60 H72 Cd2 Cl8 La N24 O24 -","- C240 H288 Cd8 Cl32 La4 N96 O96 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0934","0.059","","","0.1575","0.1821","","","","","","1.015","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560663","18.916","0.005","21.139","0.006","23.229","0.006","90","","109.079","0.005","90","","8778","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H216 Cd4 Cl16 N48 Nd2 O60 -","- C120 H144 Cd4 Cl16 N48 Nd2 O44 -","- C240 H288 Cd8 Cl32 N96 Nd4 O88 -","2","0.5","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0809","0.0604","","","0.1746","0.1938","","","","","","1.018","","","","has coordinates,has disorder","262256","2021-02-26","09:41:21",""
"1560664","19.079","0.008","21.41","0.009","23.413","0.01","90","","108.886","0.012","90","","9049","7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H106 Cd2 Cl8 N24 O29 Pr -","- C60 H72 Cd2 Cl8 N24 O23 Pr -","- C240 H288 Cd8 Cl32 N96 O92 Pr4 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0678","0.048","","","0.135","0.1467","","","","","","1.004","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560665","18.964","0.003","21.272","0.003","23.239","0.004","90","","109.333","0.006","90","","8846","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H104 Cd2 Cl8 N24 O28 Sm -","- C60 H72 Cd2 Cl8 N24 O21 Sm -","- C240 H288 Cd8 Cl32 N96 O84 Sm4 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.054","0.045","","","0.1331","0.1414","","","","","","1.002","","","","has coordinates,has disorder","262256","2021-02-26","09:41:21",""
"1560666","19.0204","0.0016","21.1359","0.0018","23.165","0.0019","90","","109.292","0.001","90","","8789.7","1.3","293","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H100 Cd2 Cl8 N25 O28 Tb -","- C60 H72 Cd2 Cl8 N25 O26 Tb -","- C240 H288 Cd8 Cl32 N100 O104 Tb4 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0516","0.0419","","","0.1231","0.1294","","","","","","1.017","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560667","29.452","0.008","16.881","0.005","18.244","0.006","90","","125.881","0.007","90","","7349","4","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H98 Cd Cl4 N24 O24 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0942","0.0863","","","0.2375","0.2449","","","","","","1.026","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560668","29.3272","0.0018","16.7251","0.0009","18.23","0.001","90","","125.95","0.002","90","","7238.7","0.7","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H96 Cd Cl4 N24 O23 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0494","0.0482","","","0.1353","0.1368","","","","","","1.008","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560669","9.947","0.0018","10.8985","0.0019","12.115","0.002","98.488","0.003","91.272","0.003","115.376","0.003","1168.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Eu2 N8 O22 S4 -","- C40 H24 Eu2 N8 O22 S4 -","- C40 H24 Eu2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0548","0.0418","","","0.0817","0.0876","","","","","","1.022","","","","has coordinates","262257","2021-02-26","09:54:17",""
"1560670","9.896","0.002","10.818","0.002","12.129","0.003","98.549","0.003","91.24","0.003","115.143","0.004","1157.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 N8 O22 S4 Tb2 -","- C40 H20 N8 O22 S4 Tb2 -","- C40 H20 N8 O22 S4 Tb2 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0877","0.0768","","","0.1839","0.1914","","","","","","1.053","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560671","9.8513","0.001","10.7632","0.0011","12.1556","0.0013","98.705","0.002","91.312","0.002","115.134","0.002","1147.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Dy2 N8 O22 S4 -","- C40 H32 Dy2 N8 O22 S4 -","- C40 H32 Dy2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0258","0.0233","","","0.0554","0.0566","","","","","","1.033","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560672","9.8198","0.0018","10.72","0.002","12.168","0.002","98.762","0.003","91.241","0.003","115.107","0.003","1141","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ho2 N8 O22 S4 -","- C40 H20 Ho2 N8 O22 S4 -","- C40 H20 Ho2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0667","0.0552","","","0.125","0.1335","","","","","","1.02","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560673","9.875","0.006","10.763","0.006","12.277","0.007","98.756","0.011","91.256","0.011","115.101","0.011","1162.4","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Er2 N8 O22 S4 -","- C40 H20 Er2 N8 O22 S4 -","- C40 H20 Er2 N8 O22 S4 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.1276","0.0852","","","0.1885","0.2178","","","","","","0.981","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560674","9.755","0.002","10.621","0.002","12.21","0.003","98.866","0.004","91.245","0.004","114.723","0.003","1130.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 N8 O22 S4 Yb2 -","- C40 H24 N8 O22 S4 Yb2 -","- C40 H24 N8 O22 S4 Yb2 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0787","0.0499","","","0.0769","0.0858","","","","","","0.975","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560675","9.842","0.004","10.726","0.004","12.166","0.008","98.632","0.01","91.294","0.011","115.071","0.007","1144.8","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 N8 O22 S4 Y2 -","- C40 H20 N8 O22 S4 Y2 -","- C40 H20 N8 O22 S4 Y2 -","1","0.5","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.1567","0.1156","","","0.2807","0.3144","","","","","","1.074","","","","has coordinates","262257","2021-02-26","09:54:18",""
"1560676","9.515","0.007","10.257","0.008","15.309","0.012","76.429","0.01","76.402","0.011","76.309","0.011","1385.4","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N4 Nd O16 S2 -","- C21 H23 N4 Nd O16 S2 -","- C42 H46 N8 Nd2 O32 S4 -","2","1","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0281","0.0263","","","0.069","0.0704","","","","","","1.037","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560677","9.4871","0.0014","10.0898","0.0016","15.174","0.002","76.306","0.002","76.246","0.002","76.33","0.002","1345.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N4 O16 S2 Sm -","- C21 H23 N4 O16 S2 Sm -","- C42 H46 N8 O32 S4 Sm2 -","2","1","","Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands","Journal of Solid State Chemistry","2017","245","","67","73","10.1016/j.jssc.2016.09.033","","","0.71073","MoKα","","0.0512","0.0426","","","0.1143","0.1207","","","","","","1.051","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1560678","15.492","0.0014","6.9701","0.0005","22.633","0.002","90","","104.161","0.002","90","","2369.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O6 Sr -","- C25 H24 N2 O6 Sr -","- C100 H96 N8 O24 Sr4 -","4","1","","Meng, Jiang Ping; Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Lin, Jian Hua","Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4′-carboxylphenyl)benzene","Journal of Solid State Chemistry","2017","245","","74","81","10.1016/j.jssc.2016.10.007","","","0.71073","MoKα","","0.0702","0.0474","","","0.1161","0.123","","","","","","1.108","","","","has coordinates","262258","2021-02-26","10:05:04",""
"1560679","19.0308","0.0016","12.4274","0.0011","7.8399","0.0007","90","","101.846","0.002","90","","1814.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Ba O6 -","- C20 H16 Ba O6 -","- C80 H64 Ba4 O24 -","4","1","","Meng, Jiang Ping; Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Lin, Jian Hua","Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4′-carboxylphenyl)benzene","Journal of Solid State Chemistry","2017","245","","74","81","10.1016/j.jssc.2016.10.007","","","0.71073","MoKα","","0.0585","0.0446","","","0.1123","0.1232","","","","","","1.016","","","","has coordinates","262258","2021-02-26","10:05:05",""
"1560680","13.48","0.004","13.79","0.004","13.99","0.004","90","","90","","90","","2600.6","1.3","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Ga S9 Sb Y4 -","- Ga S9 Sb Y4 -","- Ga8 S72 Sb8 Y32 -","8","1","","Wang, Yue; Zou, Xiaochuan; Feng, Xia; Shi, Yongfang; Wu, Liming","Quaternary non-centrosymmetric sulfide Y 4 GaSbS 9 : Syntheses, structures, optical properties and theoretical studies","Journal of Solid State Chemistry","2017","245","","110","114","10.1016/j.jssc.2016.10.012","","","0.71073","MoKα","","0.0214","0.0192","","","0.0314","0.0321","","","","","","0.901","","","","has coordinates","262259","2021-02-26","10:09:44",""
"1560681","5.4278","0.0005","6.8421","0.0006","9.1696","0.0009","90","","96.48","0.002","90","","338.36","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As2 Mn3 O8 -","- As2 Mn3 O8 -","- As4 Mn6 O16 -","2","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.023","0.0215","","","0.0529","0.0539","","","","","","1.105","","","","has coordinates","262260","2021-02-26","10:15:22",""
"1560682","9.1129","0.0008","11.7658","0.0011","6.4204","0.0006","90","","98.727","0.002","90","","680.43","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As2 Mn3 O8 -","- As2 Mn3 O8 -","- As8 Mn12 O32 -","4","1","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0183","0.0159","","","0.0396","0.0402","","","","","","1.075","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560683","8.2315","0.0005","8.5673","0.0005","22.5625","0.0012","90","","90","","90","","1591.15","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As4 Cl2 Mn7 O16 -","- As4 Cl2 Mn7 O16 -","- As16 Cl8 Mn28 O64 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0166","0.0156","","","0.0371","0.0375","","","","","","1.062","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560684","8.5552","0.0007","32.5091","0.0012","9.041","0.0007","90","","90","","90","","2514.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As7 Cl Mn11 O28 -","- As7 Cl Mn11 O28 -","- As28 Cl4 Mn44 O112 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0239","0.0216","","","0.0506","0.0517","","","","","","1.065","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560685","8.5719","0.0006","32.558","0.002","9.0345","0.0007","90","","90","","90","","2521.4","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As7 Br Mn11 O28 -","- As7 Br Mn11 O28 -","- As28 Br4 Mn44 O112 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0434","0.0312","","","0.0586","0.0632","","","","","","1.044","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560686","9.8823","0.0012","9.8823","0.0012","6.2222","0.0016","90","","90","","120","","526.25","0.16","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- As3 Cl Mn5 O12 -","- As3 Cl Mn5 O12 -","- As6 Cl2 Mn10 O24 -","2","0.166667","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0176","0.0165","","","0.0396","0.04","","","","","","1.14","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560687","9.2998","0.0019","9.6832","0.0019","11.217","0.002","72.55","0.03","81.06","0.03","64.68","0.03","870.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N0 O9 Tb -","- C15 H7 O9 Tb -","- C30 H14 O18 Tb2 -","2","1","","Wang, Shengyan; Shan, Liang; Fan, Yong; Jia, Jia; Xu, Jianing; Wang, Li","Fabrication of Ln-MOFs with color-tunable photoluminescence and sensing for small molecules","Journal of Solid State Chemistry","2017","245","","132","137","10.1016/j.jssc.2016.10.006","","","0.71073","MoKα","","0.0198","0.0183","","","0.0487","0.0495","","","","","","1.066","","","","has coordinates","262261","2021-02-26","10:24:51",""
"1560688","9.2809","0.0019","9.6946","0.0019","11.191","0.002","71.49","0.03","80.36","0.03","64.27","0.03","859.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Eu N0 O9 -","- C15 H7 Eu O9 -","- C30 H14 Eu2 O18 -","2","1","","Wang, Shengyan; Shan, Liang; Fan, Yong; Jia, Jia; Xu, Jianing; Wang, Li","Fabrication of Ln-MOFs with color-tunable photoluminescence and sensing for small molecules","Journal of Solid State Chemistry","2017","245","","132","137","10.1016/j.jssc.2016.10.006","","","0.71073","MoKα","","0.0363","0.0316","","","0.0879","0.0895","","","","","","1.104","","","","has coordinates","262261","2021-02-26","10:24:52",""
"1560689","9.3092","0.0019","9.7315","0.0019","11.258","0.002","72.32","0.03","80.83","0.03","64.48","0.03","876.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Gd N0 O9 -","- C15 H7 Gd O9 -","- C30 H14 Gd2 O18 -","2","1","","Wang, Shengyan; Shan, Liang; Fan, Yong; Jia, Jia; Xu, Jianing; Wang, Li","Fabrication of Ln-MOFs with color-tunable photoluminescence and sensing for small molecules","Journal of Solid State Chemistry","2017","245","","132","137","10.1016/j.jssc.2016.10.006","","","0.71073","MoKα","","0.0248","0.0229","","","0.0713","0.0721","","","","","","1.181","","","","has coordinates","262261","2021-02-26","10:24:52",""
"1560690","8.709","0.0009","10.5806","0.0006","12.8577","0.0011","90","","109.543","0.007","90","","1116.54","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N2 O5 S2 -","- C8 H6 Cu N2 O5 S2 -","- C32 H24 Cu4 N8 O20 S8 -","4","1","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.0442","0.0298","","","0.0724","0.0745","","","","","","0.974","","","","has coordinates","262262","2021-02-26","10:39:18",""
"1560691","8.7377","0.0007","10.5776","0.0012","12.8766","0.001","90","","109.733","0.006","90","","1120.22","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N2 O5 S2 -","- C8 H6 Cu N2 O5 S2 -","- C32 H24 Cu4 N8 O20 S8 -","4","1","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.0296","0.0211","","","0.0487","0.0498","","","","","","0.937","","","","has coordinates","262262","2021-02-26","10:39:18",""
"1560692","7.4646","0.0009","11.4558","0.0011","8.6518","0.001","90","","100.227","0.009","90","","728.09","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cu N2 O6 S2 -","- C10 H12 Cu N2 O6 S2 -","- C20 H24 Cu2 N4 O12 S4 -","2","0.5","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.06","0.0303","","","0.0568","0.0611","","","","","","0.803","","","","has coordinates","262262","2021-02-26","10:39:18",""
"1560693","12.171","0.0011","23.252","0.0019","12.7039","0.0011","90","","116.025","0.006","90","","3230.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cu2 N8 O10 S2 -","- C32 H20 Cu2 N8 O10 S2 -","- C128 H80 Cu8 N32 O40 S8 -","4","0.5","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.0549","0.028","","","0.0517","0.0552","","","","","","0.797","","","","has coordinates","262262","2021-02-26","10:39:19",""
"1560694","6.78","0.002","12.082","0.005","6.403","0.003","90","","90","","90","","524.5","0.4","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H3 N O2 S -","- C4 H3 N O2 S -","- C16 H12 N4 O8 S4 -","4","0.5","","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation","Journal of Solid State Chemistry","2017","245","","138","145","10.1016/j.jssc.2016.10.009","","","0.71073","MoKα","","0.068","0.0545","","","0.1371","0.1452","","","","","","0.956","","","","has coordinates","262262","2021-02-26","10:39:19",""
"1560695","9.0846","0.0001","10.3808","0.0001","12.9109","0.0002","100.666","0.001","104.31","0.001","102.978","0.001","1111.71","0.03","293","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd N5 O6 -","- C19 H21 Cd N5 O6 -","- C38 H42 Cd2 N10 O12 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties","Journal of Solid State Chemistry","2017","245","","146","151","10.1016/j.jssc.2016.10.015","","","0.71073","MoKα","","0.0994","0.0743","","","0.1851","0.2024","","","","","","1.009","","","","has coordinates","262263","2021-02-26","10:44:45",""
"1560696","8.6773","0.0006","10.3497","0.0006","14.1097","0.0009","108.56","0.003","99.97","0.004","103.218","0.004","1127.15","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H41 Cd2 N11 O11 -","- C47 H41 Cd2 N11 O11 -","- C47 H41 Cd2 N11 O11 -","1","0.5","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties","Journal of Solid State Chemistry","2017","245","","146","151","10.1016/j.jssc.2016.10.015","","","0.71073","MoKα","","0.1124","0.0852","","","0.235","0.2526","","","","","","1.07","","","","has coordinates,has disorder","262264","2021-02-26","10:46:24",""
"1560697","10.342","0.004","15.079","0.004","25.117","0.006","90","0.3","90","0.4","90","0.2","3917","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H37 Cd2 N7 O10 -","- C37 H37 Cd2 N7 O10 -","- C148 H148 Cd8 N28 O40 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties","Journal of Solid State Chemistry","2017","245","","146","151","10.1016/j.jssc.2016.10.015","","","0.71069","MoKα","","0.0771","0.0722","","","0.1829","0.1876","","","","","","1.017","","","","has coordinates","262265","2021-02-26","10:48:09",""
"1560698","7.007","0.0014","13.88","0.003","14.702","0.003","86.48","0.03","88.99","0.03","83.46","0.03","1417.8","0.5","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- Al4 B14 Ba6 O33 -","- Al4 B14 Ba6 O33 -","- Al8 B28 Ba12 O66 -","2","1","","Chen, Xuean; Yue, Jianying; Chang, Xinan; Xiao, Weiqiang","Synthesis and characterization of a new borate Ba 6 Al 4 B 14 O 33 with building blocks of AlO 4 , Al 4 O 14 , BO 3 , B 6 O 14 , and B 6 O 13","Journal of Solid State Chemistry","2017","245","","174","183","10.1016/j.jssc.2016.10.014","","","0.71073","MoKα","","0.0581","0.0413","","","0.107","0.1108","","","","","","1.09","","","","has coordinates","262266","2021-02-26","10:55:11",""
"1560699","19.6025","0.001","23.5274","0.0012","25.9223","0.0013","90","","90","","90","","11955.3","1.1","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H19 N3 Ni O6 -","- C29 H19 N3 Ni O6 -","- C464 H304 N48 Ni16 O96 -","16","1","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.0473","0.035","","","0.1076","0.1132","","","","","","1.053","","","","has coordinates","262268","2021-02-26","11:10:34",""
"1560700","16.201","0.003","49.374","0.008","10.0575","0.0016","90","","110.045","0.003","90","","7558","2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H21 Co N4 O5 -","- C34 H21 Co N4 O5 -","- C272 H168 Co8 N32 O40 -","8","1","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.1298","0.0785","","","0.1813","0.193","","","","","","1.06","","","","has coordinates,has disorder","262268","2021-02-26","11:10:46",""
"1560701","9.15","0.005","10.646","0.006","18.489","0.01","96.738","0.006","103.275","0.006","103.868","0.006","1673.3","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H27 Co N5 O6 -","- C39 H27 Co N5 O6 -","- C78 H54 Co2 N10 O12 -","2","1","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.0494","0.0401","","","0.1113","0.1179","","","","","","1.031","","","","has coordinates","262268","2021-02-26","11:10:46",""
"1560702","9.346","0.007","10.627","0.008","13.27","0.01","108.791","0.009","93.295","0.009","105.981","0.009","1183.9","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H36 Cu N6 O10 -","- C58 H36 Cu N6 O10 -","- C58 H36 Cu N6 O10 -","1","0.5","","Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing","Design and construction of diverse structures of coordination polymers: Photocatalytic properties","Journal of Solid State Chemistry","2017","245","","213","218","10.1016/j.jssc.2016.10.021","","","0.71073","MoKα","","0.0502","0.0387","","","0.1044","0.1116","","","","","","1.001","","","","has coordinates","262268","2021-02-26","11:10:47",""
"1564821","12.0051","0.0002","10.4423","0.0001","19.9229","0.0002","90","","95.254","0.001","90","","2487.06","0.05","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H58 Ca N2 Na8 O44 P6 -","- C6 H58 Ca N2 Na8 O44.002 P6 -","- C12 H116 Ca2 N4 Na16 O88.004 P12 -","2","0.5","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.","Synthesis and Structure of Decaaqua-Hexasodium-Calcium Bis-nitrilotris(methylenephosphonate) Bis(hexaaquasodium) Tetrahydrate [CaNa6{NH(CH2PO3)3}2(H2O)10][Na(H2O)6]2 4H2O","Crystallography Reports","2017","62","3","397","404","10.1134/S1063774517030208","","x-ray","0.71073","MoKα","","0.0421","0.0398","","","0.1114","0.1133","","","","","","1.076","","","","has coordinates","269564","2021-10-05","10:00:38",""
"1564822","13.9117","0.001","11.5403","0.0001","24.1784","0.0017","90","","148.785","0.018","90","","2011.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H23 Ba2 N Na O17 P3 -","- C3 H23 Ba2 N Na O17 P3 -","- C12 H92 Ba8 N4 Na4 O68 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.","Synthesis and Structure of Heptaaqua{nitrilotris(methylenephosphonato)}(dibarium)sodium Monohydrate [Na(H2O)3{6-NH(CH2PO3)3}(-H2O)3Ba2(H2O)] H2O","Crystallography Reports","2017","62","2","232","237","10.1134/S1063774517020262","","x-ray","0.71073","MoKα","","0.0366","0.0279","","","0.0578","0.0605","","","","","","1.068","","","","has coordinates","269565","2021-10-05","10:00:48",""
"1564824","10.3861","0.0002","10.8047","0.0001","21.2707","0.0004","90","","128.413","0.003","90","","1870.32","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Gd2 N14 O26 -","- C16 H36 Gd2 N14 O26 -","- C32 H72 Gd4 N28 O52 -","2","0.5","","Netreba, E.E.; Somov, N.V.","Crystal structure of a new binuclear complex of bis(2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo(3.3.0)octane -3,7-dione-O, O)-diaqua-hexakis(nitrato-O,O)-digadolinium(III) monohydrate","Journal of Structural Chemistry","2017","58","4","838","842","10.1134/S0022476617040321","","x-ray","0.71073","MoKα","","0.0207","0.019","","","0.0421","0.0426","","","","","","1.27","","","","has coordinates","269569","2021-10-05","10:02:04",""
"1564825","8.038","0.0003","9.0522","0.0004","10.7837","0.0004","113.252","0.004","105.391","0.003","96.182","0.003","674.77","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H12 N O10 P3 Rb2 -","- C3 H12 N O10 P3 Rb2 -","- C6 H24 N2 O20 P6 Rb4 -","2","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Shumilova, M.A.; Aleksandrov, V.A.; Petrov, V.G.","Aquanitrilotris(methylenephosphonato)dirubidium [Rb2(H2O){12-NH(CH2PO3H)3}]: Synthesis and Structure","Crystallography Reports","2017","62","5","734","738","10.1134/S1063774517050212","","x-ray","0.71073","MoKα","","0.0317","0.0259","","","0.0627","0.0653","","","","","","1.048","","","","has coordinates","269571","2021-10-05","10:02:25",""
"1564826","10.8942","0.0003","13.1882","0.0004","14.0016","0.0004","65.885","0.003","82.401","0.002","83.143","0.002","1815.23","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H40 N2 Na4 O30 P6 Pb2 -","- C6 H40 N2 Na4 O30 P6 Pb2 -","- C12 H80 N4 Na8 O60 P12 Pb4 -","2","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Reshetnikov, S.M.; Shishkin, A.S.; Shumilova, M.A.; Aleksandrov, V.A.; Petrov, V.G.","Chelate Complexes of Lead(II) with Nitrilotris(methylenephosphonic) Acid [Pb{5-NH(CH2PO3H)3}] and Na4[Pb2(H2O)2{3-N(CH2PO3)3H2}2] 10H2O: Synthesis, Structure, and Asymmetry of Lone 6s Pair","Crystallography Reports","2017","62","6","857","867","10.1134/S1063774517050224","","x-ray","0.71073","MoKα","","0.0304","0.0244","","","0.0512","0.0535","","","","","","1.091","","","","has coordinates,has disorder","269572","2021-10-05","10:02:34",""
"1564827","9.7385","0.0002","10.2542","0.0002","21.6517","0.0003","90","","93.706","0.001","90","","2157.63","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H25 Mo N3 Na3 O19 P3 -","- C3 H25 Mo N3 Na3 O19 P3 -","- C12 H100 Mo4 N12 Na12 O76 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Fedotova, I.V.; Lomova, N.V.; Shabanova, I.N.; Petrov, V.G.; Shumilova, M.A.; Zhirov, D.K.","The Trisodium Monohydrogen-Nitrilo-Tris-Methylenephosphonato-Hydroxylaminato-Nitrosyl-Molybdate Octahydrate Na3[Mo(NO)(NH2O){N(CH2PO3)3H}] 8H2O: Synthesis, Structure, and Nature of Coordination Bond of Transition Metal with Non-Innocent Ligand","Russian Journal of Coordination Chemistry","2017","43","12","864","873","10.1134/S1070328417120090","","x-ray","0.71073","MoKα","","0.0294","0.0253","","","0.0575","0.059","","","","","","1.114","","","","has coordinates","269579","2021-10-05","10:04:31",""
"1566175","9.193","0.002","7.6493","0.0017","11.637","0.003","90","","108.145","0.005","90","","777.6","0.3","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","","Kerr, Ryan W.F.; Greenhalgh, Mark D.; Slawin, Alexandra M.Z.; Arnold, Polly L.; Smith, Andrew D.","Enantioselective N-heterocyclic carbene catalyzed formal [3+2] cycloaddition using α-aroyloxyaldehydes and oxaziridines","Tetrahedron: Asymmetry","2017","28","1","125","134","10.1016/j.tetasy.2016.10.012","","","0.71075","MoKα","","0.0485","0.0465","","","0.1242","0.1267","","","","","","1.03","","","","has coordinates","272273","2022-01-27","09:29:42",""
"1566253","9.0296","0.0008","10.9557","0.0008","15.8249","0.0015","89.585","0.007","85.349","0.008","84.251","0.007","1552.5","0.2","295","2","295","","","","","","","","","7","P -1","-P 1","2","","","","- Al As0.617 H24 O37.5 P2.383 Pb U5 -","- Al As0.62 O37.5 P2.38 Pb U5 -","- Al2 As1.24 O75 P4.76 Pb2 U10 -","2","1","","Plášil, Jakub","A novel sheet topology in the structure of kamitugaite, PbAl [(UO2)5 (PO4)2.38 (AsO4)0.62 O2 (OH)2] (H2O)11.5","Journal of Geosciences","2017","62","","253","260","10.3190/jgeosci.246","","x-ray","0.71073","MoKα","","0.1511","0.1074","","","0.2538","0.2751","","","","1.81","1.81","1.48","","","","has coordinates","274766","2022-04-29","12:14:36",""
"1566254","10.1729","0.0003","13.5088","0.0004","4.7496","0.0001","90","","105.399","0.002","90","","629.28","0.03","297","1","297","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- As2 Co0 Cu2.92 H16 O16 Zn0 -","- As2 Cu2.921 H16 O16 -","- As4 Cu5.842 H32 O32 -","2","0.25","","Jakub Plasil; Pavel Skacha; Jiri Sejkora; Radek Skoda; Milan Novak; Frantisek Veselovsky; Jan Hlousek","Babanekite, Cu3(AsO4)2 . 8H2O, from Jachymov, Czech Republic - a new member of the vivianite group","Journal of GeoSciences","2017","62","","261","270","10.3190/jgeosci.248","","x-ray","0.7107","MoKα","","0.0277","0.0218","","","0.0508","0.0527","","","","1.47","1.47","1.4","","","","has coordinates","272417","2022-02-02","09:38:42",""
"1566255","17.0069","0.0005","18.0273","0.0005","18.3374","0.0005","90","","90","","90","","5622","0.3","300","1","300","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C6 H0 Ca3 K1.952 Na0 O29.167 U2 -","- C6 Ca3 K1.954 O29.17 U2 -","- C48 Ca24 K15.632 O233.36 U16 -","8","1","","Jakub Plasil; Jiri Cejka; Jiri Sejkora; Jan Hlousek; Radek Skoda; Milan Novak; Michal Dusek; Ivana Cisarova; Ivan Nemec; Jana Ederova","Linekite, K2Ca3[(UO2)(CO3)3]2 . 8H2O, a new uranyl carbonate mineral from Jachymov, Czech Republic","Journal of GeoSciences","2017","62","","201","213","10.3190/jgeosci.241","","x-ray","0.7107","MoKα","","0.0545","0.034","","","0.0783","0.084","","","","1.82","1.82","1.64","","","","has coordinates","272418","2022-02-02","09:46:32",""
"1566256","9.428","0.0003","20.8445","0.0005","13.4207","0.0004","90","","107.962","0.003","90","","2508.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O27.5 P2 U3 -","- Al8 O110 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.0835","0.0571","","","0.1311","0.1491","","","","","","1.07","","","","has coordinates","272419","2022-02-02","10:01:59",""
"1566257","9.4417","0.0003","20.8596","0.0008","13.4326","0.0006","90","","107.905","0.004","90","","2517.42","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O27.5 P2 U3 -","- Al8 O110 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.1042","0.0551","","","0.1065","0.1411","","","","","","1.05","","","","has coordinates","272420","2022-02-02","10:02:12",""
"1566258","9.4423","0.0005","20.8723","0.0009","13.4307","0.0006","90","","107.862","0.005","90","","2519.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O27.5 P2 U3 -","- Al8 O110 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.1152","0.0665","","","0.1414","0.1674","","","","","","1.042","","","","has coordinates","272421","2022-02-02","10:02:25",""
"1566259","9.4467","0.0002","20.9023","0.0006","13.4396","0.0003","90","","107.944","0.003","90","","2524.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al2 H20 O27 P2 U3 -","- Al2 O28 P2 U3 -","- Al8 O112 P8 U12 -","4","1","","Fabrice Dal Bo; Frederic Hatert; Simon Philippo","New crystallographic data and formula revision of phuralumite, Al2[(UO2)3(PO4)2O(OH)](OH)3(H2O)9","Journal of GeoSciences","2017","62","","87","95","10.3190/jgeosci.233","","x-ray","0.71073","MoKα","","0.0522","0.0353","","","0.0768","0.0835","","","","","","1.025","","","","has coordinates","272422","2022-02-02","10:02:38",""
"1566260","15.5362","0.0002","15.5362","0.0002","11.796","0.0003","90","","90","","90","","2847.24","0.09","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- Al12 Ca19 Mg O78 Si17.83 -","- Al12 Ca19 Mg O78 Si17.833 -","- Al24 Ca38 Mg2 O156 Si35.666 -","2","0.25","","Taras L. Panikorovskii; Vladimir V. Shilovskikh; Evgenia Yu. Avdontseva; Andrey A. Zolotarev; Vladimir Yu. Karpenko; Anton S. Mazur; Victor N. Yakovenchuk; Ayya V. Bazai; Sergey V. Krivovichev; Igor V. Pekov","Magnesiovesuvianite, Ca19Mg(Al,Mg)12Si18O69(OH)9, a new vesuvianite-group mineral","Journal of GeoSciences","2017","62","","25","36","10.3190/jgeosci.229","","","0.71073","MoKα","","0.0292","0.027","","","0.0702","0.0712","","","","","","1.24","","","","has coordinates","272423","2022-02-02","10:07:55",""
"1570299","9.38279","0.000086","11.8196","0.00009","16.03958","0.00015","90","","90","","90","","1778.8","0.03","294","","294","2","","","1000","","","","","5","P 21 21 21","P 2ac 2ab","19","Bistetramethylammonium hydrogencyclo-triphosphate","Bistetramethylammonium hydrogencyclo-triphosphate","","- C8 H25 N2 O9 P3 -","- C8 H25 N2 O9 P3 -","- C32 H100 N8 O36 P12 -","4","1","","Mangstl, Martin; Celinski, Vinicius R.; Pritzel, Christian; Trettin, Reinhard; Schmedt auf der Günne, Jörn","Irreversible Phase Transition of Bistetramethylammonium Hydrogencyclotriphosphate","Zeitschrift für anorganische und allgemeine Chemie","2017","643","21","1609","1614","10.1002/zaac.201700246","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.01471","","1.61","","","","","","","has coordinates","287579","2023-11-14","07:28:05",""
"2020683","9.6931","0.0019","15.699","0.003","14.614","0.003","90","","108.99","0.03","90","","2102.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","","- C21 H18 Br2 N4 O3 -","- C21 H18 Br2 N4 O3 -","- C84 H72 Br8 N16 O12 -","4","1","WM5334","Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Yang, Jun Jie; Chi, Shao M.ing","Crystal structure of <i>N</i>-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","Acta Crystallographica Section E","2017","73","1","1","3","10.1107/S2056989016019034","","","0.71073","MoKα","","0.1538","0.0616","","","0.1193","0.1477","","","","","","0.978","","","","has coordinates,has Fobs","191425","2020-10-21","18:00:00",""
"2020684","8.7561","0.0005","9.0016","0.0005","12.8869","0.0007","90","","90","","90","","1015.73","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-2-iodoimidazole","1-Benzyl-2-iodo-1<i>H</i>-imidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","KU3188","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0132","0.0129","","","0.0299","0.03","","","","","","1.051","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020685","8.4574","0.0005","6.1526","0.0003","19.4261","0.001","90","","96.362","0.001","90","","1004.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Benzyl-4-iodobenzimidazole","1-Benzyl-4-iodo-1<i>H</i>-benzimidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0172","0.0161","","","0.0363","0.0367","","","","","","1.106","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020686","6.4606","0.0008","8.2346","0.001","12.3451","0.0014","108.064","0.001","94.174","0.002","95.366","0.002","618.05","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-Benzyl-2-iodobenzimidazole","1-Benzyl-2-iodo-1<i>H</i>-benzimidazole","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C28 H22 I2 N4 -","2","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0159","0.0154","","","0.0386","0.0389","","","","","","1.09","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020687","30.5388","0.0009","8.0984","0.0002","15.081","0.0004","90","","90","","90","","3729.76","0.17","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C136 H152 N40 O16 S8 -","8","2","WQ3116","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0854","0.0472","","","0.091","0.1045","","","","","","1","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020688","9.692","0.0002","25.1673","0.0006","7.9853","0.0002","90","","90","","90","","1947.79","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C18 H21 N5 O2 S -","- C18 H21 N5 O2 S -","- C72 H84 N20 O8 S4 -","4","1","","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0406","0.0366","","","0.0987","0.1021","","","","","","1.03","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020689","8.843","0.003","17.485","0.005","5.041","0.003","90","","90","","90","","779.4","0.6","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C24 H36 N12 S4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0492","0.042","","","0.0994","0.1045","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020690","7.235","0.003","7.548","0.003","10.297","0.004","105.42","0.03","98.15","0.03","112.43","0.03","482","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[nitratocopper(I)]","","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0466","0.0343","","","0.0903","0.0956","","","","","","1.056","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020691","7.754","0.003","7.965","0.003","10.372","0.004","67.57","0.03","89.99","0.03","61.07","0.03","504.6","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[(tetrafluoroborato)copper(I)]","","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0269","0.0223","","","0.0604","0.0614","","","","","","1.065","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020692","7.379","0.003","18.78","0.005","14.702","0.004","90","","94.82","0.03","90","","2030.2","1.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Aqua-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}bis[nitratocopper(I)]","","- C10 H16 Cu2 N8 O7 S4 -","- C10 H16 Cu2 N8 O7 S4 -","- C40 H64 Cu8 N32 O28 S16 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.075","0.0452","","","0.0975","0.1145","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020693","11.899","0.004","11.442","0.004","17.678","0.005","90","","102.04","0.03","90","","2353.9","1.3","260","2","260.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","μ-Aqua-(hexafluorosilicato)bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) acetonitrile hemisolvate dihydrate","","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C44 H78 Cu8 F24 N26 O12 S16 Si4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0633","0.0369","","","0.0828","0.0869","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020694","14.944","0.004","16.587","0.005","14.658","0.004","90","","117.91","0.03","90","","3210.7","1.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Benzenesulfonato-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) benzenesulfonate methanol monosolvate monohydrate","","- C23 H30 Cu2 N6 O8 S6 -","- C23 H30 Cu2 N6 O8 S6 -","- C92 H120 Cu8 N24 O32 S24 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","1.54184","CuKα","","0.0631","0.0573","","","0.1596","0.1661","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020695","11.4261","0.0005","8.1847","0.0003","16.8243","0.0006","90","","93.067","0.002","90","","1571.14","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-11-methyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","2","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0299","0.0289","","","0.0781","0.0788","","","","","","1.046","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020696","18.1021","0.0012","12.4436","0.0008","14.8429","0.0009","90","","97.645","0.003","90","","3313.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-7,12-dimethyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C20 H21 N O S -","- C20 H21 N O S -","- C160 H168 N8 O8 S8 -","8","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0957","0.0601","","","0.1438","0.168","","","","","","1.047","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020697","6.8533","0.0016","10.612","0.005","13.561","0.003","72.45","0.04","75.84","0.019","82.46","0.02","910","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-13-ethyl-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate","","- C22 H20 Cl N O3 -","- C22 H20 Cl N O3 -","- C44 H40 Cl2 N2 O6 -","2","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.1365","0.0651","","","0.0973","0.1181","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","191423","2020-10-21","18:00:00",""
"2020698","39.3876","0.0019","9.6153","0.0008","29.5299","0.0016","90","","130.719","0.007","90","","8476.3","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[carbonylruthenium(II)]-μ-2,7,12,17-tetrakis[2-(ethoxycarbonyl)ethyl]-3,8,13,18-tetramethylporphyrinato-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''':<i>O</i>]","","- C45 H52 N4 O9 Ru -","- C45 H52 N4 O9 Ru -","- C360 H416 N32 O72 Ru8 -","8","1","FA3396","Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study","Acta Crystallographica Section C","2017","73","1","47","51","10.1107/S2053229616019422","powder diffraction","","0.399927","synchrotron","","","","","","","","","","3.0929","","","","","","","has coordinates,has Fobs","191422","2020-10-21","18:00:00",""
"2020699","6.545","0.0004","9.3526","0.0006","12.782","0.0008","94.047","0.005","93.143","0.005","95.735","0.005","775.05","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[(3,4-Dimethoxyphenyl)carbamothioyl]benzamide","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C32 H32 N4 O6 S2 -","2","1","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.109","0.0709","","","0.1693","0.2094","","","","","","1.039","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020700","22.415","0.0017","8.1479","0.0005","13.4592","0.0009","90","","102.618","0.007","90","","2398.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(2-Hydroxypropyl)carbamothioyl]benzamide","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C88 H112 N16 O16 S8 -","8","2","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.1103","0.0657","","","0.1783","0.22","","","","","","1.037","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020701","8.437","0.0002","23.5403","0.0004","10.3281","0.0002","90","","98.1871","0.0007","90","","2030.35","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-[(Butylamino)(diethoxyphosphoryl)methyl]phenyl}boronic acid monohydrate","","- C15 H29 B N O6 P -","- C15 H29 B N O6 P -","- C60 H116 B4 N4 O24 P4 -","4","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.0733","0.067","","","0.1646","0.1715","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020702","10.259","0.0008","14.5721","0.0014","27.577","0.003","90","","90","","90","","4122.6","0.7","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4-[(Diethoxyphosphoryl)(4-nitroanilino)methyl]phenyl}boronic acid","","- C17 H22 B N2 O7 P -","- C17 H22 B N2 O7 P -","- C136 H176 B8 N16 O56 P8 -","8","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.117","0.0599","","","0.1424","0.1968","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020703","18.7651","0.001","6.9193","0.0004","17.259","0.001","90","","90","","90","","2240.9","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(<i>E</i>)-2,6-Di-<i>tert</i>-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C84 H104 N16 O20 -","4","0.5","","Faizi, Md. Serajul Haque; Dege, Necmi; Haque, Ashanul; Kalibabchuk, Valentina A.; Cemberci, Mustafa","Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E Crystallographic Communications","2017","73","2","96","","10.1107/S2056989016020107","","","0.71073","MoKα","","0.1842","0.0712","","","0.1633","0.2146","","","","","","0.963","","","","has coordinates,has Fobs","189993","2020-10-21","18:00:00",""
"2020704","29.525","0.002","4.94","0.0008","25.663","0.0011","90","","117.225","0.001","90","","3328.4","0.6","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{2,3,7,8,12,13,17,18-Octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","","- C38 H47 N5 Pd -","- C38 H47 N5 Pd -","- C152 H188 N20 Pd4 -","4","0.5","CU3109","Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A.","Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","Acta Crystallographica Section C","2017","73","2","68","71","10.1107/S2053229616020465","","","1.54186","CuKα","","0.0835","0.0632","","","0.1662","0.1828","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2020705","9.4371","0.0011","18.909","0.002","14.4981","0.0015","90","","104.162","0.002","90","","2508.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~5~-1,1'-biphenyl-2,2',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dizinc(II)]","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C112 H64 N16 O32 Zn8 -","4","0.5","EG3213","Su, Feng; Lu, Liping; Zhou, Chengyong; Wang, Xiaoxia; Sun, Long; Han, Chun","A three-dimensional Zn^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting photoluminescence","Acta Crystallographica Section C","2017","73","2","72","77","10.1107/S2053229617000213","","","0.71073","MoKα","","0.0498","0.0347","","","0.0868","0.0952","","","","","","1.003","","","","has coordinates,has Fobs","193977","2020-10-21","18:00:00",""
"2020706","12.8212","0.0005","10.5085","0.0004","10.6608","0.0005","90","","90","","90","","1436.35","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-Hydroxybenzoyl)carbonohydrazonodithioate","","- C12 H16 N2 O2 S2 -","- C12 H16 N2 O2 S2 -","- C48 H64 N8 O8 S8 -","4","1","FN3226","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0293","0.0291","","","0.0809","0.0814","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","193974","2020-10-21","18:00:00",""
"2020707","13.2762","0.0002","12.6138","0.0002","10.1742","0.0002","90","","108.597","0.0009","90","","1614.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Benzyl methyl (2-hydroxybenzoyl)carbonohydrazonodithioate","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0366","0.0354","","","0.102","0.1043","","","","","","1.051","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020708","8.795","0.0018","10.254","0.002","14.044","0.003","74.95","0.03","76.74","0.03","88.99","0.03","1189.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dibenzyl (2-hydroxybenzoyl)carbonohydrazonodithioate propan-2-ol monosolvate","","- C25 H28 N2 O3 S2 -","- C25 H28 N2 O3 S2 -","- C50 H56 N4 O6 S4 -","2","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0339","0.0334","","","0.1272","0.1277","","","","","","1.756","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020709","9.491","0.0012","18.7233","0.0013","11.9855","0.0017","90","","101.315","0.003","90","","2088.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-methylisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]","","- C22 H26 N4 O4 Zn -","- C22 H26 N4 O4 Zn -","- C88 H104 N16 O16 Zn4 -","4","1","FM3047","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.0635","0.0533","","","0.1023","0.1035","","","","","","1.043","","","","has coordinates","193976","2020-10-21","18:00:00",""
"2020710","11.1005","0.0017","17.486","0.003","16.372","0.002","90","","95.625","0.002","90","","3162.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-methylisophthalato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)dizinc(II)]","","- C31 H32 N4 O8 Zn2 -","- C31 H32 N4 O8 Zn2 -","- C124 H128 N16 O32 Zn8 -","4","1","","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.063","0.0343","","","0.0742","0.0862","","","","","","1.003","","","","has coordinates,has disorder","193976","2020-10-21","18:00:00",""
"2020711","9.3964","0.0001","9.3964","0.0001","9.3964","0.0001","90","","90","","90","","829.63","0.015","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","ammonium hexafluoroaluminate","ammonium heptafluorohafnate","","- F7 H12 Hf N3 -","- F6.9984 H11.9976 Hf N3 -","- F27.9936 H47.9904 Hf4 N12 -","4","0.0208333","","Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.","Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~","Acta Crystallographica Section B","2017","73","1","1","9","10.1107/S2052520616017534","","","0.71073","MoKα","","0.009","0.009","","","0.0187","0.0187","","","","","","1.193","","","","has coordinates,has Fobs","191417","2020-10-21","18:00:00",""
"2020712","9.2327","0.0001","9.2327","0.0001","9.2327","0.0001","90","","90","","90","","787.021","0.015","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","pentafluorooxotitanium","pentafluorooxotitanium","","- F5 H12 N3 O2 Ti -","- F4.9992 H11.9976 N3 O1.9992 Ti -","- F19.9968 H47.9904 N12 O7.9968 Ti4 -","4","0.0208333","","Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.","Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~","Acta Crystallographica Section B","2017","73","1","1","9","10.1107/S2052520616017534","","","0.71073","MoKα","","0.014","0.014","","","0.04","0.04","","","","","","1.032","","","","has coordinates,has Fobs","191417","2020-10-21","18:00:00",""
"2020713","10.174","0.002","12.538","0.003","13.665","0.003","63.45","0.03","77.06","0.03","73.02","0.03","1482.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}copper(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","","- C28 H28 Cu N10 O7 -","- C28 H28 Cu N10 O7 -","- C56 H56 Cu2 N20 O14 -","2","1","","Li, Jian-Hua; Zhu, Meng-Di; Huang, Qiu-Ying","A new one-dimensional Cu^II^ complex with a three-dimensional supramolecular architecture incorporating benzene-1,3-dicarboxylate and 1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2017","73","2","91","96","10.1107/S2053229617000997","","","0.71073","MoKα","","0.0789","0.0598","","","0.1352","0.148","","","","","","1.033","","","","has coordinates,has Fobs","193973","2020-10-21","18:00:00",""
"2020715","17.4366","0.0004","22.7127","0.0005","8.8598","0.0002","90","","90","","90","","3508.77","0.14","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-Benzyl-<i>P</i>-phenyl-<i>N</i>'-(<i>p</i>-tolyl)phosphonic diamide","","- C20 H21 N2 O P -","- C20 H21 N2 O P -","- C160 H168 N16 O8 P8 -","8","2","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0425","0.0355","","","0.084","0.0885","","","","","","1.025","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020716","18.7952","0.0003","18.7952","0.0003","8.5279","0.0003","90","","90","","90","","3012.56","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Diphenylphosphinic 1-methylpropylamide","","- C16 H20 N O P -","- C16 H20 N O P -","- C128 H160 N8 O8 P8 -","8","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0588","0.0543","","","0.1412","0.1462","","","","","","1.091","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020717","5.3629","0.0001","13.726","0.0003","27.8653","0.0006","90","","90","","90","","2051.2","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Phenylethylammonium <i>N</i>-[(<i>S</i>)-1-phenylethyl]phenylphosphonamidate","","- C22 H27 N2 O2 P -","- C22 H27 N2 O2 P -","- C88 H108 N8 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0336","0.0305","","","0.0743","0.0764","","","","","","1.045","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020718","6.0483","0.0001","18.854","0.0005","15.4364","0.0005","90","","97.231","0.001","90","","1746.28","0.08","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylbenzyl ammonium diphenylphosphinate","(4-Methylbenzyl)ammonium diphenylphosphinate","","- C20 H22 N O2 P -","- C20 H22 N O2 P -","- C80 H88 N4 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0592","0.0413","","","0.0905","0.1007","","","","","","1.084","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020719","13.0725","0.0007","12.3992","0.0006","30.0047","0.0016","90","","99.734","0.005","90","","4793.4","0.4","99.97","0.18","99.97","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphosphane-κ<i>P</i>)[<i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(I) hexafluorophosphate","","- C54 H45 Cu F6 N5 P3 -","- C54 H45 Cu F6 N5 P3 -","- C216 H180 Cu4 F24 N20 P12 -","4","1","WQ3130","Báez-Castro, Alberto; Baldenebro-López, Jesús; Ceballos-Mendivil, Laura; Román-Bravo, Perla P.; Höpfl, Herbert; Miranda-Soto, Valentín; Glossman-Mitnik, Daniel; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.","Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)‒triphenylphosphane complex based on <i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617002522","","","0.71073","MoKα","","0.0628","0.0498","","","0.1174","0.1272","","","","","","1.038","","","","has coordinates,has Fobs","192430","2020-10-21","18:00:00",""
"2020720","19.7282","0.0006","9.7644","0.0003","20.7157","0.0007","90","","90","","90","","3990.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 F4 N3 O2 S -","- C21 H19 F4 N3 O2 S -","- C168 H152 F32 N24 O16 S8 -","8","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0987","0.0581","","","0.1592","0.2102","","","","","","1.117","","","","has coordinates,has Fobs","192748","2020-10-21","18:00:00",""
"2020721","5.4468","0.0002","11.4102","0.0004","34.3009","0.0009","90","","90","","90","","2131.77","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 Cl F3 N3 O2 S -","- C21 H19 Cl F3 N3 O2 S -","- C84 H76 Cl4 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0649","0.0392","","","0.0812","0.0931","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","192748","2020-10-21","18:00:00",""
"2020722","13.8408","0.001","8.7145","0.0006","18.0898","0.0013","90","","106.47","0.002","90","","2092.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(3-methylphenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C22 H22 F3 N3 O2 S -","- C22 H22 F3 N3 O2 S -","- C88 H88 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0809","0.0437","","","0.0945","0.1118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","211400","2020-10-21","18:00:00",""
"2020723","7.6678","0.0004","11.5007","0.0005","15.7874","0.0008","96.249","0.003","96.752","0.003","90.796","0.003","1373.84","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 F O -","- C19 H13 F O -","- C76 H52 F4 O4 -","4","2","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1211","0.0548","","","0.1353","0.1821","","","","","","1.055","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020724","5.8714","0.0005","7.8616","0.0007","15.5954","0.0013","95.007","0.005","90.218","0.005","92.179","0.005","716.58","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Bromophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 Br O -","- C19 H13 Br O -","- C38 H26 Br2 O2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1039","0.0489","","","0.0705","0.0822","","","","","","1.051","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020725","5.8271","0.0003","7.4489","0.0004","15.2068","0.0009","79.745","0.003","84.427","0.003","85.763","0.003","645.36","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(Naphthalen-2-yl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C17 H12 O S -","- C17 H12 O S -","- C34 H24 O2 S2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.0727","0.0575","","","0.1322","0.1404","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","193921","2020-10-21","18:00:00",""
"2020726","7.7669","0.0006","9.1516","0.0006","12.4114","0.0009","99.665","0.003","104.29","0.003","93.968","0.003","837.1","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Cobalt complex, 1","Tetrakis(acetonitrile-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II) bis[(acetonitrile-κ<i>N</i>)trichloridocobaltate(II)]","","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","1","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0277","0.0214","","","0.0506","0.0528","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","193922","2020-10-21","18:00:00",""
"2020727","16.5619","0.0009","9.4778","0.0005","15.6842","0.0009","90","","116.411","0.002","90","","2205","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cobalt complex 2","<i>catena</i>-Poly[[tetrakis(propan-2-ol-κ<i>O</i>)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido]","","- C12 H32 Cl4 Co2 O4 -","- C12 H32 Cl4 Co2 O4 -","- C48 H128 Cl16 Co8 O16 -","4","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0349","0.0266","","","0.07","0.073","","","","","","1.078","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020728","14.733","0.003","9.6318","0.0017","15.993","0.004","90","","93.737","0.008","90","","2264.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cobalt complex 3","Di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-2κ^2^<i>Cl</i>-tetrakis(tetrahydrofuran-1κ<i>O</i>)dicobalt(II)","","- C16 H32 Cl4 Co2 O4 -","- C16 H32 Cl4 Co2 O4 -","- C64 H128 Cl16 Co8 O16 -","4","1","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.1222","0.058","","","0.1182","0.1328","","","","","","0.936","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020729","10.9626","0.0005","10.2601","0.0004","8.7673","0.0004","90","","91.421","0.002","90","","985.82","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethylenediaminium 2,2'-thiodiacetate","","- C6 H14 N2 O4 S -","- C6 H14 N2 O4 S -","- C24 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0311","0.0262","","","0.0655","0.0705","","","","","","1.057","","","","has coordinates,has Fobs","193923","2020-10-21","18:00:00",""
"2020730","4.9006","0.0004","12.9808","0.001","18.9837","0.0015","90","","92.978","0.008","90","","1205.99","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 2-(carboxymethylsulfanyl)acetate","","- C10 H14 N2 O4 S -","- C10 H14 N2 O4 S -","- C40 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0889","0.0457","","","0.0808","0.0992","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","193923","2020-10-21","18:00:00",""
"2020731","14.1632","0.0004","14.1632","0.0004","14.1632","0.0004","90","","90","","90","","2841.08","0.14","200","2","200","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cd23 Ce6 Te -","- Cd23 Ce6 Te -","- Cd92 Ce24 Te4 -","4","0.0208333","FN3229","Desroches, Griffen; Bobev, Svilen","Synthesis and structure determination of Ce~6~Cd~23~Te: a new chalcogen-containing member of the <i>RE</i>~6~Cd~23~T family (<i>RE</i> is a rare-earth metal and T is a late group 14, 15 and 16 element)","Acta Crystallographica Section C","2017","73","2","121","125","10.1107/S2053229617001243","","","0.71073","MoKα","","0.0214","0.0189","","","0.0417","0.0423","","","","","","1.164","","","","has coordinates,has Fobs","193924","2020-10-21","18:00:00",""
"2020732","12.98","0.003","12.98","0.003","29.734","0.006","90","","90","","90","","5009.6","1.9","293","","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione toluene hemisolvate","","- C25.5 H28 N2 O7 S -","- C25.5 H28 N2 O7 S -","- C204 H224 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1815","0.0985","","","0.1824","0.2244","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020733","13.171","0.003","13.171","0.003","29.524","0.006","90","","90","","90","","5122","2","293.15","","293.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione dichloromethane monosolvate","","- C23 H26 Cl2 N2 O7 S -","- C23 H26 Cl2 N2 O7 S -","- C184 H208 Cl16 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1072","0.0571","","","0.1132","0.1347","","","","","","0.998","","","","has coordinates,has Fobs","194035","2020-10-21","18:00:00",""
"2020734","13.0307","0.0018","13.0307","0.0018","29.754","0.006","90","","90","","90","","5052.2","1.4","293.15","","293.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione ethyl acetate hemisolvate","","- C24 H28 N2 O8 S -","- C24 H28 N2 O8 S -","- C192 H224 N16 O64 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.104","0.0576","","","0.1208","0.1431","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020735","11.756","0.002","11.764","0.002","17.407","0.004","90","","90","","90","","2407.3","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}dibromidomercury(II)","","- C20 H18 Br2 Hg N10 -","- C20 H18 Br2 Hg N10 -","- C80 H72 Br8 Hg4 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0557","0.0421","","","0.0803","0.0858","","","","","","1.178","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020736","12.103","0.002","11.827","0.002","17.862","0.004","90","","90","","90","","2556.8","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}diiodidomercury(II)","","- C20 H18 Hg I2 N10 -","- C20 H18 Hg I2 N10 -","- C80 H72 Hg4 I8 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0526","0.048","","","0.0842","0.0862","","","","","","1.28","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020737","8.3617","0.0008","8.7261","0.0008","8.859","0.0008","104.451","0.001","94.187","0.001","112.344","0.001","568.69","0.09","215","2","215","2","","","","","","","","4","P 1","P 1","1","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C30 H18 N4 S -","1","1","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0385","0.0367","","","0.0947","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","196536","2020-10-21","18:00:00",""
"2020738","28.338","0.003","12.9466","0.0012","26.799","0.003","90","","113.336","0.001","90","","9027.8","1.6","215","2","215","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole 0.125-hydrate","","- C30 H18.25 N4 O0.12 S -","- C30 H18.25 N4 O0.125 S -","- C480 H292 N64 O2 S16 -","16","2","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0599","0.0479","","","0.1239","0.1332","","","","","","1.018","","","","has coordinates","196536","2020-10-21","18:00:00",""
"2020739","8.5376","0.0004","15.22","0.001","12.1214","0.0006","90","","96.195","0.006","90","","1565.88","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-cyanopyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)iron(II) 4-cyanopyridine disolvate","","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","- C52 H40 Fe2 N20 O4 S4 -","2","0.5","WM5371","Jochim, Aleksej; Jess, Inke; Näther, Christian","Crystal structure of diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate","Acta Crystallographica Section E Crystallographic Communications","2017","73","4","463","","10.1107/S205698901700322X","","","0.71073","MoKα","","0.0511","0.0373","","","0.088","0.0936","","","","","","1.034","","","","has coordinates,has Fobs","194089","2020-10-21","18:00:00",""
"2020740","16.6534","0.0008","7.4129","0.0003","7.6073","0.0004","90","","97.795","0.004","90","","930.44","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-aminophenylarsonic acid hydrochloride","4-Arsonoanilinium chloride","","- C6 H9 As Cl N O3 -","- C6 H9 As Cl N O3 -","- C24 H36 As4 Cl4 N4 O12 -","4","1","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0342","0.0283","","","0.0655","0.0684","","","","","","1.057","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020741","15.0784","0.0006","11.2302","0.0004","8.6756","0.0004","90","","99.305","0.004","90","","1449.74","0.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","copper(II) sulfate <i>p</i>-arsanilate dihydrate","Hexaaquacopper(II) bis(4-arsonoanilinium) disulfate dihydrate","","- C12 H34 As2 Cu N2 O22 S2 -","- C12 H34 As2 Cu N2 O22 S2 -","- C24 H68 As4 Cu2 N4 O44 S4 -","2","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0334","0.0274","","","0.063","0.0658","","","","","","1.054","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020742","7.6315","0.0004","7.1244","0.0004","38.0925","0.0015","90","","90","","90","","2071.08","0.18","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis(4-arsonoanilinium) tetrachlorocuprate(II)","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]","","- C12 H18 As2 Cl4 Cu N2 O6 -","- C12 H18 As2 Cl4 Cu N2 O6 -","- C48 H72 As8 Cl16 Cu4 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0428","0.0342","","","0.0842","0.0897","","","","","","1.13","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020743","7.5525","0.0004","7.2578","0.0003","38.5872","0.0017","90","","90","","90","","2115.14","0.17","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","catena-[bis(4-arsonoanilinium) tetrachlorocadmate]","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cadmate(II)]]","","- C12 H18 As2 Cd Cl4 N2 O6 -","- C12 H18 As2 Cd Cl4 N2 O6 -","- C48 H72 As8 Cd4 Cl16 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0397","0.0319","","","0.0664","0.0701","","","","","","1.109","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020744","9.7681","0.0007","10.5358","0.0007","10.574","0.0008","90","","114.134","0.004","90","","993.1","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","AO5019","Sirohiwal, Abhishek; Hathwar, Venkatesha R.; Dey, Dhananjay; Regunathan, Roshni; Chopra, Deepak","Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","2","","","10.1107/S2052520616017492","","","0.71073","MoKα","","0.0869","0.0564","","","0.1436","0.1609","","","","","","1.112","","","","has coordinates,has Fobs","194250","2020-10-21","18:00:00",""
"2020745","4.7874","0.0004","8.2086","0.0006","27.2894","0.0018","90","","92.803","0.004","90","","1071.13","0.14","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium chloride","","- C9 H10 Cl F4 N O -","- C9 H10 Cl F4 N O -","- C36 H40 Cl4 F16 N4 O4 -","4","1","KU3194","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0401","0.0308","","","0.0674","0.0713","","","","","","1.051","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020746","4.7977","0.0003","8.3123","0.0006","27.739","0.002","90","","92.646","0.003","90","","1105.05","0.13","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium bromide","","- C9 H10 Br F4 N O -","- C9 H10 Br F4 N O -","- C36 H40 Br4 F16 N4 O4 -","4","1","","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0269","0.0209","","","0.0449","0.0469","","","","","","1.034","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020747","4.717","0.0007","4.717","0.0007","17.077","0.003","90","","90","","120","","329.06","0.09","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nonalithium tetraaluminium pentastannide","","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","1","0.0833333","","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut","Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700420X","","","0.71073","MoKα","","0.0243","0.0205","","","0.0644","0.0663","","","","","","1.103","","","","has coordinates,has Fobs","194406","2020-10-21","18:00:00",""
"2020748","15.008","0.003","11.798","0.003","9.0384","0.0019","90","","106.756","0.002","90","","1532.4","0.6","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonylchlorido[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C15 H8 Cl Mn N2 O3 S -","- C15 H8 Cl Mn N2 O3 S -","- C60 H32 Cl4 Mn4 N8 O12 S4 -","4","1","SK3653","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.1304","0.0652","","","0.1625","0.1962","","","","","","1.039","","","","has coordinates,has Fobs","194472","2020-10-21","18:00:00",""
"2020749","9.1239","0.0005","16.4292","0.0009","12.2101","0.0006","90","","96.737","0.001","90","","1817.64","0.17","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonylchlorido[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C19 H10 Cl Mn N2 O3 S -","- C19 H10 Cl Mn N2 O3 S -","- C76 H40 Cl4 Mn4 N8 O12 S4 -","4","1","","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.0597","0.0383","","","0.0829","0.0932","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","194472","2020-10-21","18:00:00",""
"2020757","8.2864","0.0008","17.0679","0.0016","13.9733","0.0014","90","","90.735","0.004","90","","1976.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)cobalt(II) chloride dihydrate","","- C14 H36 Cl2 Co N4 O2 -","- C14 H36 Cl2 Co N4 O2 -","- C56 H144 Cl8 Co4 N16 O8 -","4","1","YP3138","Van Heuvelen, Katherine M.; Lee, Isabell; Arriola, Katherine; Griffin, Rilke; Ye, Christopher; Takase, Michael K.","Crystal structure and spectroscopic characterization of a cobalt(II) tetraazamacrocycle: completing a series of first-row transition-metal complexes","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010397","","","0.71073","MoKα","","0.0498","0.0321","","","0.061","0.0655","","","","","","1.037","","","","has coordinates,has Fobs","198885","2020-10-21","18:00:00",""
"2020758","6.5592","0.0001","9.1328","0.0002","13.7163","0.0003","90","","93.9","0.002","90","","819.76","0.03","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-bis[(<i>R</i>)-mandelato]borato-lithium(I)] monohydrate]","","- C16 H14 B Li O7 -","- C16 H14 B Li O7 -","- C32 H28 B2 Li2 O14 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0311","0.0304","","","0.0812","0.0819","","","","","","1.063","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020759","7.49015","0.00016","8.24219","0.00013","13.275","0.0003","90","","92.8753","0.0019","90","","818.5","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium bis[(<i>R</i>)-mandelato]borate","","- C16 H16 B N O6 -","- C16 H16 B N O6 -","- C32 H32 B2 N2 O12 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0277","0.0262","","","0.0644","0.0654","","","","","","1.041","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020760","9.0372","0.0006","15.5934","0.0006","44.5357","0.0011","90","","90","","90","","6276","0.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetra-<i>n</i>-butylammonium bis[(<i>R</i>)-mandelato]borate","","- C32 H48 B N O6 -","- C32 H48 B N O6 -","- C256 H384 B8 N8 O48 -","8","2","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0385","0.0318","","","0.066","0.0676","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","198914","2020-10-21","18:00:00",""
"2020761","9.0673","0.0012","10.1144","0.0014","11.7417","0.0014","69.013","0.005","77.791","0.005","81.901","0.005","980.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bromidobis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bromide","","- C16 H20 Br2 Cu N4 O2 -","- C16 H20 Br2 Cu N4 O2 -","- C32 H40 Br4 Cu2 N8 O4 -","2","1","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0462","0.034","","","0.0864","0.0908","","","","","","1.067","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020762","13.3089","0.0002","8.4494","0.0001","18.535","0.0003","90","","90","","90","","2084.3","0.05","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) dinitrate","","- C16 H22 Cu N6 O9 -","- C16 H22 Cu N6 O9 -","- C64 H88 Cu4 N24 O36 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0416","0.0356","","","0.109","0.1128","","","","","","1.109","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020763","18.7332","0.0004","8.2315","0.0002","15.7876","0.0003","90","","109.1","0.001","90","","2300.46","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bis(perchlorate)","","- C16 H22 Cl2 Cu N4 O11 -","- C16 H22 Cl2 Cu N4 O10.994 -","- C64 H88 Cl8 Cu4 N16 O43.976 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0447","0.0405","","","0.1224","0.1253","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","199064","2020-10-21","18:00:00",""
"2020764","19.951","0.003","11.7885","0.0018","20.891","0.004","90","","105.625","0.003","90","","4731.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L-9 (H2SO4)","Tris(4-carboxypyridinium) hydrogensulfate sulfate monohydrate","","- C18 H21 N3 O15 S2 -","- C18 H21 N3 O15 S2 -","- C144 H168 N24 O120 S16 -","8","1","YF3121","Truong, Khai-Nghi; Lothmann, Niklas; Englert, Ulli","A whole zoo of hydrogen bonds in one crystal structure: tris(isonicotinium) hydrogensulfate sulfate monohydrate","Acta Crystallographica Section C","2017","73","7","525","530","10.1107/S2053229617008269","","","0.71073","MoKα","","0.0622","0.0464","","","0.1071","0.1162","","","","","","1.033","","","","has coordinates,has Fobs","199065","2020-10-21","18:00:00",""
"2020765","7.1403","0.0004","8.6745","0.0006","11.573","0.0007","93.721","0.005","93.714","0.004","104.23","0.005","690.94","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium 2-carboxy-3-nitrobenzoate","","- C12 H10 Cl N5 O6 -","- C12 H10 Cl N5 O6 -","- C24 H20 Cl2 N10 O12 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","0.71073","MoKα","","0.0746","0.0459","","","0.1062","0.1275","","","","","","1.082","","","","has coordinates,has Fobs","199066","2020-10-21","18:00:00",""
"2020766","6.54","0.0003","7.2557","0.0004","15.7696","0.0009","81.617","0.005","89.511","0.004","74.154","0.005","711.79","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium <i>p</i>-toluenesulfonate","","- C11 H15 Cl N4 O4 S -","- C11 H15 Cl N4 O4 S -","- C22 H30 Cl2 N8 O8 S2 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","1.54184","CuKα","","0.0368","0.036","","","0.0995","0.1003","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","199066","2020-10-21","18:00:00",""
"2020767","13.6345","0.0015","6.9015","0.0007","12.6905","0.0014","90","","105.429","0.004","90","","1151.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluorouracil‒4-methylbenzoic acid (1/1)","","- C12 H11 F N2 O4 -","- C12 H11 F N2 O4 -","- C48 H44 F4 N8 O16 -","4","1","OV3081","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.078","0.0476","","","0.1078","0.1204","","","","","","1.047","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020768","5.9011","0.0012","9.795","0.002","11.674","0.002","110.76","0.03","91.84","0.03","99.59","0.03","619.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Fluorouracil‒3-nitrobenzoic acid (1/1)","","- C11 H8 F N3 O6 -","- C11 H8 F N3 O6 -","- C22 H16 F2 N6 O12 -","2","1","","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.0756","0.0658","","","0.1813","0.2045","","","","","","1.038","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020769","8.386","0.0009","9.1422","0.0009","12.9405","0.0014","69.526","0.004","87.16","0.004","76.788","0.004","904.33","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')manganese(II) diacetate","","- C10 H30 Mn N6 O4 -","- C10 H30 Mn N6 O4 -","- C20 H60 Mn2 N12 O8 -","2","1","YP3135","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0269","0.0231","","","0.057","0.0596","","","","","","1.051","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020770","8.3426","0.0009","9.1332","0.001","12.8165","0.0014","70.423","0.005","86.074","0.004","75.628","0.005","891.19","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II) diacetate","","- C10 H30 Fe N6 O4 -","- C10 H30 Fe N6 O4 -","- C20 H60 Fe2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","1.54178","CuKα","","0.0365","0.0315","","","0.0767","0.0798","","","","","","1.037","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020771","8.3029","0.0008","9.1295","0.001","12.7175","0.0013","71.021","0.004","85.776","0.004","75.146","0.004","881.08","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) diacetate","","- C10 H30 Co N6 O4 -","- C10 H30 Co N6 O4 -","- C20 H60 Co2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0284","0.0226","","","0.0531","0.0559","","","","","","1.08","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020772","8.2974","0.0011","9.0619","0.0011","12.5998","0.0017","71.96","0.004","85.204","0.005","74.321","0.004","867.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diacetate","","- C10 H30 N6 Ni O4 -","- C10 H30 N6 Ni O4 -","- C20 H60 N12 Ni2 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0214","0.0194","","","0.0478","0.0491","","","","","","1.074","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020773","8.2953","0.0008","8.9144","0.0008","12.7148","0.0012","75.244","0.004","85.082","0.004","71.226","0.004","860.84","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diacetate","","- C10 H30 Cu N6 O4 -","- C10 H30 Cu N6 O4 -","- C20 H60 Cu2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0296","0.0245","","","0.0626","0.0653","","","","","","1.029","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020774","8.3223","0.0005","9.1059","0.0005","12.7492","0.0007","70.855","0.002","85.8","0.002","75.434","0.002","883.34","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) diacetate","","- C10 H30 N6 O4 Zn -","- C10 H30 N6 O4 Zn -","- C20 H60 N12 O8 Zn2 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0217","0.0195","","","0.0502","0.0514","","","","","","1.084","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020775","9.2595","0.0004","10.2711","0.0003","16.0049","0.0005","96.056","0.003","92.679","0.003","115.714","0.004","1356.47","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)magnesium(II)]bis[μ-<i>N</i>-(3-carboxyphenyl)-<i>N</i>'-(3-carboxylatophenyl)naphthalene-1,8:4,5-tetracarboximide-κ^2^<i>O</i>:<i>O</i>']]","","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","1","0.5","YF3120","Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang","Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand","Acta Crystallographica Section C","2017","73","6","437","441","10.1107/S2053229617006544","","","0.71073","MoKα","","0.0747","0.0495","","","0.1219","0.1325","","","","","","1.045","","","","has coordinates,has Fobs","199069","2020-10-21","18:00:00",""
"2020776","11.0638","0.0002","14.0258","0.0004","20.8917","0.0006","90","","101.59","0.001","90","","3175.84","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({2-methoxy-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]aniline-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C124 H116 Cl4 Co4 N12 O36 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0631","0.0397","","","0.0938","0.1037","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","199070","2020-10-21","18:00:00",""
"2020777","13.0021","0.0002","12.8075","0.0003","19.8373","0.0004","90","","93.008","0.001","90","","3298.84","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]quinolin-8-amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C132 H112 Cl4 Co4 N16 O32 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0526","0.0414","","","0.1027","0.1092","","","","","","1.088","","","","has coordinates,has Fobs","199070","2020-10-21","18:00:00",""
"2020778","33.1506","0.0012","33.1506","0.0012","16.6829","0.0014","90","","90","","90","","18333.9","1.8","293","2","293.15","","","","","","","","","5","I 41/a","-I 4ad","88","","Poly[triaquadi-μ~3~-hydroxido-hexakis(μ~4~-2-methylbiphenyl-4,4'-dicarboxylato)calcium(II)hexazinc(II)]","","- C90 H68 Ca O29 Zn6 -","- C90 H68 Ca O29 Zn6 -","- C720 H544 Ca8 O232 Zn48 -","8","","FN3233","Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu","A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid","Acta Crystallographica Section C","2017","73","6","470","475","10.1107/S2053229617006829","","","0.71073","MoKα","","0.1093","0.0564","","","0.1343","0.1589","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","199071","2020-10-21","18:00:00",""
"2020779","8.3665","0.0004","23.1277","0.0011","13.5984","0.0007","90","","98.221","0.001","90","","2604.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-(μ~2~-pyridine-2,3-dicarboxylato-κ^2^<i>N</i>:<i>O</i>^3^)-silver(I)-tris(μ~2~-5-methyl-1,3,4-thiodiazol-2-amine-κ^2^<i>N</i>:<i>N</i>')] monohydrate ethanol monosolvate]","","- C18 H26 Ag2 N10 O6 S3 -","- C16 H18 Ag2 N10 O4 S3 -","- C64 H72 Ag8 N40 O16 S12 -","4","1","LG3205","Fu, Wei-Wei; Li, Juan; Liu, Shu-Ting; Zhao, Dan; Zhou, Xue; Tong, Yang","A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate","Acta Crystallographica Section C","2017","73","6","498","502","10.1107/S2053229617007653","","","0.71073","MoKα","","0.0304","0.0269","","","0.0627","0.0646","","","","","","1.093","","","","has coordinates,has Fobs","199072","2020-10-21","18:00:00",""
"2020780","12.9134","0.0017","21.035","0.003","9.1946","0.0012","90","","93.696","0.002","90","","2492.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-2,3,4,5,6-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>']","","- C24 H10 Cd F10 N2 O5 -","- C24 H10 Cd F10 N2 O5 -","- C96 H40 Cd4 F40 N8 O20 -","4","1","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0438","0.0292","","","0.0695","0.0778","","","","","","1.024","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020781","21.402","0.005","11.711","0.002","10.955","0.002","90","","106.639","0.003","90","","2630.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>]","","- C24 H12 Cd F10 N2 O6 -","- C24 H12 Cd F10 N2 O6 -","- C96 H48 Cd4 F40 N8 O24 -","4","0.5","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0305","0.0274","","","0.0747","0.0769","","","","","","1.006","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020782","15.7523","0.0008","7.1201","0.0003","15.954","0.0008","90","","112.709","0.004","90","","1650.65","0.15","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[(<i>N</i>,<i>N</i>'-diethylethylenediamine-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-\ κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C10 H28 Cu N2 O8 -","- C10 H28 Cu N2 O8 -","- C40 H112 Cu4 N8 O32 -","4","1","WQ3133","Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim","A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis","Acta Crystallographica Section C","2017","73","7","517","524","10.1107/S2053229617008452","","","0.71073","MoKα","","0.0418","0.0295","","","0.0715","0.0749","","","","","","0.997","","","","has coordinates,has Fobs","199074","2020-10-21","18:00:00",""
"2020783","5.3048","0.0005","31.891","0.003","10.508","0.001","90","","98.184","0.003","90","","1759.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Naproxen‒picolinamide (1/1)","(<i>S</i>)-2-(6-Methoxynaphthalen-2-yl)propanoic acid‒\ pyridine-2-carboxamide (1/1)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","2","DF3001","Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic","Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal","Acta Crystallographica Section C","2017","73","3","168","175","10.1107/S2053229616011980","","","0.71073","MoKα","","0.1145","0.0575","","0.1025","0.082","0.082","","","","","","0.9443","","","","has coordinates,has Fobs","199075","2020-10-21","18:00:00",""
"2020784","7.1707","0.0002","22.8006","0.0006","13.8237","0.0004","90","","97.047","0.003","90","","2243.05","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dithianon‒pyrimethanil (1/1)","5,10-Dioxo-5<i>H</i>,10<i>H</i>-naphtho[2,3-<i>b</i>][1,4]dithiine-2,3-dicarbonitrile‒4,6-dimethyl-<i>N</i>-phenylpyrimidin-2-amine (1/1)","","- C26 H17 N5 O2 S2 -","- C26 H17 N5 O2 S2 -","- C104 H68 N20 O8 S8 -","4","1","DF3006","Pöppler, Ann-Christin; Corlett, Emily K.; Pearce, Harriet; Seymour, Mark P.; Reid, Matthew; Montgomery, Mark G.; Brown, Steven P.","Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil","Acta Crystallographica Section C","2017","73","3","149","156","10.1107/S2053229617000870","","","1.54184","CuKα","","0.0527","0.0449","","0.0935","0.0851","0.0935","","","","","","0.9756","","","","has coordinates,has Fobs","199076","2020-10-21","18:00:00",""
"2020785","19.513","0.003","19.513","0.003","17.613","0.004","90","","90","","90","","6706","2","294","2","294","2","","","","","","","","5","I 41/a","-I 4ad","88","Lamotriginium crotonate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium but-2-enoate","","- C13 H13 Cl2 N5 O2 -","- C13 H13 Cl2 N5 O2 -","- C208 H208 Cl32 N80 O32 -","16","","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.1072","0.0566","","","0.1477","0.1848","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","199077","2020-10-21","18:00:00",""
"2020786","7.9389","0.0004","12.2938","0.0009","12.3282","0.0008","61.781","0.007","79.379","0.005","72.313","0.005","1008.91","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium salicylate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-hydroxybenzoate ethanol monosolvate","","- C18 H19 Cl2 N5 O4 -","- C18 H19 Cl2 N5 O4 -","- C36 H38 Cl4 N10 O8 -","2","1","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.089","0.0561","","","0.1363","0.1678","","","","","","1.049","","","","has coordinates,has Fobs","199077","2020-10-21","18:00:00",""
"2020787","10.5376","0.0006","21.5025","0.0014","19.9462","0.0019","90","","99.079","0.007","90","","4462.9","0.6","273","2","273","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[9,9-Dimethyl-4,5-bis(diphenylphosphanyl)-9<i>H</i>-xanthene-κ^2^<i>P</i>,<i>P</i>](2-methylquinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)copper(I) hexafluorophosphate","","- C49 H41 Cu F6 N O2 P3 -","- C49 H41 Cu F6 N O2 P3 -","- C196 H164 Cu4 F24 N4 O8 P12 -","4","1","OV3091","Shou, Rong-Er; Song, Li; Chai, Wen-Xiang; Qin, Lai-Shun; Wang, Tian-Gen","A new phosphorescent heteroleptic cuprous complex with a neutral 2-methylquinolin-8-ol ligand: synthesis, structure characterization, properties and TD‒DFT calculations","Acta Crystallographica Section C","2017","73","6","486","491","10.1107/S2053229617007549","","","0.71073","MoKα","","0.1171","0.0643","","","0.1571","0.1983","","","","","","1.021","","","","has coordinates,has Fobs","199078","2020-10-21","18:00:00",""
"2020788","16.2592","0.0003","14.2078","0.0003","9.256","0.0002","90","","92.527","0.001","90","","2136.13","0.08","100","2","99.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{μ~3~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}bis{μ~2~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}tetracopper(II)","","- C44 H52 Cu4 N4 O12 -","- C44 H52 Cu4 N4 O12 -","- C88 H104 Cu8 N8 O24 -","2","0.5","LF3047","Gungor, Elif","A new stepped tetranuclear copper(II) complex: synthesis, crystal structure and photoluminescence properties","Acta Crystallographica Section C","2017","73","5","393","398","10.1107/S2053229617004946","","","0.71073","MoKα","","0.0864","0.051","","","0.112","0.1225","","","","","","1.206","","","","has coordinates,has disorder,has Fobs","199079","2020-10-21","18:00:00",""
"2020789","13.304","0.0011","5.1796","0.0004","19.6396","0.0018","90","","95.143","0.001","90","","1347.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","WQ3126","Su, Yan-Xiao; Zhang, Chao-Zhi; Song, Ming-Xia","Optical properties of (<i>Z</i>)-2-(2-phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one: a potential electron donor in organic solar cells","Acta Crystallographica Section C","2017","73","6","458","463","10.1107/S205322961700691X","","","0.71073","MoKα","","0.1373","0.0571","","","0.082","0.0937","","","","","","1.071","","","","has coordinates,has Fobs","199080","2020-10-21","18:00:00",""
"2020790","14.095","0.003","14.095","0.003","14.095","0.003","90","","90","","90","","2800.2","1","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoridovanadate(III)","","- C3 H18 F6 N9 V -","- C3 H18 F6 N9 V -","- C24 H144 F48 N72 V8 -","8","0.333333","YF3116","Black, Cameron; Lightfoot, Philip","Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite","Acta Crystallographica Section C","2017","73","3","244","246","10.1107/S2053229617001711","","","0.71075","MoKα","","0.0575","0.0455","","","0.1372","0.1607","","","","","","1.319","","","","has coordinates,has Fobs","199081","2020-10-21","18:00:00",""
"2020791","13.1813","0.0007","7.2661","0.0004","15.6283","0.0008","90","","96.933","0.003","90","","1485.88","0.14","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","2,2'-(Disulfanediylbis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl})diphenol","2-[5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-4-(2-{5-[(<i>E</i>)-(2-hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-1,3-thiazol-4-yl}disulfanyl)-1,3-thiazol-2-yl]phenol","","- C32 H22 N4 O4 S4 -","- C32 H22 N4 O4 S4 -","- C64 H44 N8 O8 S8 -","2","0.5","UK3134","Zarei, Seyed Amir; Piltan, Mohammad; Mashhun, Asmar; Rudbari, Hadi Amiri; Bruno, Giuseppe","2,2'-[(Disulfanediyl)bis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl}]diphenol: synthesis, crystal structure and calculation of molecular hyperpolarizability","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617008257","","","0.71073","MoKα","","0.0641","0.0413","","","0.1116","0.1296","","","","","","1.041","","","","has coordinates,has Fobs","199082","2020-10-21","18:00:00",""
"2020792","7.0975","0.0004","7.9093","0.0004","16.9976","0.001","86.16","0.002","83.141","0.002","66.564","0.002","869","0.08","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H14 F4 N2 O4 S -","- C16 H14 F4 N2 O4 S -","- C32 H28 F8 N4 O8 S2 -","2","1","CU3113","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0352","0.0303","","","0.0772","0.0807","","","","","","1.021","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020793","21.6747","0.0006","21.6747","0.0006","7.285","0.0003","90","","90","","90","","3422.44","0.19","100","0.2","100","0.2","","","","","","","","6","I -4","I -4","82","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H13 F5 N2 O4 S -","- C16 H13 F5 N2 O4 S -","- C128 H104 F40 N16 O32 S8 -","8","1","","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0255","0.0239","","","0.0577","0.0633","","","","","","1.088","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020794","5.0591","0.0003","16.7533","0.0009","23.5587","0.0013","90","","90","","90","","1996.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","KU3197","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0435","0.0404","","","0.1101","0.1323","","","","","","1.089","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020795","5.0827","0.0003","16.7903","0.0009","24.0532","0.0012","90","","90","","90","","2052.7","0.19","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0718","0.0665","","","0.1837","0.189","","","","","","1.052","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020796","8.1493","0.0004","8.5209","0.0005","34.4887","0.0014","90","","96.648","0.004","90","","2378.8","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-({(<i>E</i>)-[(<i>E</i>)-1-(Biphenyl-4-yl)ethylidene]hydrazinylidene}methyl)-1<i>H</i>-indole acetonitrile disolvate","","- C27 H25 N5 -","- C27 H25 N5 -","- C108 H100 N20 -","4","1","FN3235","Bu, Fan-Zhi; Tan, Xue-Jie; Xing, Dian-Xiang; Wang, Chao","Design, synthesis, crystal structure and <i>in vitro</i> cytotoxic properties of a novel Schiff base derived from indole and biphenyl","Acta Crystallographica Section C","2017","73","7","546","555","10.1107/S2053229617009044","","","0.71073","MoKα","","0.1066","0.0528","","","0.1271","0.1548","","","","","","1.021","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2020797","9.3324","0.0005","10.754","0.0007","12.2892","0.0007","90","","111.349","0.002","90","","1148.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","","- C24 H32 Cl2 O2 Sc2 -","- C24 H32 Cl2 O2 Sc2 -","- C48 H64 Cl4 O4 Sc4 -","2","0.5","YP3133","Zhou, Zheng; Greenough, Joshua; Wei, Zheng; Petrukhina, Marina A.","The dinuclear scandium(III) cyclooctatetraenyl chloride complex di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","Acta Crystallographica Section C","2017","73","5","420","423","10.1107/S2053229617005678","","","0.71073","MoKα","","0.0798","0.047","","","0.0733","0.0808","","","","","","1.041","","","","has coordinates,has Fobs","199086","2020-10-21","18:00:00",""
"2020798","8.4269","0.0006","12.4905","0.0008","15.1415","0.001","66.53","0.001","76.005","0.001","85.473","0.001","1418.22","0.17","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate benzene monosolvate","","- C33 H27 Br O6 -","- C33 H27 Br O6 -","- C66 H54 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0437","0.0337","","","0.0896","0.0956","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020799","8.3989","0.0005","12.5415","0.0007","15.2195","0.0008","67.408","0.001","76.135","0.001","85.458","0.001","1436.85","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate toluene monosolvate","","- C34 H29 Br O6 -","- C34 H29 Br O6 -","- C68 H58 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0452","0.0373","","","0.1034","0.1096","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020800","8.2587","0.0006","12.7841","0.0009","15.6238","0.0011","66.446","0.001","76.634","0.001","86.03","0.001","1470.67","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate xylene monosolvate","","- C35 H31 Br O6 -","- C35 H31 Br O6 -","- C70 H62 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0594","0.0417","","","0.1048","0.1129","","","","","","1.143","","","","has coordinates,has Fobs","199089","2020-10-21","18:00:00",""
"2020801","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","1","0.5","FN3236","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.0114","0.0114","","","0.0282","0.0282","","","","","","1.133","","","","has coordinates,has Fobs","199090","2020-10-21","18:00:00",""
"2020802","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","1","0.5","","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.017","0.017","","","0.0399","0.0399","","","","","","1.267","","","","has coordinates","199090","2020-10-21","18:00:00",""
"2020803","9.1605","0.0003","13.8069","0.0005","16.8625","0.0007","90","","90","","90","","2132.74","0.14","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-6-Acetoxy-4,9,10-trihydroxy-2,2,5a,9-tetramethyloctahydro-2<i>H</i>-3,9a-methanobenzo[<i>b</i>]oxepin-5-yl furan-3-carboxylate","","- C22 H30 O9 -","- C22 H30 O9 -","- C88 H120 O36 -","4","1","FN3234","Paz, Cristian; von Dossow, Daniela; Tiznado, Victor; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo","A dihydro-β-agarofuran sesquiterpene from <i>Maytenus boaria</i>","Acta Crystallographica Section C","2017","73","6","451","457","10.1107/S2053229617006817","","","1.54178","CuKα","","0.0638","0.0605","","","0.1572","0.1648","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199091","2020-10-21","18:00:00",""
"2020804","12.671","0.002","6.61","0.001","10.2706","0.0002","90","","106.64","0.01","90","","824.19","0.19","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium magnesium bis(selenate) decahydrate","","- H20 Mg Na2 O18 Se2 -","- H20 Mg Na2 O18 Se2 -","- H40 Mg2 Na4 O36 Se4 -","2","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.0263","0.0199","","","0.0434","0.0464","","","","","","1.011","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020805","5.556","0.004","5.923","0.004","7.224","0.005","108.36","0.06","99.07","0.05","106.63","0.06","208","0.3","200","2","200","","","","","","","","","5","P -1","-P 1","2","","Disodium magnesium bis(selenate) dihydrate","","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","1","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.039","0.0321","","","0.0806","0.0844","","","","","","1.269","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020806","9.9801","0.0004","18.854","0.0008","26.1414","0.0011","90","","90","","90","","4918.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>R</i>,3<i>S</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(pivalamido)propyl]benzamide","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C216 H256 N16 O24 -","8","2","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.0813","0.0578","","","0.1254","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020807","10.1501","0.0011","14.8556","0.0015","17.662","0.002","109.248","0.008","97.929","0.009","91.214","0.008","2483.9","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(propionamido)propyl]benzamide dichloromethane hemisolvate","","- C25.5 H29 Cl N2 O3 -","- C25.5 H29 Cl N2 O3 -","- C102 H116 Cl4 N8 O12 -","4","4","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.1084","0.0789","","","0.1815","0.1952","","","","","","1.063","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020808","6.8884","0.0004","9.5036","0.0006","9.618","0.0006","73.608","0.002","87.634","0.002","69.969","0.002","566.43","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","5-Fluorouracil‒5-bromothiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒5-bromothiophene-2-carboxylic acid (1/1)","","- C9 H6 Br F N2 O4 S -","- C9 H6 Br F N2 O4 S -","- C18 H12 Br2 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.021","0.0191","","","0.0497","0.0508","","","","","","1.061","","","","has coordinates,has Fobs","199094","2020-10-21","18:00:00",""
"2020809","6.8304","0.0003","7.0075","0.0004","12.3042","0.0006","93.348","0.002","103.091","0.001","115.566","0.001","509.22","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5-Fluorouracil-thiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒thiophene-2-carboxylic acid (1/1)","","- C9 H7 F N2 O4 S -","- C9 H7 F N2 O4 S -","- C18 H14 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.0305","0.0281","","","0.0736","0.0753","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","199094","2020-10-21","18:00:00",""
"2020810","10.242","0.001","11.807","0.0011","22.297","0.002","80.453","0.002","84.916","0.002","64.733","0.001","2404.1","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","(1α,2β,4β,5α,16α,17β,19β,20α)-1,5,16,20-Tetrachloro-31,31,32,32-tetramethoxy-11,26-bis[5-(thiophen-2-yl)thiophen-2-yl]-7,14,22,29-tetraazanonacyclo[18.10.1.1^5,16^.0^2,19^.0^4,17^.0^6,15^.0^8,13^.0^21,30^.0^23,28^]dotriaconta-6(15),7,9,11,13,21(30),22,24,26,28-decaene chloroform monosolvate","","- C49 H37 Cl7 N4 O4 S4 -","- C49 H37 Cl7 N4 O4 S4 -","- C98 H74 Cl14 N8 O8 S8 -","2","1","FN3230","Wickham, Laura M.; Tanski, Joseph M.; Nadeau, Jocelyn M.","Crystal structure of a fluorescent C-shaped molecule containing closely stacked bithiophene-substituted quinoxaline rings","Acta Crystallographica Section C","2017","73","3","276","279","10.1107/S2053229617001991","","","0.71073","MoKα","","0.0527","0.0399","","","0.0959","0.1038","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","199095","2020-10-21","18:00:00",""
"2020811","9.54931","0.00015","16.1513","0.0002","14.5715","0.0002","90","","91.2561","0.0013","90","","2246.88","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~2~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>:<i>N</i>']bis(methanol-κ<i>O</i>)cobalt(II)] bis(perchlorate)]","","- C46 H40 Cl2 Co N16 O10 -","- C46 H40 Cl2 Co N16 O10 -","- C92 H80 Cl4 Co2 N32 O20 -","2","0.5","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","0.71073","MoKα","","0.0456","0.0396","","","0.0931","0.0977","","","","","","1.04","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020812","20.4923","0.0005","7.4278","0.0003","13.9819","0.0004","90","","94.891","0.002","90","","2120.47","0.12","100.6","0.1","100.6","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']dichloridocobalt(II)]","","- C22 H16 Cl2 Co N8 -","- C22 H16 Cl2 Co N8 -","- C88 H64 Cl8 Co4 N32 -","4","1","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","1.54184","CuKα","","0.0532","0.0393","","","0.0885","0.096","","","","","","1.037","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020813","8.7136","0.0002","6.3606","0.0002","13.3613","0.0003","90","","100.22","0.002","90","","728.78","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>R</i>,8<i>S</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decan-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","1.54184","CuKα","","0.0325","0.0315","","","0.0856","0.087","","","","","","1.04","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020814","8.7007","0.0003","6.3466","0.0002","13.3458","0.0004","90","","100.243","0.003","90","","725.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>S</i>,8<i>R</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","0.71073","MoKα","","0.0881","0.0522","","","0.1094","0.1272","","","","","","1.074","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020815","29.0091","0.0018","7.7205","0.0003","29.9984","0.0018","90","","114.524","0.003","90","","6112.5","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol hemihydrate","","- C32 H55 O5.5 -","- C32 H55 O5.5 -","- C256 H440 O44 -","8","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.081","0.0622","","","0.1654","0.1854","","","","","","1.046","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020816","17.9895","0.0011","8.2912","0.0004","22.7981","0.0018","90","","108.343","0.002","90","","3227.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol ethanol hemisolvate","","- C33 H57 O5.5 -","- C33 H57 O5.5 -","- C132 H228 O22 -","4","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.0799","0.0538","","","0.1301","0.153","","","","","","1.027","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020817","10.91","0.002","8.037","0.0016","17.018","0.003","90","","92.5","0.03","90","","1490.8","0.5","153","2","153","","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>S</i>)-3-Acetyl-20,24-epoxydammarane-3,12,25-triol","","- C32 H54 O5 -","- C32 H54 O5 -","- C64 H108 O10 -","2","1","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54187","CuKα","","0.0843","0.0675","","","0.1835","0.2075","","","","","","1.19","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020818","8.1694","0.0003","17.2478","0.0005","7.7689","0.0002","90","","97.521","0.001","90","","1085.25","0.06","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~12~-benzene-1,2,4,5-tetracarboxylato)distrontium(II)]","","- C10 H4 O9 Sr2 -","- C10 H4 O9 Sr2 -","- C40 H16 O36 Sr8 -","4","0.5","","Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies","Acta Crystallographica Section C","2017","73","5","369","375","10.1107/S2053229617003850","","","0.71073","MoKα","","0.0279","0.0205","","","0.0478","0.0503","","","","","","1.049","","","","has coordinates,has Fobs","199099","2020-10-21","18:00:00",""
"2020819","8.73056","0.00018","11.7379","0.0003","17.619","0.0007","90","","102.142","0.0008","90","","1765.17","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,1'-dimethyl-4,4'-bipyridine-1,1'-diium) hexacyanidoferrate(II) octahydrate","","- C30 H44 Fe N10 O8 -","- C30 H44 Fe N10 O8 -","- C60 H88 Fe2 N20 O16 -","2","0.5","UK3133","Tanaka, Rikako; Matsushita, Nobuyuki","A charge-transfer salt composed of methyl viologen and hexacyanidoferrate(II)","Acta Crystallographica Section C","2017","73","6","476","480","10.1107/S2053229617007616","","","0.71075","MoKα","","0.0489","0.0421","","","0.1221","0.1303","","","","","","1.094","","","","has coordinates,has Fobs","199100","2020-10-21","18:00:00",""
"2020820","17.0243","0.0016","10.494","0.001","15.1374","0.0014","90","","109.09","0.003","90","","2555.6","0.4","120","2","120.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}carbonylchlorido(trimethylphosphane-κ<i>P</i>)iron(II)","","- C22 H43 Cl Fe N O P3 -","- C22 H43 Cl Fe N O P3 -","- C88 H172 Cl4 Fe4 N4 O4 P12 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0429","0.0316","","","0.0694","0.0759","","","","","","1.041","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020821","7.6074","0.0006","18.2229","0.0015","19.1442","0.0016","90","","92.3658","0.0013","90","","2651.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}chlorido(pyridine-κ<i>N</i>)iron(II)","","- C23 H39 Cl Fe N2 P2 -","- C23 H39 Cl Fe N2 P2 -","- C92 H156 Cl4 Fe4 N8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0221","0.0208","","","0.0536","0.0544","","","","","","1.037","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020822","13.7917","0.0017","14.6349","0.0018","11.2225","0.0013","90","","90.729","0.002","90","","2265","0.5","120","2","120.04","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}dicarbonylchloridoiron(II)","","- C20 H34 Cl Fe N O2 P2 -","- C20 H34 Cl Fe N O2 P2 -","- C80 H136 Cl4 Fe4 N4 O8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0472","0.042","","","0.0886","0.0901","","","","","","1.306","","","","has coordinates,has disorder,has Fobs","199101","2020-10-21","18:00:00",""
"2020823","8.073","0.0002","12.4019","0.0003","15.2718","0.0004","106.744","0.002","101.979","0.002","96.647","0.002","1406.93","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-naphthalene-2,6-dicarboxylato){μ~2~-4,4'-[oxybis(4,1-phenylene)]dipyridine}cadmium(II)] monohydrate]","","- C34 H26 Cd N2 O7 -","- C34 H26 Cd N2 O7 -","- C68 H52 Cd2 N4 O14 -","2","1","YP3134","Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang","A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties","Acta Crystallographica Section C","2017","73","7","541","545","10.1107/S2053229617008804","","","1.54178","CuKα","","0.0296","0.0292","","","0.0767","0.077","","","","","","1.082","","","","has coordinates,has Fobs","199102","2020-10-21","18:00:00",""
"2020824","7.9818","0.0003","26.7046","0.0009","9.222","0.0003","90","","115.398","0.002","90","","1775.69","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetramethylpyrazine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C14 H12 F3 I3 N2 -","- C14 H12 F3 I3 N2 -","- C56 H48 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0326","0.029","","","0.0659","0.0674","","","","","","1.185","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020825","10.5079","0.0004","12.5632","0.0005","15.1563","0.0006","90","","102.49","0.002","90","","1953.47","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","Dibenzo[<i>b</i>,<i>e</i>]pyridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C19 H9 F3 I3 N -","- C19 H9 F3 I3 N -","- C76 H36 F12 I12 N4 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0237","0.0219","","","0.0525","0.0538","","","","","","1.052","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020826","8.6445","0.0003","14.0472","0.0006","15.8147","0.0006","90","","97.662","0.002","90","","1903.25","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthroline‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C18 H8 F3 I3 N2 -","- C18 H8 F3 I3 N2 -","- C72 H32 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0283","0.0251","","","0.0572","0.0592","","","","","","1.148","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020827","11.731","0.004","14.274","0.005","13.211","0.005","90","","100.862","0.007","90","","2172.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ-2,4'-oxydibenzoato-κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^)copper(II)] monohydrate]{[Cu(C~14~H~8~O~5~)(C~10~H~8~N~2~)]\χdotH~2~O","","- C24 H18 Cu N2 O6 -","- C24 H18 Cu N2 O6 -","- C96 H72 Cu4 N8 O24 -","4","1","OV3089","Tang, Long; Zhang, Juan; Liu, Xiao-Xia; Wang, Ji-Jiang; Fu, Feng","A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bipyridine","Acta Crystallographica Section C Structural Chemistry","2017","73","7","","","10.1107/S2053229617007537","","","0.71073","MoKα","","0.0743","0.0419","","","0.1007","0.1094","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","199104","2020-10-21","18:00:00",""
"2020828","4.3677","0.0006","14.0232","0.0012","15.1816","0.0018","90","","96.153","0.016","90","","924.5","0.19","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>^2^,<i>N</i>^3^-Bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide","","- C18 H20 N6 O4 -","- C18 H20 N6 O4 -","- C36 H40 N12 O8 -","2","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.1135","0.0506","","","0.1076","0.1224","","","","","","0.767","","","","has coordinates,has Fobs","199112","2020-10-21","18:00:00",""
"2020829","14.9776","0.0016","17.3228","0.0012","29.57","0.004","90","","90","","90","","7672.1","1.4","153","2","153","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Poly[[[μ~4~-<i>N</i>^2^,<i>N</i>^3^-bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide]silver(I)] nitrate]","","- C18 H16 Ag N7 O5 -","- C18 H16 Ag N7 O5 -","- C288 H256 Ag16 N112 O80 -","16","","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.089","0.0454","","","0.0977","0.1069","","","","","","0.903","","","","has coordinates,has disorder,has Fobs","199112","2020-10-21","18:00:00",""
"2020830","8.0209","0.0003","14.5364","0.0005","25.0008","0.0008","90","","98.499","0.001","90","","2882.96","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-<i>N</i>-[(2-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","2","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0498","0.0488","","","0.1376","0.1389","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","199121","2020-10-21","18:00:00",""
"2020831","9.6085","0.0004","10.3246","0.0005","27.7296","0.0013","90","","90","","90","","2750.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>-[(4-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0504","0.0499","","","0.1374","0.138","","","","","","1.124","","","","has coordinates,has Fobs","199121","2020-10-21","18:00:00",""
"2020832","11.7931","0.0005","10.4209","0.0005","14.0792","0.0006","90","","111.081","0.001","90","","1614.46","0.12","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(11<i>bS</i>)-<i>N</i>-[(2<i>S</i>,4<i>S</i>)-4-(Diphenylphosphanyl)pentan-2-yl]-<i>N</i>-methyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepin-4-amine","","- C38 H35 N O2 P2 -","- C38 H35 N O2 P2 -","- C76 H70 N2 O4 P4 -","2","1","SK3658","Balogh, Szabolcs; Farkas, Gergely; Holczbauer, Tamás; Bakos, József","Origin of the chemical stability of phosphine-phosphoramidites: structural study of an UPPhos-type crystal and application of UPPhos in the asymmetric hydrogenation of imines","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010403","","","0.71075","MoKα","","0.0658","0.0439","","","0.0831","0.0899","","","","","","1.031","","","","has coordinates,has Fobs","199342","2020-10-21","18:00:00",""
"2020833","7.0166","0.0003","27.4725","0.0011","7.1101","0.0003","90","","113.738","0.001","90","","1254.61","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-2-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0258","0.024","","","0.0666","0.0682","","","","","","1.074","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020834","7.0616","0.0005","28.3503","0.0019","7.0571","0.0004","90","","114.324","0.005","90","","1287.41","0.15","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-4-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0284","0.0279","","","0.0767","0.077","","","","","","1.093","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020835","12.9824","0.0009","23.0588","0.0015","5.7527","0.0004","90","","90","","90","","1722.1","0.2","100","","100.02","","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C96 H72 F8 -","8","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0387","0.0385","","","0.1062","0.1066","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020836","5.6462","0.0014","20.739","0.005","7.292","0.002","90","","90","","90","","853.9","0.4","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C48 H36 F4 -","4","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0495","0.045","","","0.1387","0.1434","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020837","13.264","0.003","9.0189","0.0018","14.709","0.003","90","","107.04","0.03","90","","1682.3","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 Co N8 O8 -","- C32 H35.994 Co N8 O8 -","- C64 H71.988 Co2 N16 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0555","0.0516","","","0.0936","0.0955","","","","","","1.225","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020838","13.192","0.003","9.018","0.0018","14.67","0.003","90","","106.84","0.03","90","","1670.4","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}nickel(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 N8 Ni O8 -","- C32 H36 N8 Ni O8 -","- C64 H72 N16 Ni2 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0442","0.0387","","","0.0872","0.0904","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020839","5.9124","0.0002","17.6155","0.0005","20.3351","0.0006","90","","96.563","0.003","90","","2104.02","0.11","295","2","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(1-{4-[2-(2,4-Dihydroxyphenyl)diazen-1-yl]phenyl}ethylidene)amino]thiourea 1,1,2,2-tetrachloroethane monosolvate","","- C17 H17 Cl4 N5 O2 S -","- C17 H17 Cl4 N5 O2 S -","- C68 H68 Cl16 N20 O8 S4 -","4","1","HB7686","Riyadh, Sayed; Hughes, David L.; Said, Musa A.","Crystal structure of a 1,1,2,2-tetrachloroethane-solvated hydrazinecarbothioamide compound","Acta Crystallographica Section E Crystallographic Communications","2017","73","9","1271","","10.1107/S2056989017010830","","","0.71073","Mo-Kα","","0.0865","0.0764","","","0.1967","0.2035","","","","","","1.087","","","","has coordinates,has Fobs","199460","2020-10-21","18:00:00",""
"2020840","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0324","0.0296","","","","0.0836","","","","","","0.9807","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020841","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0417","0.0378","","","0.0997","0.1029","","","","","","1.048","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020842","9.3455","0.0009","13.1854","0.001","9.2185","0.0008","90","","118.466","0.011","90","","998.61","0.18","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trifluoro-2,4,6-triiodobenzene","","- C6 F3 I3 -","- C6 F3 I3 -","- C24 F12 I12 -","4","1","UK3135","Raffo, Pablo A.; Suárez, Sebastián; Fantoni, Adolfo C.; Baggio, Ricardo; Cukiernik, Fabio D.","Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011007","","","0.71073","MoKα","","0.0868","0.0538","","","0.132","0.1653","","","","","","1.058","","","","has coordinates,has Fobs","199555","2020-10-21","18:00:00",""
"2020843","9.1077","0.0007","13.5893","0.0011","19.476","0.0016","90","","90","","90","","2410.5","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","A646 (Breton2016)","4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","0.5","FN3238","Martin, Kenneth L.; Breton, Gary W.","Computational, ^1^H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617010786","","","0.71073","MoKα","","0.0492","0.0446","","","0.1195","0.1261","","","","","","1.041","","","","has coordinates,has Fobs","199556","2020-10-21","18:00:00",""
"2020844","15.8635","0.0002","15.8635","0.0002","8.9754","0.0001","90","","90","","120","","1956.06","0.04","293","2","293","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C12 H11 Cl N3 O P -","- C12 H11 Cl N3 O P -","- C72 H66 Cl6 N18 O6 P6 -","6","1","LY3049","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V.","A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds","Acta Crystallographica Section C","2017","73","7","508","516","10.1107/S205322961700794X","","","0.71073","MoKα","","0.0421","0.0407","","","","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","199598","2020-10-21","18:00:00",""
"2020845","8.4211","0.0011","9.5379","0.0012","9.7491","0.0012","83.531","0.006","66.048","0.004","85.922","0.006","710.78","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)zinc(II)","","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0695","0.0445","","","0.1059","0.1172","","","","","","1.019","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020846","8.7209","0.0004","8.7949","0.0004","10.349","0.0004","91.966","0.002","94.945","0.002","112.682","0.002","727.67","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)cadmium(II)","","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0341","0.0299","","","0.0664","0.0679","","","","","","1.098","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020847","9.271","0.005","9.571","0.005","10.156","0.005","87.833","0.005","68.383","0.005","88.803","0.005","837.2","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(tricyanomethanido-κ<i>N</i>^1^)cadmium(II)","","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0306","0.0262","","","0.0611","0.0635","","","","","","1.057","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020848","13.0866","0.0016","21.934","0.003","24.898","0.003","90","","91.214","0.004","90","","7145.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","","- C78 H91 Fe K N10 O8 -","- C78 H91 Fe K N10 O8 -","- C312 H364 Fe4 K4 N40 O32 -","4","1","EG3222","Wu, Qi; Yao, Zhen; Li, Jianfeng","Synthesis and characterization of (cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617009202","","","0.71073","MoKα","","0.0483","0.0357","","","0.0803","0.0866","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","199667","2020-10-21","18:00:00",""
"2020849","10.6134","0.0014","15.7166","0.0016","11.8754","0.0017","90","","100.376","0.005","90","","1948.5","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{5,6-dimethyl-2-(pyridin-2-yl)-1-(pyridin-2-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}platinum(II)","","- C20 H18 Cl2 N4 Pt -","- C20 H18 Cl2 N4 Pt -","- C80 H72 Cl8 N16 Pt4 -","4","1","UK3137","DeStefano, Matthew R.; Geiger, David K.","A luminescent bis(pyridyl)-substituted benzimidazole platinum(II) complex exhibiting an intermolecular anagostic interaction","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011573","","","0.71073","MoKa","","0.0506","0.0331","","","0.0641","0.0691","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199699","2020-10-21","18:00:00",""
"2020850","48.675","0.003","8.375","0.0005","16.3155","0.0009","90","","100.716","0.002","90","","6535.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(dimethylformamide-κ<i>O</i>)(perchlorato-κ<i>O</i>)[2-(quinolin-2-yl)-1,3-oxazolo[4,5-<i>f</i>][1,10]phenanthroline]copper(II) perchlorate monohydrate","","- C28 H30 Cl2 Cu N6 O13 -","- C28 H30 Cl2 Cu N6 O13 -","- C224 H240 Cl16 Cu8 N48 O104 -","8","1","SK3665","Bhat, Satish S.; Revankar, Vidyanand K.; Shivalingegowda, Naveen; Lokanath, N. K.","A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water‒perchlorate cluster and biological properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011639","","","1.54178","CuKα","","0.0522","0.0466","","","0.1268","0.132","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","199767","2020-10-21","18:00:00",""
"2020851","10.6003","0.0002","14.0573","0.0003","15.8141","0.0002","90","","104.016","0.001","90","","2286.33","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-oxo-2-phenyl-4<i>H</i>-chromen-3-olato)-κ^3^<i>O</i>^3^:<i>O</i>^3^,<i>O</i>^4^;κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] bis(perchlorate)","","- C50 H34 Cl2 N4 O14 Zn2 -","- C50 H34 Cl2 N4 O14 Zn2 -","- C100 H68 Cl4 N8 O28 Zn4 -","2","0.5","LG3207","Sorenson, Shayne; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011366","","","0.71073","MoKα","","0.0478","0.0372","","","0.0878","0.0933","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","199768","2020-10-21","18:00:00",""
"2020852","7.3985","0.0004","16.498","0.0009","22.9089","0.0013","90","","98.3739","0.001","90","","2766.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1","<i>catena</i>-Poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido]","","- C20 H24 Br4 Cd Hg N2 O5 -","- C20 H24 Br4 Cd Hg N2 O5 -","- C80 H96 Br16 Cd4 Hg4 N8 O20 -","4","1","YF3124","Truong, Khai-Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: Cd^II^ and Hg^II^ compete for nitrogen coordination","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011408","","","0.71073","MoKα","","0.0457","0.0362","","","0.0789","0.0825","","","","","","1.025","","","","has coordinates,has Fobs","199769","2020-10-21","18:00:00",""
"2020853","5.3945","0.0004","9.1577","0.0005","43.475","0.004","90","","90","","90","","2147.7","0.3","253","2","253","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol","","- C21 H25 Cl O5 S -","- C21 H25 Cl O5 S -","- C84 H100 Cl4 O20 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0616","0.0441","","","0.0935","0.1082","","","","","","1.069","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020854","4.4659","0.0003","9.8994","0.0008","48.073","0.005","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol monohydrate","","- C21 H27 Cl O6 S -","- C21 H27 Cl O6 S -","- C84 H108 Cl4 O24 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0832","0.073","","","0.1434","0.149","","","","","","1.35","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020855","10.3583","0.0002","13.1393","0.0003","17.7722","0.0004","90","","92.291","0.002","90","","2416.88","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprimium ferrocenecarboxylate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium ferrocene-1-carboxylate","","- C25 H28 Fe N4 O5 -","- C25 H28 Fe N4 O5 -","- C100 H112 Fe4 N16 O20 -","4","1","KU3202","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0438","0.0344","","","0.0851","0.0903","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199852","2020-10-21","18:00:00",""
"2020856","20.8783","0.0007","7.4013","0.0002","23.2605","0.0008","90","","108.146","0.004","90","","3415.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","4-Amino-5-chloro-2,6-dimethylpyrimidine ferrocenecarboxylic acid","4-Amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","","- C17 H18 Cl Fe N3 O2 -","- C17 H18 Cl Fe N3 O2 -","- C136 H144 Cl8 Fe8 N24 O16 -","8","1","","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0437","0.032","","","0.0772","0.084","","","","","","1.069","","","","has coordinates,has Fobs","199852","2020-10-21","18:00:00",""
"2020857","16.56","0.003","13.383","0.003","13.302","0.003","90","","111.47","0.03","90","","2743.5","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[[μ~4~-1,4-bis(1,2,4-triazol-1-yl)but-2-ene]bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato)dicadmium(II)] dihydrate]","","- C13 H11 Cd N3 O7 -","- C26 H22 Cd2 N6 O14 -","- C104 H88 Cd8 N24 O56 -","4","0.5","EG3225","Zhou, Qian-Kun; Li, Ni-Ya","A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617012189","","","0.71073","MoKα","","0.0209","0.0201","","","0.0468","0.0473","","","","","","1.157","","","","has coordinates,has Fobs","199942","2020-10-21","18:00:00",""
"2020877","7.3257","0.0015","9.0188","0.0018","15.578","0.003","81.7","0.03","77.64","0.03","68.9","0.03","935.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis{μ~2~-4,4'-bis[(1,2,4-triazol-1-yl)methyl]biphenyl-κ^2^<i>N</i>^4^:<i>N</i>^4'^}bis(nitrato-κ<i>O</i>)zinc(II)]","","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","1","0.5","VN2130","Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping","A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture","Acta Crystallographica Section E Crystallographic Communications","2017","73","10","1402","","10.1107/S2056989017012452","","","0.71073","MoKα","","0.0664","0.0509","","","0.1295","0.1434","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","200207","2020-10-21","18:00:00",""
"2020898","5.1217","0.0009","9.8397","0.0014","21.914","0.004","90","","90","","90","","1104.4","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","26-DAP","Pyridine-2,6-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","QS3064","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","A new polymorph of 2,6-diaminopyridine","Acta Crystallographica Section C","2017","73","11","990","993","10.1107/S2053229617014978","","","0.71073","MoKα","","0.1189","0.0561","","","0.1204","0.149","","","","","","0.984","","","","has coordinates,has Fobs","205301","2020-10-21","18:00:00",""
"2020899","4.5031","0.0011","6.586","0.0016","10.572","0.003","90","","96.54","0.006","90","","311.5","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Adiponitrile","Hexane-1,6-dinitrile","","- C6 H8 N2 -","- C6 H8 N2 -","- C12 H16 N4 -","2","0.5","SK3672","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","Adiponitrile at 100K","Acta Crystallographica Section C","2017","73","11","937","940","10.1107/S2053229617014620","","","1.54178","CuKα","","0.0456","0.0453","","","0.1305","0.1309","","","","","","1.141","","","","has coordinates,has Fobs","205302","2020-10-21","18:00:00",""
"2020900","8.4341","0.0002","8.6991","0.0002","10.1083","0.0002","91.249","0.002","113.506","0.002","110.292","0.002","626.74","0.03","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methoxyphenyl)-<i>N</i>'-(pyridin-2-yl)thiourea","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","1.54184","CuKα","","0.0337","0.033","","","0.0835","0.0838","","","","","","1.109","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020901","18.1534","0.0004","7.1814","0.0001","21.8523","0.0004","90","","90","","90","","2848.82","0.09","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Aquabis[5-methoxy-<i>N</i>-(pyridin-2-yl-κ<i>N</i>)benzothiazol-2-amine-κ<i>N</i>^3^]copper(II) dinitrate","","- C26 H24 Cu N8 O9 S2 -","- C26 H24 Cu N8 O9 S2 -","- C104 H96 Cu4 N32 O36 S8 -","4","0.5","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0497","0.0497","","","0.1052","0.1052","","","","","","1.335","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020902","10.0052","0.0001","12.594","0.0002","12.9412","0.0001","111.867","0.001","97.271","0.001","99.755","0.001","1459.04","0.03","110","2","110.15","","","","","","","","","7","P -1","-P 1","2","","Bis{2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]pyridin-1-ium} dichloridogold(I) chloride monohydrate","","- C26 H26 Au Cl3 N6 O3 S2 -","- C26 H26 Au Cl3 N6 O3 S2 -","- C52 H52 Au2 Cl6 N12 O6 S4 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0185","0.0182","","","0.0408","0.0408","","","","","","1.209","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020903","12.0312","0.0006","16.1528","0.0008","8.1007","0.0004","90","","107.295","0.006","90","","1503.09","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium [2-methoxy-4-(prop-2-en-1-yl)phenol]trichloridoplatinate","","- C10 H12 Cl3 K O2 Pt -","- C10 H12 Cl3 K O2 Pt -","- C40 H48 Cl12 K4 O8 Pt4 -","4","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0245","0.0227","","","0.0411","0.0417","","","","","","1.197","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020904","8.1313","0.0003","11.296","0.0005","11.4294","0.0007","88.793","0.004","76.567","0.004","70.219","0.004","958.93","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Chlorido(5,7-dichloroquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)[η^2^-2-methoxy4-(prop-2-en-1-yl)phenol]platinum(II)","","- C19 H16 Cl3 N O3 Pt -","- C19 H16 Cl3 N O3 Pt -","- C38 H32 Cl6 N2 O6 Pt2 -","2","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0411","0.0359","","","0.0841","0.0882","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020905","7.1226","0.0014","9.0134","0.0018","9.1203","0.0018","103.16","0.03","107.48","0.03","106.69","0.03","502.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-1,2,4-triazol-4-ide-3-carboxylato)-κ^3^<i>N</i>^2^,<i>O</i>:<i>N</i>^1^;κ^3^<i>N</i>^1^:<i>N</i>^2^,<i>O</i>-bis[triamminenickel(II)] tetrahydrate","","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","1","0.5","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0294","0.0275","","","0.07","0.0711","","","","","","1.06","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020906","7.2183","0.0014","7.4079","0.0015","9.887","0.002","72.45","0.03","68.82","0.03","62.74","0.03","432.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diamminediaquacopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^1^:<i>N</i>^4^,<i>O</i>-[diamminecopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^4^,<i>O</i>:<i>N</i>^1^] dihydrate]","","- C3 H11 Cu N5 O4 -","- C3 H11 Cu N5 O4 -","- C6 H22 Cu2 N10 O8 -","2","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0576","0.0521","","","0.1392","0.145","","","","","","1.036","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020907","7.0765","0.0014","12.676","0.003","20.591","0.004","90","","98.7","0.03","90","","1825.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-5-Amino-1,2,4-triazol-1-ide-3-carboxylato-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[triamminecobalt(III)] nitrate hydroxide trihydrate","","- C3 H29 Co2 N11 O11 -","- C3 H29 Co2 N11 O11 -","- C12 H116 Co8 N44 O44 -","4","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0338","0.0308","","","0.0825","0.0843","","","","","","1.058","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020908","11.5305","0.0006","8.2823","0.0004","11.502","0.0006","90","","118.304","0.007","90","","967.11","0.11","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,4,5-Triflurophenylboronic acid‒urea (1/1)","3,4,5-Triflurophenylboronic acid‒carbonic diamide (1/1)","","- C7 H8 B F3 N2 O3 -","- C7 H8 B F3 N2 O3 -","- C28 H32 B4 F12 N8 O12 -","4","1","LY3050","Kopczyńska, Karolina; Marek, Paulina H.; Banaś, Bartłomiej; Madura, Izabela D.","Synthon preference in the cocrystal of 3,4,5-trifluorophenylboronic acid with urea","Acta Crystallographica Section C","2017","73","11","889","895","10.1107/S2053229617013675","","","1.54184","CuKα","","0.0451","0.0341","","","0.0827","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","205308","2020-10-21","18:00:00",""
"2020909","2.5408","0.0003","2.5408","0.0003","7.5989","0.0009","90","","90","","120","","42.484","0.009","293","2","293","2","","","","","","","","3","P -6 m 2","P -6 2","187","","Lithium boron tricarbide","","- C3 B Li0.96 -","- C3 B Li0.98 -","- C3 B Li0.98 -","1","0.0833333","","Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut","LiBC~3~: a new borocarbide based on graphene and heterographene networks","Acta Crystallographica Section C","2017","73","11","984","989","10.1107/S2053229617015182","","","0.71073","MoKα","","0.0348","0.0323","","","0.0959","0.0984","","","","","","1.231","","","","has coordinates,has Fobs","205309","2020-10-21","18:00:00",""
"2020910","8.596","","11.217","","15.161","","92.88","","104.12","","91.19","","1415.06","","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C48 H34 Cl4 F6 N6 O12 Re2 S4 -","2","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0204","","","0.0508","0.0514","","","","","","1.035","","","","has coordinates","205310","2020-10-21","18:00:00",""
"2020911","12.814","0.003","12.088","0.002","18.248","0.004","90","","96.56","0.03","90","","2808","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate 0.28-hydrate","","- C27 H17 F3 N3 O6.28 Re S2 -","- C27.001 H17 F3.003 N3 O6.282 Re S2.001 -","- C108.004 H68 F12.012 N12 O25.128 Re4 S8.004 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0598","0.0424","","","0.0978","0.1042","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020912","12.398","0.002","12.878","0.003","15.393","0.003","90","0.03","91.83","0.03","90","0.03","2456.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C23 H15 F3 N3 O6 Re S -","- C23 H15 F3 N3 O6 Re S -","- C92 H60 F12 N12 O24 Re4 S4 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0188","","","0.0447","0.046","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020913","10.5928","0.0005","10.7082","0.0005","12.4943","0.0006","69.019","0.004","71.705","0.004","88.11","0.003","1251.32","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Pyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C25 H17 Cu F6 N O5 -","- C25 H17 Cu F6 N O5 -","- C50 H34 Cu2 F12 N2 O10 -","2","1","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.109","0.0517","","","0.0993","0.1182","","","","","","0.986","","","","has coordinates,has Fobs","205311","2020-10-21","18:00:00",""
"2020914","10.0085","0.0003","14.154","0.0005","11.2503","0.0003","90","","110.022","0.004","90","","1497.4","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(pyridin-3-ol-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O6 -","- C30 H22 Cu F6 N2 O6 -","- C60 H44 Cu2 F12 N4 O12 -","2","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","1.54184","CuKα","","0.0546","0.048","","","0.1412","0.1493","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020915","7.595","0.0003","9.6764","0.0004","10.7507","0.0004","108.71","0.002","101.727","0.002","93.65","0.002","725.61","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-hydroxypyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","1","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.041","0.0328","","","0.0808","0.086","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020916","7.3585","0.0015","8.796","0.0018","17.619","0.003","79.56","0.03","84.69","0.03","78.96","0.03","1098.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[benzyltriethylammonium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C19 H22 Cd N10 -","- C19 H22 Cd N10 -","- C38 H44 Cd2 N20 -","2","1","CU3115","Lu, Yang; Liao, Wei-Qiang; Hua, Xiu-Ni","A new two-dimensional polymeric cadmium(II) complex containing dicyanamide bridging ligands","Acta Crystallographica Section C","2017","73","11","885","888","10.1107/S2053229617013614","","","0.71073","MoKα","","0.0858","0.0442","","","0.0823","0.0946","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","205312","2020-10-21","18:00:00",""
"2020917","9.207","0.0002","8.21","0.0002","28.27","0.0007","90","","90","","90","","2136.91","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxypropyl)-3-phenylprop-2-enamide","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0504","0.0397","","","0.0928","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020918","10.627","0.0004","9.249","0.0004","24.623","0.0009","90","","90","","90","","2420.17","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0712","0.0482","","","0.1242","0.1371","","","","","","1.038","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020919","14.294","0.0007","11.448","0.0006","16.112","0.0009","90","","110.158","0.003","90","","2475","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","2","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0833","0.0514","","","0.1122","0.1282","","","","","","1.039","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020920","9.3874","0.0004","10.5102","0.0004","15.4295","0.0006","71.167","0.001","83.335","0.002","87.73","0.001","1431.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-5-chloro-2,4-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0371","0.0322","","","0.0771","0.0812","","","","","","1.068","","","","has coordinates,has Fobs","205314","2020-10-21","18:00:00",""
"2020921","24.7483","0.0012","6.9525","0.0003","18.1423","0.0008","90","","111.5","0.003","90","","2904.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C104 H104 Cl16 N24 O24 -","8","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0427","0.0384","","","0.1009","0.1038","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020922","6.7335","0.0003","7.6307","0.0004","25.0638","0.001","90","","93.928","0.004","90","","1284.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-dimethoxypyrimidin-1ium thiophene-2-carboxylate","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","0.71073","MoKα","","0.0715","0.0474","","","0.1063","0.1193","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020923","12.2643","0.0001","12.2643","0.0001","12.2643","0.0001","90","","90","","90","","1844.71","0.03","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Tricaesium lithium dizinc tetrakis(tetraoxotungstate)","","- Cs3 Li O16 W4 Zn2 -","- Cs3 Li0.99 O16 W4 Zn2.01 -","- Cs12 Li3.96 O64 W16 Zn8.04 -","4","0.0833333","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0181","0.0176","","","0.0345","0.0346","","","","","","1.388","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020924","11.8635","0.0003","11.8635","0.0003","11.8932","0.0004","90","","90","","90","","1673.88","0.08","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tricaesium dilithium gallium tetrakis(tetraoxomolybdate)","","- Ga Li2 Mo4 O16 Rb3 -","- Ga Li2 Mo4 O16 Rb3 -","- Ga4 Li8 Mo16 O64 Rb12 -","4","0.25","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0234","0.0217","","","0.056","0.0564","","","","","","1.07","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020925","12.519","0.003","12.594","0.003","19.975","0.004","80.12","0.03","89.69","0.03","68.02","0.03","2871.2","1.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","3-(2<i>H</i>-1,3-Benzodioxol-5-yl)-6-methoxy-8,8-dimethyl-4<i>H</i>,8<i>H</i>-pyrano[2,3-<i>h</i>]chromen-4-one‒ (2<i>E</i>)-1-(4-{[(2<i>E</i>)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one‒ethanol (2/1/0.13)","","- C69.27 H64.81 O16.14 -","- C69.2692 H64.8076 O16.1346 -","- C138.538 H129.615 O32.2692 -","2","1","QS3066","Vinokur, Anastasiya I.; White, Paul B.; Fotsing, Maurice Tagatsing; Arderne, Charmaine; Ndinteh, Derek Tantoh; Vestling, Martha M.; Guzei, Ilia A.","Deciphering composition and connectivity of a natural product with the assistance of MS and 2D NMR","Acta Crystallographica Section C","2017","73","11","994","1002","10.1107/S2053229617014966","","","0.71073","MoKα","","0.102","0.0572","","","0.1411","0.1646","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205316","2020-10-21","18:00:00",""
"2020926","11.96","0.004","9.025","0.003","14.981","0.004","90","","96.768","0.006","90","","1605.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-(5-Bromo-2-hydroxybenzylidene)-6-hydroxy-8-methoxy-3,4-dihydrobenzo[<i>b</i>]oxepin-5(2<i>H</i>)-one","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","SK3671","Li, Ning; Yao, Binrong; Wang, Chunhua; Meng, Qingguo; Hou, Guige","Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2<i>H</i>)-one derivatives as protein‒tyrosine kinase (PTK) inhibitors","Acta Crystallographica Section C","2017","73","11","1003","1009","10.1107/S2053229617015145","","","0.71073","MoKα","","0.0636","0.0383","","","0.0838","0.0941","","","","","","1.022","","","","has coordinates,has Fobs","205317","2020-10-21","18:00:00",""
"2020927","5.4784","0.0005","5.9139","0.0006","30.379","0.003","90","","92.54","0.007","90","","983.27","0.17","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sodium (4-fluorophenoxy)acetate dihydrate","Poly[μ-aqua-aqua-μ-[2-(4-fluorophenoxy)acetato]-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^-sodium]","","- C8 H10 F Na O5 -","- C8 H10 F Na O5 -","- C32 H40 F4 Na4 O20 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0916","0.0636","","","0.1273","0.1426","","","","","","1.087","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020928","18.3542","0.0015","6.9466","0.0008","6.5969","0.0005","90","","92.995","0.007","90","","839.95","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-potassium]","","- C8 H6 F K O3 -","- C8 H6 F K O3 -","- C32 H24 F4 K4 O12 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0961","0.0805","","","0.1911","0.1987","","","","","","1.204","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020929","18.0011","0.0016","7.1625","0.0004","6.8548","0.0004","90","","91.995","0.007","90","","883.27","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-rubidium]","","- C8 H6 F O3 Rb -","- C8 H6 F O3 Rb -","- C32 H24 F4 O12 Rb4 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0731","0.0507","","","0.092","0.1009","","","","","","0.968","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020930","8.4981","0.0017","17.669","0.004","12.658","0.003","90","","100.95","0.03","90","","1866","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(3,5-dicarboxybenzene-1-carboxylato-κ<i>O</i>^1^)silver(I)]-μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']","","- C21 H15 Ag N2 O6 -","- C21 H15 Ag N2 O6 -","- C84 H60 Ag4 N8 O24 -","4","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0314","0.0267","","","0.0667","0.0692","","","","","","1.08","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020931","9.4176","0.0019","9.861","0.002","12.269","0.003","91.11","0.03","103.34","0.03","117.23","0.03","975.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3^)[μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^4^<i>N</i>:<i>N</i>']cadmium(II)] monohydrate]","","- C21 H16 Cd N2 O7 -","- C21 H16 Cd N2 O7 -","- C42 H32 Cd2 N4 O14 -","2","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0213","0.0202","","","0.0498","0.0508","","","","","","1.135","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020932","16.2905","0.0005","6.751","0.0002","18.9112","0.0006","90","","98.2024","0.0011","90","","2058.52","0.11","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine","","- C19 H35 N P2 -","- C19 H35 N P2 -","- C76 H140 N4 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0429","0.0345","","","0.0889","0.0959","","","","","","1.023","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020933","8.2907","0.0001","10.7222","0.0002","13.6434","0.0002","87.0826","0.0006","80.8448","0.0006","75.7315","0.0006","1160.35","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}dichloridoiron(II)","","- C19 H35 Cl2 Fe N P2 -","- C19 H35 Cl2 Fe N P2 -","- C38 H70 Cl4 Fe2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0282","0.0254","","","0.0673","0.0693","","","","","","1.047","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020934","8.2603","0.0002","10.722","0.0003","13.6314","0.0003","86.8728","0.001","80.5491","0.001","75.6607","0.001","1153.68","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}Dichloridocobalt(II)","","- C19 H35 Cl2 Co N P2 -","- C19 H35 Cl2 Co N P2 -","- C38 H70 Cl4 Co2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0351","0.0292","","","0.0719","0.076","","","","","","1.036","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020935","10.6732","0.0005","15.6935","0.0008","15.1651","0.0007","90","","96.0732","0.0008","90","","2525.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-\ κ^2^<i>P</i>,<i>P</i>'}bromidotricarbonylmanganese(I)","","- C22 H35 Br Mn N O3 P2 -","- C22 H35 Br Mn N O3 P2 -","- C88 H140 Br4 Mn4 N4 O12 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0277","0.025","","","0.0643","0.0661","","","","","","1.019","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020936","8.7119","0.0017","10.318","0.002","10.961","0.002","83.47","0.03","82.91","0.03","84.71","0.03","968.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ-adipato-κ^2^<i>O</i>^1^:<i>O</i>^4^-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^-diaquabis[μ-1,4-bis(pyridin-4-yl)-1,3-butadiene-κ^2^<i>N</i>:<i>N</i>']dicadmium]","","- C20 H22 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C40 H44 Cd2 N4 O10 -","2","1","YP3147","Hou, Yi-Xuan; Liu, Dong","A three-dimensional supramolecular framework based on the interlinkage of an interpenetrating diamondoid coordination network","Acta Crystallographica Section C","2017","73","11","869","873","10.1107/S2053229617013560","","","0.71073","MoKα","","0.0301","0.0284","","","0.075","0.0757","","","","","","1.16","","","","has coordinates,has Fobs","205321","2020-10-21","18:00:00",""
"2020937","10.264","0.002","12.066","0.003","13.382","0.003","98.7061","0.0014","110.591","0.0015","113.591","0.0016","1336.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-{<i>N</i>-[(Anthracen-9-yl)methyl]ethane-1,2-diamine}bis(pyridine-\ κ<i>N</i>)platinum(II) dinitrate","","- C27 H28 N6 O6 Pt -","- C27 H28 N6 O6 Pt -","- C54 H56 N12 O12 Pt2 -","2","1","QS3062","Kiwada, Tatsuto; Takayama, Hiroshi; Hirasaki, Aika; Ogawa, Kazuma; Odani, Akira","Asymmetric structure of <i>cis</i>-[<i>N</i>-(9-anthracenylmethyl)-1,2-ethanediamine]dipyridineplatinum(II) dinitrate","Acta Crystallographica Section C","2017","73","11","975","978","10.1107/S2053229617014255","","","0.7107","MoKα","","0.0228","0.0213","","","0.05","0.0503","","","","","","1.041","","","","has coordinates,has Fobs","205322","2020-10-21","18:00:00",""
"2020938","12.3459","0.0006","15.9301","0.0008","14.7454","0.0007","90","","90","","90","","2900","0.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[hexa-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-pentakis(μ~3~-tetrazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)cobalt(III)tetracopper(II)] monohydrate]","","- C11 H7 Co Cu4 N26 O -","- C11 H5 Co Cu4 N26 -","- C44 H20 Co4 Cu16 N104 -","4","0.5","LF3061","Qin, Ying-Lian; Qin, Jian-Fang; Sun, Hong","A novel tetrazolate- and cyanide-bridged three-dimensional heterometallic coordination polymer: crystal structure, thermal stability and magnetic properties","Acta Crystallographica Section C","2017","73","11","968","974","10.1107/S2053229617014760","","","0.71073","MoKα","","0.0709","0.0548","","","0.1628","0.1762","","","","","","1.12","","","","has coordinates,has Fobs","205323","2020-10-21","18:00:00",""
"2020939","8.8133","0.0019","11.8","0.003","15.404","0.003","96.363","0.005","93.886","0.005","105.518","0.005","1526.1","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Cu monomer","Aqua(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(trifluoromethanesulfonato-κ<i>O</i>)copper(II) tetrahydrofuran monosolvate","","- C25 H29 Cu F6 N3 O8 S2 -","- C25 H29 Cu F6 N3 O8 S2 -","- C50 H58 Cu2 F12 N6 O16 S4 -","2","1","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1262","0.0554","","","0.0913","0.1069","","","","","","0.725","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020940","8.8793","0.0005","10.5542","0.0006","14.162","0.0008","103.357","0.001","94.115","0.001","102.742","0.001","1248.9","0.12","273","2","273","2","","","","","","","","7","P -1","-P 1","2","Cu dimer","Bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')bis[(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)copper(II)]","","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","1","0.5","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1293","0.0717","","","0.1595","0.2585","","","","","","1.161","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020941","12.231","0.006","3.919","0.002","17.968","0.009","90","","92.949","0.009","90","","860.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[amino(hydrazinyl)methylidene]azanium 5,5'-[1,2,4,5-tetrazine-3,6-diylbis(azanediyl)]bis(1<i>H</i>-1,2,3,4-tetrazol-1-ide) dihydrate","","- C6 H20 N22 O2 -","- C6 H20 N22 O2 -","- C12 H40 N44 O4 -","2","0.5","QS3063","Liu, Qing; Chen, Xiang; Cao, Wenli; Yang, Jin; Zhang, Wenhui; Ren, Yinghui; Ma, Haixia; Zhao, Fengqi; Hu, Rongzu","The synthesis, crystal structure and thermal properties of an energetic compound: the hydrated azanium salt of 3,6-bis[(1<i>H</i>-1,2,3,4-tetrazol-5-yl)amino]-1,2,4,5-tetrazine","Acta Crystallographica Section C","2017","73","11","941","945","10.1107/S2053229617014267","","","0.71073","MoKα","","0.0923","0.0574","","","0.1638","0.1817","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","205325","2020-10-21","18:00:00",""
"2021884","17.856","0.008","5.008","0.003","10.264","0.013","90","","106.46","0.05","90","","880.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H3.94 Li N0.984 O4 S Yb0.005 -","- H3.938 Li N0.9845 O4 S Yb0.00525 -","- H31.504 Li8 N7.876 O32 S8 Yb0.042 -","8","2","YB5013","Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.","Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","1","122","","10.1107/S2052520616019028","","","0.71073","MoKα","","0.0671","0.0535","","","0.1354","0.1434","","","","","","1.173","","","","has coordinates","246089","2020-10-21","18:00:00",""
"2021885","10.177","0.015","5.106","0.004","34.234","0.016","90","","90.2","0.1","90","","1779","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H3.843 Li N0.961 O4 S Yb0.013 -","- Li N0.961 O4 S Yb0.01305 -","- Li16 N15.376 O64 S16 Yb0.2088 -","16","4","","Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.","Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","1","122","","10.1107/S2052520616019028","","","0.71073","MoKα","","0.1029","0.0603","","","0.1333","0.1632","","","","","","1.197","","","","has coordinates","246089","2020-10-21","18:00:00",""
"2021886","9.0522","0.0004","9.0522","0.0004","9.0522","0.0004","90","","90","","90","","741.76","0.06","365","2","365","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","pentafluorooxovanadium","pentafluorooxovanadium","","- F5 H12 N3 O V -","- F6.0006 H11.9976 N3 V0.9996 -","- F24.0024 H47.9904 N12 V3.9984 -","4","0.0208333","","Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.","Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1085","","10.1107/S2052520617012422","","","0.71073","MoKα","","0.0265","0.0247","","","0.0955","0.0993","","","","","","1.007","","","","has coordinates","246112","2020-10-21","18:00:00",""
"2021887","6.2986","0.0003","9.1638","0.0004","18.9044","0.0008","90","","90","","90","","1091.15","0.08","296","2","296","2","","","","","","","","5","I m m m","-I 2 2","71","pentafluorooxovanadium","pentafluorooxovanadium","","- F5 H12 N3 O V -","- F6 N3 V -","- F36 N18 V6 -","6","0.375","","Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.","Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1085","","10.1107/S2052520617012422","","","0.71073","MoKα","","0.0526","0.0462","","","0.1356","0.1416","","","","","","1.001","","","","has coordinates","246112","2020-10-21","18:00:00",""
"2021888","6.2738","0.0003","9.1388","0.0004","18.8424","0.0008","90","","90","","90","","1080.33","0.08","296","2","296","2","","","","","","","","5","I 2 2 2","I 2 2","23","tetrafluorodioxovanadium","tetrafluorodioxovanadium","","- F4 H12 N3 O2 V -","- F6 N3 V -","- F36 N18 V6 -","6","0.75","","Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.","Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1085","","10.1107/S2052520617012422","","","0.71073","MoKα","","0.0507","0.0443","","","0.1307","0.1386","","","","","","0.979","","","","has coordinates","246112","2020-10-21","18:00:00",""
"2021889","7.763","0.002","5.3386","0.001","11.875","0.002","90","","92.64","0.02","90","","491.62","0.18","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B8 O20 Sr8 -","4","1","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71069","MoKα","","0.0403","0.0314","","","0.033","0.0352","","","","1.2","1.2","1.17","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021890","3.882","0.002","5.3386","0.001","11.875","0.002","90","","92.64","0.02","90","","245.84","0.14","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B4 O10 Sr4 -","2","0.5","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71069","MoKα","","0.0404","0.0314","","","0.0331","0.0353","","","","1.2","1.2","1.17","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021891","9.4662","0.0011","13.2754","0.0007","11.8671","0.0016","88.815","0.011","91.651","0.011","91.473","0.011","1489.9","0.3","583","","295","","","","","","","","","3","P -1","-P 1","2","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B24 O60 Sr24 -","12","6","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71073","MoKα","","0.1299","0.04","","","0.0402","0.0582","","","","1.22","1.22","1.12","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021892","3.9001","0.0011","5.3685","0.0007","11.8671","0.0016","89.994","0.011","92.008","0.011","90.038","0.011","248.32","0.08","583","","295","","","","","","","","","3","P -1","-P 1","2","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B4 O10 Sr4 -","2","1","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71073","MoKα","","0.1317","0.0412","","","0.0423","0.0601","","","","1.26","1.26","1.15","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021893","3.9125","","5.3699","","11.8732","","90","","91.849","","90","","249.323","","668","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B4 O10 Sr4 -","2","0.5","DQ5023","Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav","Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1056","","10.1107/S2052520617012689","","x-ray","0.71073","MoKα","","0.0443","0.0299","","","0.0306","0.0355","","","","1.22","1.22","1.25","","","","has coordinates","246113","2020-10-21","18:00:00",""
"2021894","15.7531","0.00005","15.7531","0.00005","15.7531","0.00005","90","","90","","90","","3909.29","0.02","295","","295","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cd113.75 Mg31.37 Yb24 -","- Cd113.75 Mg31.3744 Yb24.01 -","- Cd113.75 Mg31.3744 Yb24.01 -","1","0.0208333","","Yamada, Tsunetomo; Takakura, Hiroyuki; de Boissieu, Marc; Tsai, An-Pang","Atomic structures of ternary Yb‒Cd‒Mg icosahedral quasicrystals and a 1/1 approximant","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1125","","10.1107/S2052520617013270","","x-ray","0.71073","MoKα","","0.032","0.0295","","","0.0686","0.0698","","","","","","1.174","","","","has coordinates","246114","2020-10-21","18:00:00",""
"2021895","11.3457","0.0012","3.8195","0.0005","6.9699","0.0008","90","","100.359","0.011","90","","297.12","0.06","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O5 Rb2 Ti2 -","- O5 Rb2 Ti2 -","- O10 Rb4 Ti4 -","2","0.25","","Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte","The crystal structure of Rb2Ti2O5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1142","","10.1107/S2052520617013646","","x-ray","0.71073","MoKα","","0.0537","0.0499","","","0.131","0.1342","","","","","","1.109","","","","has coordinates","246115","2020-10-21","18:00:00",""
"2021896","11.337","0.0013","3.8244","0.0005","6.9946","0.0008","90","","100.308","0.012","90","","298.37","0.06","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O5 Rb2 Ti2 -","- O5 Rb2 Ti2 -","- O10 Rb4 Ti4 -","2","0.25","","Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte","The crystal structure of Rb2Ti2O5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1142","","10.1107/S2052520617013646","","x-ray","0.71073","MoKα","","0.0293","0.0279","","","0.0714","0.0725","","","","","","1.173","","","","has coordinates","246115","2020-10-21","18:00:00",""
"2021897","11.3419","0.0012","3.8198","0.0005","7.0103","0.0008","90","","100.298","0.011","90","","298.82","0.06","400","","400","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O5 Rb2 Ti2 -","- O5 Rb2 Ti2 -","- O10 Rb4 Ti4 -","2","0.25","","Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte","The crystal structure of Rb2Ti2O5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1142","","10.1107/S2052520617013646","","x-ray","0.71073","MoKα","","0.04","0.0353","","","0.0893","0.0918","","","","","","1.081","","","","has coordinates","246115","2020-10-21","18:00:00",""
"2021898","20.6578","0.0006","8.922","0.0002","13.9144","0.0005","90","","129.181","0.001","90","","1987.92","0.11","290","","290","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.73) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.27) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.059","0.0377","","","0.0819","0.0861","","","","2.04","2.04","1.83","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021899","20.6416","0.0007","8.9068","0.0002","13.9075","0.0005","90","","129.118","0.001","90","","1983.77","0.11","280","","280","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.70) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.30) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0536","0.0356","","","0.083","0.0866","","","","2.15","2.15","1.93","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021900","20.6339","0.0007","8.8975","0.0002","13.9054","0.0004","90","","129.096","0.001","90","","1981.28","0.1","270","","270","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.67) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.33) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0484","0.0345","","","0.0802","0.0824","","","","2.23","2.23","2.02","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021901","20.6096","0.0007","8.8814","0.0003","13.8865","0.0004","90","","129.047","0.001","90","","1974.05","0.11","260","","260","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.61) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.39) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.041","0.0333","","","0.0819","0.0837","","","","2.49","2.49","2.33","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021902","20.5877","0.0006","8.8673","0.0002","13.8912","0.0004","90","","128.997","0.001","90","","1970.88","0.1","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.60) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.40) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0477","0.0344","","","0.0766","0.0788","","","","2.09","2.09","1.91","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021903","20.5748","0.0007","8.853","0.0003","13.8869","0.0009","90","","128.962","0.001","90","","1966.83","0.16","240","","240","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,4,6-triaminopyrimidinium(1+)) hydrogen trioxofluorophosphate(1-) (0.64) : (2,4,6-triaminopyrimidinium(2+)) trioxofluorophosphate(2-) (0.36) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0537","0.0352","","","0.0778","0.0816","","","","1.99","1.99","1.8","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021904","20.5719","0.0006","8.8396","0.0002","13.9003","0.0004","90","","128.924","0.001","90","","1966.53","0.1","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.59) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.41) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0455","0.0339","","","0.08","0.0823","","","","2.17","2.17","2","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021905","20.5473","0.0007","8.8249","0.0002","13.8851","0.0005","90","","128.914","0.001","90","","1959.04","0.11","220","","220","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(1+) hydrogen trioxofluorophosphate(1-) (0.56) : 2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) (0.44) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1–x trioxofluorophosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0462","0.0337","","","0.0767","0.079","","","","2.12","2.12","1.93","","","","has coordinates","287890","2023-11-30","15:26:28",""
"2021906","20.5418","0.0007","8.812","0.0002","13.8845","0.0009","90","","128.89","0.001","90","","1956.23","0.15","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) trioxofluorophosphate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0772","0.0796","","","","2.17","2.17","2.02","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021907","20.5237","0.0006","8.8033","0.0002","13.8813","0.0004","90","","128.85","0.001","90","","1953.22","0.1","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0331","0.0289","","","0.0757","0.0768","","","","2.56","2.56","2.45","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021908","20.5134","0.0006","8.7963","0.0002","13.8768","0.0004","90","","128.806","0.001","90","","1951.27","0.1","190","","190","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.042","0.0323","","","0.0786","0.0808","","","","2.18","2.18","2.04","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021909","20.4891","0.0006","8.7848","0.0002","13.8632","0.0004","90","","128.781","0.001","90","","1945.18","0.1","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0451","0.0339","","","0.0775","0.0798","","","","2.11","2.11","1.97","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021910","20.5006","0.0007","8.7803","0.0002","13.8618","0.0005","90","","128.797","0.001","90","","1944.64","0.11","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0393","0.031","","","0.0743","0.0763","","","","2.13","2.13","2","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021911","20.4756","0.0007","8.7798","0.0003","13.8428","0.0005","90","","128.764","0.001","90","","1940.4","0.12","160","","160","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0425","0.0315","","","0.0772","0.0795","","","","2.11","2.11","1.95","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021912","20.463","0.0006","8.7767","0.0002","13.8368","0.0005","90","","128.717","0.001","90","","1938.95","0.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0387","0.0305","","","0.0782","0.0802","","","","2.21","2.21","2.07","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2021913","20.4273","0.0006","8.7714","0.0002","13.7988","0.0007","90","","128.623","0.001","90","","1931.62","0.12","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4,6-triaminopyrimidinium(2+) fluorophosphonate(2-) monohydrate","","- C4 H11 F N5 O4 P -","- C4 H11 F N5 O4 P -","- C32 H88 F8 N40 O32 P8 -","8","1","","Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl","Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1114","","10.1107/S2052520617014007","","x-ray","0.71073","MoKα","","0.0326","0.0279","","","0.0733","0.0744","","","","2.26","2.26","2.16","","","","has coordinates","246117","2020-10-21","18:00:00",""
"2022632","5.9638","0.0002","8.4266","0.0003","11.0246","0.0004","90","","92.779","0.003","90","","553.38","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1<i>H</i>,5<i>H</i>-pyrano[3,2-<i>b</i>]pyrrol-5-one","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","HG5487","Zukerman-Schpector, Julio; Moro, Angélica V.; dos Santos, Marcelo R.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica, Section E: Crystallographic Communications","2017","73","5","746","751","10.1107/S2056989017005680","","","0.71073","MoKα","","0.0407","0.0358","","","0.09","0.0935","","","","","","1.026","","","","has coordinates,has Fobs","276692","2022-07-06","21:12:05",""
"2022658","8.8572","0.0004","27.3614","0.0011","7.8306","0.0004","90","","90","","90","","1897.71","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>DL</i>-Norvalinium hydrogen maleate–<i>DL</i>-norvaline (1/1)","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C56 H104 N8 O32 -","4","0.5","SK3642","Arkhipov, Sergey G.; Losev, Evgeniy A.; Boldyreva, Elena V.","New 1:1 and 2:1 salts in the 'DL-norvaline–maleic acid' system as an example of assembling various crystal structures from similar supramolecular building blocks","Acta Crystallographica, Section C: Structural Chemistry","2017","73","1","13","19","10.1107/s2053229616018271","","x-ray","0.71073","MoKα","","0.0885","0.0792","","","0.1419","0.1455","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","277497","2022-08-31","14:18:30",""
"2022659","19.6385","0.0015","5.62705","0.00018","23.6867","0.001","90","","108.283","0.006","90","","2485.4","0.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>DL</i>-Norvalinium hydrogen maleate","<i>DL</i>-Norvalinium hydrogen maleate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C72 H120 N8 O48 -","8","1","SK3642","Arkhipov, Sergey G.; Losev, Evgeniy A.; Boldyreva, Elena V.","New 1:1 and 2:1 salts in the 'DL-norvaline–maleic acid' system as an example of assembling various crystal structures from similar supramolecular building blocks","Acta Crystallographica, Section C: Structural Chemistry","2017","73","1","13","19","10.1107/s2053229616018271","","","0.71073","MoKα","","0.0856","0.0681","","","0.1559","0.1657","","","","","","1.232","","","","has coordinates,has disorder,has Fobs","277498","2022-08-31","14:19:14",""
"2108027","9.61865","0.00009","5.03554","0.00003","13.75158","0.00013","90","","162.404","0.0003","90","","201.349","0.004","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","hematite","","","- Fe2 O3 -","- Fe2 O3 -","- Fe8 O12 -","4","0.5","DQ5016","Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.","Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature","Acta Crystallographica Section B","2017","73","1","27","32","10.1107/S2052520616017935","powder diffraction","x-ray","0.40086","synchrotron","","0.0317","0.021","","0.0316","0.0294","","","","1.37","","","","","","","has coordinates,has Fobs","191415","2020-10-21","18:00:00",""
"2108028","9.6892","0.00008","5.08737","0.00002","13.84868","0.00011","90","","162.351","0.0002","90","","206.967","0.003","1053","","1053","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","hematite","","","- Fe2 O3 -","- Fe2 O3 -","- Fe8 O12 -","4","0.5","DQ5016","Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.","Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature","Acta Crystallographica Section B","2017","73","1","27","32","10.1107/S2052520616017935","powder diffraction","x-ray","0.40086","synchrotron","","0.0441","0.0312","","0.0404","0.0392","","","","1.49","","","","","","","has coordinates,has Fobs","191415","2020-10-21","18:00:00",""
"2108029","7.9104","0.0009","13.8794","0.0001","7.931","0.0001","90","","114.606","0.006","90","","791.69","0.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","metformin hydrochloride","","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","PI5029","Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A.","Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent","Acta Crystallographica Section B","2017","73","1","10","22","10.1107/S2052520616017844","","","0.71073","MoKα","","0.0326","0.0226","","","0.0404","0.0422","","","","","","0.91","","","","has coordinates,has Fobs","191416","2020-10-21","18:00:00",""
"2108030","15.7522","0.0005","22.3326","0.0007","15.5213","0.0005","90","","90","","90","","5460.2","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Br F3 I3 N -","- C22 H24 Br F3 I3 N -","- C176 H192 Br8 F24 I24 N8 -","8","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0986","0.0834","","","0.1767","0.1827","","","","","","1.216","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108031","31.434","0.004","14.8275","0.0019","26.724","0.004","90","","116.034","0.007","90","","11192","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Br F3 I3 N -","- C22 H24 Br F3 I3 N -","- C352 H384 Br16 F48 I48 N16 -","16","2","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.122","0.0494","","","0.1105","0.1378","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108032","10.6026","0.0012","16.3599","0.0019","30.679","0.004","90","","97.626","0.005","90","","5274.4","1.1","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H24 Br F6 I6 N2 P -","- C47 H24 Br F6 I6 N2 P -","- C188 H96 Br4 F24 I24 N8 P4 -","4","0.5","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.1636","0.1406","","","0.3706","0.3836","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108033","22.3941","0.0015","22.3941","0.0015","22.3941","0.0015","90","","90","","90","","11230.5","1.3","200","2","200","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C88 H40 Br2 F12 I12 P2 -","- C87.996 H39.996 Br2 F12 I12 P1.9998 -","- C351.984 H159.984 Br8 F48 I48 P7.9992 -","4","0.166667","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0816","0.0621","","","0.1741","0.1912","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108034","10.5098","0.0005","16.2789","0.0007","30.9417","0.0015","90","","95.6557","0.0019","90","","5268","0.4","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H26 Br F6 I6 N2 O P -","- C49 H26 Br F6 I6 N2 O P -","- C196 H104 Br4 F24 I24 N8 O4 P4 -","4","0.5","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.07","0.0656","","","0.1523","0.1546","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108035","10.5544","0.0003","16.4031","0.0004","30.8221","0.0008","90","","96.1095","0.0012","90","","5305.8","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H26 Br F6 I6 N2 P -","- C52 H26 Br F6 I6 N2 P -","- C208 H104 Br4 F24 I24 N8 P4 -","4","0.5","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0291","0.0252","","","0.0628","0.0646","","","","","","1.006","","","","has coordinates,has Fobs","194251","2020-10-21","18:00:00",""
"2108036","10.7807","0.0005","28.8937","0.0012","14.89","0.0006","90","","93.368","0.002","90","","4630.1","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 Br F5 I3 N P -","- C45 H27 Br F5 I3 N P -","- C180 H108 Br4 F20 I12 N4 P4 -","4","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.053","0.0438","","","0.0985","0.1019","","","","","","1.186","","","","has coordinates,has Fobs","194251","2020-10-21","18:00:00",""
"2108037","10.7103","0.0004","18.0967","0.0006","13.6486","0.0005","90","","96.2767","0.0017","90","","2629.53","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Br F2 P -","- C31 H24 Br F2 P -","- C124 H96 Br4 F8 P4 -","4","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.045","0.0318","","","0.085","0.0906","","","","","","1.052","","","","has coordinates,has Fobs","194251","2020-10-21","18:00:00",""
"2108042","7.5817","0.0006","7.6752","0.0007","2.8843","0.0003","90","","90","","90","","167.84","0.03","293","","293","","","","","","","","Sigma Aldrich","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.847 O9.577 Si1.153 -","- Al3.76851 O7.5 Si0.731492 -","- Al3.76851 O7.5 Si0.731492 -","1","0.125","","Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon","Ordered vacancy distribution in 2/1 mullite: a superspace model","Acta Crystallographica Section B","2017","73","3","","","10.1107/S2052520617001652","","x-ray","0.71069","MoKα","","0.0629","0.0354","","","0.0886","0.1115","","","","1.03","1.03","0.98","","","","has coordinates,has Fobs","196647","2020-10-21","18:00:00",""
"2108043","75.817","0.0006","7.6752","0.0007","5.7686","0.0003","90","","90","","90","","3356.8","0.4","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","2/1 Mullite","","","- Al4.8 O9.6 Si1.2 -","- Al96 O192 Si24 -","- Al96 O192 Si24 -","1","0.125","","Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon","Ordered vacancy distribution in 2/1 mullite: a superspace model","Acta Crystallographica Section B","2017","73","3","","","10.1107/S2052520617001652","","","","","","","","","","","","","","","","","","","","","has coordinates","196647","2020-10-21","18:00:00",""
"2108049","19.7808","0.0013","8.9659","0.0006","6.0713","0.0004","90","","90","","90","","1076.76","0.12","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C8 H11 N2 O7.5 -","- C8 H11 N2 O7.5 -","- C32 H44 N8 O30 -","4","1","BP5095","Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Singh, Budhendra; Bdikin, Igor; Saini, Anupama; Gopalaiah, Kovuru; Kumar, Binay","Crystal structure of bis(L-asparaginium hydrogensquarate) monohydrate","Acta Crystallographica, Section B","2017","73","3","347","359","10.1107/S2052520617002906","","","0.71073","MoKα","","0.0381","0.0347","","","0.0842","0.086","","","","","","1.089","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2108050","5.062","0.0004","8.79","0.0007","12.744","0.0013","90","","90","","90","","567.04","0.09","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C2 Ca K0.36 Na1.64 O6 -","- C2 Ca K0.36 Na1.64 O6 -","- C8 Ca4 K1.44 Na6.56 O24 -","4","0.25","","Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D.","Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~","Acta Crystallographica Section B","2017","73","2","276","284","10.1107/S2052520616020680","","x-ray","0.71073","MoKα","","0.323","0.0699","","","0.0749","0.1521","","","","1.39","1.39","1.02","","","","has coordinates,has Fobs","199044","2020-10-21","18:00:00",""
"2108051","14.563","0.005","6.748","0.002","23.299","0.009","90","","90","","90","","2289.6","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H23 N3 O10 S2 -","- C20.0004 H23.0012 N3 O10 S2.0002 -","- C80.0016 H92.0048 N12 O40 S8.0008 -","4","0.5","XK5034","Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo","Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)","Acta Crystallographica Section B","2017","73","3","489","497","10.1107/S2052520617002281","","","0.71075","MoKα","","0.0637","0.0602","","","0.1319","0.1343","","","","","","1.07","","","","has coordinates,has disorder","199045","2020-10-21","18:00:00",""
"2108052","6.901","0.005","12.371","0.008","28.674","0.018","90","","90","","90","","2448","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O11 S3 -","- C20 H24 N2 O11 S3 -","- C80 H96 N8 O44 S12 -","4","1","XK5034","Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo","Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)","Acta Crystallographica Section B","2017","73","3","489","497","10.1107/S2052520617002281","","","0.71075","MoKα","","0.0838","0.0698","","","0.1701","0.1852","","","","","","1.044","","","","has coordinates,has Fobs","199045","2020-10-21","18:00:00",""
"2108053","5.1915","0.0007","11.1729","0.0014","15.037","0.002","105.837","0.006","90.773","0.006","100.81","0.005","822.28","0.19","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F4 I O2 S2 -","- C14 H13 F4 I O2 S2 -","- C28 H26 F8 I2 O4 S4 -","2","1","XM5008","Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo","Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles","Acta Crystallographica Section B","2017","73","2","240","246","10.1107/S2052520617003092","","","0.71073","MoKα","","0.0454","0.0343","","","0.0731","0.0772","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199046","2020-10-21","18:00:00",""
"2108054","7.7856","0.001","10.1191","0.0012","14.647","0.002","91.391","0.01","101.045","0.009","110.18","0.008","1057.9","0.2","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 F8 I2 N2 O4 S4 -","- C40 H36 F8 I2 N2 O4 S4 -","- C40 H36 F8 I2 N2 O4 S4 -","1","0.5","","Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo","Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles","Acta Crystallographica Section B","2017","73","2","240","246","10.1107/S2052520617003092","","","0.71073","MoKα","","0.0569","0.0383","","","0.0733","0.0792","","","","","","1.023","","","","has coordinates,has Fobs","199046","2020-10-21","18:00:00",""
"2108055","20.333","0.002","5.1356","0.0005","24.966","0.002","90","","90.909","0.006","90","","2606.7","0.4","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","GW5049","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0504","0.0404","","","0.1087","0.1171","","","","","","1.042","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108056","20.332","0.002","5.1318","0.0005","25.024","0.002","90","","90.917","0.006","90","","2610.7","0.4","140","0.1","140","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0536","0.0422","","","0.1143","0.1248","","","","","","1.073","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108057","20.296","0.007","5.1263","0.0018","25.005","0.009","90","","90.95","0.02","90","","2601.2","1.6","142","0.1","142","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0646","0.0462","","","0.1197","0.1333","","","","","","1.04","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108058","20.088","0.005","5.2242","0.0012","25.033","0.006","90","","92.308","0.016","90","","2624.9","1.1","143","0.1","143","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0676","0.0467","","","0.1195","0.1342","","","","","","1.04","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108059","20.084","0.002","5.2206","0.0006","25.04","0.003","90","","92.375","0.008","90","","2623.2","0.5","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0558","0.0429","","","0.1142","0.1245","","","","","","1.053","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108060","20.126","0.005","5.2212","0.0012","25.134","0.006","90","","92.401","0.016","90","","2638.8","1.1","200","0.1","200","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.077","0.0489","","","0.1263","0.1446","","","","","","1.018","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108061","20.161","0.004","5.218","0.0011","25.234","0.005","90","","92.559","0.014","90","","2652","0.9","250","0.1","250","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0794","0.0488","","","0.1275","0.1471","","","","","","1.037","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108062","20.246","0.002","5.2132","0.0006","25.372","0.002","90","","92.557","0.007","90","","2675.3","0.5","300","0.1","300","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.072","0.0515","","","0.1338","0.1504","","","","","","1.064","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108063","8.8638","0.001","11.1097","0.0013","11.5441","0.0013","90","","107.878","0.002","90","","1081.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H40 Cr6 N4 O36 U4 -","- C8 H40 Cr6 N4 O36 U4 -","- C8 H40 Cr6 N4 O36 U4 -","1","0.5","BP5092","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0257","0.0255","","","0.0698","0.0699","","","","","","1.109","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108064","11.0898","0.0007","10.5667","0.0007","16.2713","0.001","90","","90.109","0.001","90","","1906.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cr H2.67 K0.47 O6.67 Rb0.19 U0.67 -","- Cr H2.66667 K0.475667 O6.66667 Rb0.191 U0.666667 -","- Cr12 H32 K5.708 O80 Rb2.292 U8 -","12","3","","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0549","0.0459","","","0.1108","0.1149","","","","","","0.997","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108065","11.4334","0.0017","11.525","0.0013","18.79","0.003","90","","92.427","0.005","90","","2473.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.13 Cr0.8 N0.53 O4.53 U0.53 -","- C2.13333 Cr0.8 N0.533333 O4.53333 U0.533333 -","- C32 Cr12 N8 O68 U8 -","15","3.75","","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0448","0.0333","","","0.0742","0.0793","","","","","","1.018","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108066","11.1281","0.001","11.152","0.001","32.85","0.003","90","","90","","90","","4076.7","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H38 Cr6 N4 O35 U4 -","- C8 H38 Cr6 N4 O35 U4 -","- C32 H152 Cr24 N16 O140 U16 -","4","1","","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0563","0.049","","","0.1071","0.1108","","","","","","1.065","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108067","8.9545","0.0006","10.1012","0.0006","11.5659","0.0008","85.879","0.003","89.31","0.004","65.16","0.003","946.72","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","PS5056","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0555","0.0417","","","0.1105","0.1288","","","","","","1.097","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108068","8.9612","0.0007","10.1111","0.0008","11.5984","0.0009","85.951","0.005","89.29","0.003","65.221","0.004","951.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0529","0.0354","","","0.0947","0.1198","","","","","","1.159","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108069","8.9788","0.0011","10.1598","0.0013","11.6606","0.0015","86.014","0.005","89.423","0.005","65.463","0.004","965.1","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0689","0.0436","","","0.1183","0.1499","","","","","","1.112","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108070","9.0047","0.0011","10.2138","0.0012","11.6756","0.0014","86.394","0.004","89.775","0.005","65.652","0.004","976.1","0.2","235","2","235","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0751","0.0455","","","0.1182","0.1494","","","","","","1.135","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108071","8.9569","0.0009","10.7763","0.001","11.7042","0.0012","85.308","0.004","87.784","0.004","62.483","0.003","998.56","0.17","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.0784","0.0448","","","0.1238","0.1616","","","","","","1.111","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108072","9.008","0.0018","10.899","0.002","11.769","0.002","85.328","0.006","87.483","0.006","62.462","0.005","1021.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1138","0.0606","","","0.1463","0.1746","","","","","","0.987","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108073","20.1281","0.0007","20.1281","0.0007","8.9942","0.0003","90","","90","","120","","3155.72","0.19","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1095","0.0572","","","0.1359","0.152","","","","","","0.993","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108074","20.255","0.002","20.255","0.002","9.0132","0.001","90","","90","","120","","3202.4","0.6","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1241","0.0702","","","0.1674","0.1865","","","","","","1.005","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108075","20.3624","0.001","20.3624","0.001","9.0045","0.0005","90","","90","","120","","3233.3","0.3","175","2","175","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1447","0.0726","","","0.1862","0.2044","","","","","","1.049","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108076","20.4697","0.0014","20.4697","0.0014","9.0166","0.0006","90","","90","","120","","3271.9","0.4","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1444","0.0707","","","0.1727","0.1985","","","","","","0.889","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108077","20.688","0.003","20.688","0.003","9.0563","0.0015","90","","90","","120","","3356.7","0.9","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1516","0.0745","","","0.2007","0.2271","","","","","","1","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108078","20.0094","0.0013","20.0094","0.0013","8.8987","0.0007","90","","90","","120","","3085.5","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1283","0.0951","","","0.24","0.2564","","","","","","1.084","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108079","20.166","0.003","20.166","0.003","8.9271","0.001","90","","90","","120","","3144","0.7","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1778","0.1063","","","0.2802","0.3127","","","","","","1.037","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108080","20.243","0.005","20.243","0.005","8.933","0.005","90","0.005","90","0.005","120","0.005","3170","2","175","2","175","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1692","0.1051","","","0.2779","0.3073","","","","","","1.063","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108081","20.334","0.005","20.334","0.005","8.945","0.005","90","0.005","90","0.005","120","0.005","3203","2","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1447","0.093","","","0.2479","0.273","","","","","","1.033","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108082","20.643","0.018","20.643","0.018","9.015","0.007","90","","90","","120","","3327","5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.2478","0.1195","","","0.294","0.35","","","","","","0.869","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108083","8.8113","0.0003","10.7232","0.0005","11.522","0.0005","91.925","0.004","93.441","0.003","93.722","0.003","1083.64","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.71073","MoKα","","0.0737","0.0398","","","0.0718","0.0852","","","","","","1.046","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108084","8.807","0.0006","10.6922","0.0008","11.4658","0.0013","91.692","0.008","93.393","0.007","93.903","0.006","1074.69","0.16","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.4997","Synchrotron,monochromatic","","0.0756","0.06","","","0.1425","0.1517","","","","","","1.118","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108085","8.8725","0.0003","10.798","0.0003","11.6965","0.0004","92.641","0.002","94.358","0.003","93.791","0.002","1113.43","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","- C38 H44 Br6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.71073","MoKα","","0.0967","0.0445","","","0.0866","0.0976","","","","","","1.012","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108086","8.7762","0.0003","10.5578","0.0004","11.4878","0.0005","91.565","0.003","93.882","0.002","93.95","0.004","1058.92","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl6 Co N2 O4 -","- C38 H44 Cl6 Co N2 O4 -","- C38 H44 Cl6 Co N2 O4 -","1","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.71073","MoKα","","0.0897","0.0511","","","0.1038","0.1252","","","","","","1.035","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108087","11.455","0.004","27.777","0.01","21.823","0.009","90","","95.607","0.009","90","","6911","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H36 F16 I8 N6 -","- C66 H36 F16 I8 N6 -","- C264 H144 F64 I32 N24 -","4","0.5","AO5026","Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun","Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor","Acta Crystallographica Section B","2017","73","2","247","254","10.1107/S205252061700292X","","","0.71073","MoKα","","0.2441","0.0663","","","0.098","0.149","","","","","","0.874","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108088","7.367","0.005","11.435","0.008","25.882","0.016","90","","93.609","0.011","90","","2176","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 F4 I2 N4 -","- C54 H32 F4 I2 N4 -","- C108 H64 F8 I4 N8 -","2","0.5","","Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun","Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor","Acta Crystallographica Section B","2017","73","2","247","254","10.1107/S205252061700292X","","","0.71073","MoKα","","0.0713","0.0487","","","0.1177","0.1313","","","","","","0.99","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108089","10.5713","0.001","21.091","0.002","7.1214","0.0007","90","","108.149","0.002","90","","1508.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 Cl4 F4 I2 N4 -","- C30 H12 Cl4 F4 I2 N4 -","- C60 H24 Cl8 F8 I4 N8 -","2","0.5","","Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun","Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor","Acta Crystallographica Section B","2017","73","2","247","254","10.1107/S205252061700292X","","","0.71073","MoKα","","0.0391","0.032","","","0.0819","0.0859","","","","","","1.049","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108090","22.4519","0.0012","18.1915","0.0009","8.0879","0.0004","90","","90","","90","","3303.4","0.3","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H23 F6 I2 N3 O7 S2 -","- C27 H23 F6 I2 N3 O7 S2 -","- C108 H92 F24 I8 N12 O28 S8 -","4","0.5","XM5006","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","0.71073","MoKα","","0.0756","0.0648","","","0.1177","0.1212","","","","","","1.313","","","","has coordinates,has disorder,has Fobs","199051","2020-10-21","18:00:00",""
"2108091","9.1203","0.0011","11.3562","0.0014","13.9355","0.0018","77.294","0.004","71.958","0.004","77.39","0.004","1321.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 I2 N4 O S2 -","- C25 H20 I2 N4 O S2 -","- C50 H40 I4 N8 O2 S4 -","2","1","","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","0.71073","MoKα","","0.0736","0.0583","","","0.1445","0.1566","","","","","","1.07","","","","has coordinates,has Fobs","199051","2020-10-21","18:00:00",""
"2108092","7.727","0.0003","10.9671","0.0004","16.978","0.0007","103.375","0.002","98.725","0.002","94.093","0.002","1375.04","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.97 H17.94 Cl1.94 I2 N4 S2 -","- C24.9689 H17.9378 Cl1.9378 I2 N4 S2 -","- C49.9378 H35.8756 Cl3.8756 I4 N8 S4 -","2","1","","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","0.71073","MoKα","","0.0457","0.0314","","","0.0603","0.0641","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","199051","2020-10-21","18:00:00",""
"2108093","7.3983","0.0004","10.437","0.0005","41.8567","0.0018","90","","93.424","0.002","90","","3226.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 I8 N2 -","- C22 H16 I8 N2 -","- C88 H64 I32 N8 -","4","1","","Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.","Experimental investigation of halogen-bond hard‒soft acid‒base complementarity","Acta Crystallographica Section B","2017","73","2","203","209","10.1107/S2052520617001809","","","1.54178","CuKα","","0.057","0.0439","","","0.1027","0.1086","","","","","","1.063","","","","has coordinates,has Fobs","199051","2020-10-21","18:00:00",""
"2108094","17.891","0.005","4.586","0.003","10.941","0.004","90","","90","","90","","897.7","0.7","304","0.13","304","0.13","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C20 H28 N12 O24 S4 -","4","1","WF5131","Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek","Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate","Acta Crystallographica Section B","2017","73","3","337","346","10.1107/S2052520617001524","","","0.71073","MoKα","","0.0546","0.0376","","","0.0787","0.0877","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","199052","2020-10-21","18:00:00",""
"2108095","9.051","0.003","10.968","0.004","18.268","0.005","90","","104.35","0.03","90","","1756.9","1","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C40 H56 N24 O48 S8 -","8","4","WF5131","Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek","Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate","Acta Crystallographica Section B","2017","73","3","337","346","10.1107/S2052520617001524","","","0.71073","MoKα","","0.0229","0.0217","","","0.0516","0.0521","","","","","","1.077","","","","has coordinates,has Fobs","199052","2020-10-21","18:00:00",""
"2108096","9.589","0.004","17.193","0.008","12.241","0.006","90","","101.085","0.007","90","","1980.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 I2 O6 U -","- C14 H6 Br2 I2 O6 U -","- C56 H24 Br8 I8 O24 U4 -","4","1","AO5022","Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L.","Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO~2~‒3-bromo-5-iodobenzoic acid coordination polymer","Acta Crystallographica Section B","2017","73","2","234","239","10.1107/S2052520617001639","","","0.71073","MoKα","","0.0627","0.0487","","","0.1465","0.1542","","","","","","1.073","","","","has coordinates,has Fobs","199053","2020-10-21","18:00:00",""
"2108097","13.7266","0.0012","16.9157","0.0015","16.908","0.0014","69.7619","0.0011","69.3377","0.0011","69.3655","0.0011","3325.9","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Ni(pydcH)(pydc)](H3O)(H2O)2]","","","- C14 H14 N2 Ni2 O11 -","- C14 H14 N2 Ni O11 -","- C112 H112 N16 Ni8 O88 -","8","4","EB5059","Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.","An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2017","73","3","413","418","10.1107/S2052520617004334","","","0.71073","MoKα","","0.0203","0.0199","","","0.0549","0.0552","","","","","","1.03","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108098","27.5303","0.0018","19.6477","0.0013","13.7534","0.0009","90","","115.261","0.002","90","","6727.9","0.8","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Ni(pydcH)2](H2O)3","","- C56 H44 N8 Ni4 O44 -","- C56 H44 N8 Ni4 O44 -","- C224 H176 N32 Ni16 O176 -","4","1","","Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.","An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2017","73","3","413","418","10.1107/S2052520617004334","","","0.71073","MoKα","","0.047","0.0409","","","0.1036","0.1134","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","199054","2020-10-21","18:00:00",""
"2108099","13.6716","0.0008","10.0554","0.0006","13.7813","0.0008","90","","115.185","0.003","90","","1714.46","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ni(pydcH)(pydc)](H3O)(H2O)2]","","- C14 H12 N2 Ni O11 -","- C14 H12 N2 Ni O11.001 -","- C56 H48 N8 Ni4 O44.004 -","4","1","","Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.","An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2017","73","3","413","418","10.1107/S2052520617004334","","","0.71073","MoKα","","0.0461","0.0383","","","0.1034","0.1102","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","199054","2020-10-21","18:00:00",""
"2108100","13.6173","0.0008","14.3205","0.0009","15.4896","0.0009","77.4902","0.001","71.7418","0.001","76.5041","0.0011","2755.4","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94 -","- C55 H42.4709 Cu2.23545 N6 O17.8806 P4 V1.9448 -","- C110 H84.9418 Cu4.4709 N12 O35.7612 P8 V3.8896 -","2","1","RM5002","Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ","A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting","Acta Crystallographica Section B","2017","73","2","296","303","10.1107/S2052520617000245","","","0.71073","MoKα","","0.0543","0.0467","","","0.1147","0.1194","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","199055","2020-10-21","18:00:00",""
"2108101","29.093","0.003","7.2893","0.0008","18.672","0.002","90","","127.61","0.005","90","","3136.8","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 O14 P4 -","- C27 H32 O14 P4 -","- C108 H128 O56 P16 -","4","0.5","RM5002","Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ","A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting","Acta Crystallographica Section B","2017","73","2","296","303","10.1107/S2052520617000245","","","0.71073","MoKα","","0.0703","0.0535","","","0.1317","0.141","","","","","","1.077","","","","has coordinates,has disorder","199055","2020-10-21","18:00:00",""
"2108102","16.205","0.0005","8.7361","0.0003","16.4295","0.0005","90","","92.216","0.003","90","","2324.16","0.13","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Tris(piperazine-1,4-diium) bis(hexaiodidoantimonate(III)) pentahydrate","","- C12 H46 I12 N6 O5 Sb2 -","- C12 H46 I12 N6 O5 Sb2 -","- C24 H92 I24 N12 O10 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0555","0.0283","","","0.0527","0.0557","","","","","","0.848","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108103","16.0632","0.0009","8.6414","0.0005","16.3102","0.001","90","","91.994","0.005","90","","2262.6","0.2","85","0.5","85","0.5","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Tris(piperazine-1,4-diium) bis(hexaiodidoantimonate(III)) pentahydrate","","- C12 H46 I12 N6 O5 Sb2 -","- C12 H46 I12 N6 O5 Sb2 -","- C24 H92 I24 N12 O10 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0952","0.0412","","","0.1045","0.1094","","","","","","1.007","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108104","7.4437","0.0004","13.0949","0.0008","13.7941","0.0008","90","","95.161","0.005","90","","1339.12","0.13","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-diium bis(tetraiodidoantimonate(III)) tetrahydrate","","- C4 H20 I8 N2 O4 Sb2 -","- C4 H20 I8 N2 O4 Sb2 -","- C8 H40 I16 N4 O8 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0379","0.0244","","","0.0385","0.0417","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","199056","2020-10-21","18:00:00",""
"2108105","7.31459","0.00016","12.9482","0.0003","13.8097","0.0003","90","","94.56","0.002","90","","1303.79","0.05","85","0.5","85","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-diium bis(tetraiodidoantimonate(III)) tetrahydrate","","- C4 H20 I8 N2 O4 Sb2 -","- C4 H20 I8 N2 O4 Sb2 -","- C8 H40 I16 N4 O8 Sb4 -","2","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0304","0.0223","","","0.0363","0.0381","","","","","","1.085","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108106","6.5154","0.0006","7.4946","0.0007","8.1299","0.0006","64.759","0.009","68.019","0.008","69.5","0.009","324.27","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Piperazine-1,4-diium diiodide diiodine","","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","1","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0247","0.0221","","","0.0614","0.0632","","","","","","1.168","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108107","6.4948","0.0005","7.4032","0.0006","8.0819","0.0005","64.087","0.007","67.276","0.007","69.593","0.007","314.73","0.05","85","0.5","85","0.5","","","","","","","","4","P -1","-P 1","2","","Piperazine-1,4-diium diiodide diiodine","","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","1","0.5","EB5060","Bujak, Maciej","Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron","Acta Crystallographica Section B","2017","73","3","432","442","10.1107/S2052520617003420","","","0.71073","MoKα","","0.0241","0.0218","","","0.053","0.054","","","","","","1.15","","","","has coordinates,has Fobs","199056","2020-10-21","18:00:00",""
"2108108","8.363","0.004","9.394","0.004","21.648","0.01","78.362","0.005","88.664","0.007","83.547","0.005","1655.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N6 O11 -","- C30 H48 N6 O11 -","- C60 H96 N12 O22 -","2","1","PS5059","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","","","0.2952","Synchrotron","","0.0814","0.0731","","","0.1889","0.1953","","","","","","1.138","","","","has coordinates,has Fobs","199057","2020-10-21","18:00:00",""
"2108109","9.0367","0.0017","10.6221","0.0018","18.022","0.003","90","","102.661","0.004","90","","1687.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N6 O10 -","- C30 H46 N6 O10 -","- C60 H92 N12 O20 -","2","0.5","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","","","0.71073","MoKα","","0.1017","0.0606","","","0.1463","0.1733","","","","","","0.916","","","","has coordinates,has Fobs","199057","2020-10-21","18:00:00",""
"2108110","8.3488","0.0007","9.356","0.001","21.546","0.004","78.286","0.015","88.61","0.017","83.572","0.012","1637.6","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N6 O11 -","- C30 H48 N6 O11 -","- C60 H96 N12 O22 -","2","1","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.427488","synchrotron","","","","","","","","","0.02392","2.882","","","","","","","has coordinates","199058","2020-10-21","18:00:00",""
"2108111","9.02833","0.00016","10.6182","0.0002","18.0158","0.0004","90","","102.62","0.0014","90","","1685.35","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N6 O10 -","- C30 H46 N6 O10 -","- C60 H92 N12 O20 -","2","0.5","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.427488","synchrotron","","","","","","","","","0.04091","2.882","","","","","","","has coordinates","199058","2020-10-21","18:00:00",""
"2108112","8.3412","0.0003","9.356","0.0003","21.5561","0.0009","78.318","0.004","88.636","0.004","83.546","0.003","1636.96","0.11","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N6 O11 -","- C30 H48 N6 O11 -","- C60 H96 N12 O22 -","2","1","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.849893","synchrotron","","","","","","","","","0.0272","1.114","","","","","","","has coordinates","199059","2020-10-21","18:00:00",""
"2108113","9.0297","0.0005","10.6234","0.0006","18.0121","0.0012","90","","102.595","0.006","90","","1686.25","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N6 O10 -","- C30 H46 N6 O10 -","- C60 H92 N12 O20 -","2","0.5","","Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco","Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains","Acta Crystallographica Section B","2017","73","3","399","412","10.1107/S2052520617002505","powder diffraction","","0.849893","synchrotron","","","","","","","","","0.0371","1.114","","","","","","","has coordinates","199059","2020-10-21","18:00:00",""
"2108114","24.0549","0.0003","4.1291","0.0006","11.3361","0.0016","90","0.005","90","0.006","90","0.005","1126","0.2","297.4","","297.4","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu0.966 Pb13.196 S24 Sb6.804 -","- Cu0.956 Pb13.1548 S24 Sb6.8448 -","- Cu0.956 Pb13.1548 S24 Sb6.8448 -","1","0.125","XK5035","Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves","Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~","Acta Crystallographica Section B","2017","73","3","369","376","10.1107/S2052520617002657","","x-ray","0.71073","MoKα","","0.0682","0.0479","","","0.1076","0.1145","","","","2.21","2.21","1.97","","","","has coordinates,has Fobs","199060","2020-10-21","18:00:00",""
"2108115","7.4374","0.0009","10.2935","0.0012","16.536","0.002","105.237","0.01","101.641","0.01","95.607","0.012","1181","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 F4 I N2 O -","- C24 H29 F4 I N2 O -","- C48 H58 F8 I2 N4 O2 -","2","1","BM5091","Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo","Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study","Acta Crystallographica Section B","2017","73","2","227","233","10.1107/S2052520617003444","","","0.71073","MoKα","","0.0379","0.0301","","","0.0749","0.0795","","","","","","1.071","","","","has coordinates,has Fobs","199061","2020-10-21","18:00:00",""
"2108116","8.5802","0.0016","33.663","0.005","8.752","0.002","90","","109.255","0.016","90","","2386.5","0.8","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 F4 I N2 O -","- C24 H29 F4 I N2 O -","- C96 H116 F16 I4 N8 O4 -","4","1","","Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo","Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study","Acta Crystallographica Section B","2017","73","2","227","233","10.1107/S2052520617003444","","","0.71073","MoKα","","0.0633","0.0367","","","0.0534","0.0587","","","","","","1.047","","","","has coordinates,has Fobs","199061","2020-10-21","18:00:00",""
"2108117","8.4086","0.0005","9.787","0.0005","11.0477","0.0006","90","","90","","90","","909.17","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C12 H56 N8 O16 S8 -","4","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0427","0.0382","","","0.0905","0.093","","","","","","1.061","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108118","8.3714","0.0006","9.7607","0.001","10.9874","0.0012","90","","90","","90","","897.79","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C12 H56 N8 O16 S8 -","4","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0515","0.0443","","","0.1018","0.1078","","","","","","1.044","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108119","15.4097","0.0008","8.0868","0.0004","15.4133","0.0013","90","","108.249","0.006","90","","1824.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C24 H112 N16 O32 S16 -","8","2","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0515","0.0454","","","0.1115","0.1197","","","","","","1.046","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108120","6.0538","0.0005","8.5273","0.0006","9.3869","0.0008","73.623","0.007","82.681","0.007","84.207","0.007","460.05","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N2 O3 S2 -","- C4 H14 N2 O3 S2 -","- C8 H28 N4 O6 S4 -","2","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0725","0.0529","","","0.114","0.1335","","","","","","1.058","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108121","11.7872","0.0009","11.7872","0.0009","16.2851","0.0014","90","","90","","90","","2262.6","0.3","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H16 N2 O3.5 S2 -","- C5 H16 N2 O3.4995 S2 -","- C40 H128 N16 O27.996 S16 -","8","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0674","0.0594","","","0.1592","0.1674","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","199062","2020-10-21","18:00:00",""
"2108122","10.4922","0.001","11.1455","0.0011","11.7015","0.0012","62.299","0.007","74.938","0.008","74.082","0.008","1150.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 N2 O3 S2 -","- C6 H18 N2 O3 S2 -","- C24 H72 N8 O12 S8 -","4","2","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0857","0.0777","","","0.2308","0.2385","","","","","","1.173","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108123","5.9807","0.0005","14.139","0.001","14.2774","0.001","68.516","0.001","81.348","0.003","86.09","0.003","1110.53","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H18 F12 I6 N2 S2 -","- C42 H18 F12 I6 N2 S2 -","- C42 H18 F12 I6 N2 S2 -","1","0.5","AO5024","Wang, Hui; Jin, Wei Jun","Cocrystal assembled by 1,4-diiodotetrafluorobenzene and phenothiazine based on C—I···π/N/S halogen bond and other assisting interactions","Acta Crystallographica Section B","2017","73","2","210","216","10.1107/S2052520617002918","","","0.71073","MoKα","","0.0362","0.032","","","0.0698","0.0729","","","","","","1.088","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108124","15.3546","0.0007","5.8885","0.0003","11.9905","0.0005","90","","100.762","0.001","90","","1065.06","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","complex 1","","","- C10 H8 O8 Zn -","- C10 H8 O8 Zn -","- C40 H32 O32 Zn4 -","4","0.5","AO5021","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0203","0.0197","","","0.0517","0.052","","","","","","1.101","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2108125","16.1578","0.0011","16.5129","0.0009","21.4877","0.0013","90","","90","","90","","5733.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 2","","","- C26 H22 N2 O14 Zn2 -","- C26 H22 N2 O14 Zn2 -","- C208 H176 N16 O112 Zn16 -","8","1","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0385","0.0276","","","0.0629","0.0682","","","","","","1.044","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2108126","10.9131","0.0005","11.3385","0.0005","17.4385","0.0008","90","","94.215","0.002","90","","2151.97","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex 3","","","- C18 H24 Cd N2 O9 -","- C18 H24 Cd N2 O9 -","- C72 H96 Cd4 N8 O36 -","4","1","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0201","0.0167","","","0.0394","0.0409","","","","","","1.061","","","","has coordinates,has Fobs","281689","2023-03-07","09:04:01",""
"2108127","5.5872","0.0004","6.6969","0.0005","10.5753","0.0008","77.217","0.002","74.884","0.002","70.434","0.002","356.02","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","complex 4","","","- C10 H16 Co N0 O12 -","- C10 H16 Co O12 -","- C10 H16 Co O12 -","1","0.5","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0419","0.0404","","","0.1093","0.1106","","","","","","1.069","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2108128","16.1449","0.0007","7.8881","0.0003","11.4702","0.0005","90","","128.842","0.004","90","","1137.75","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H29 Br2 Ca O15 -","- C12 H29 Br2 Ca O15 -","- C24 H58 Br4 Ca2 O30 -","2","0.5","AO5028","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola","Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study","Acta Crystallographica Section B","2017","73","4","737","743","10.1107/S2052520617005285","","","0.71073","MoKα","","0.0406","0.0335","","","0.0716","0.076","","","","","","1.049","","","","has coordinates,has Fobs","199399","2020-10-21","18:00:00",""
"2108129","16.439","0.0012","8.024","0.0005","11.1931","0.0008","90","","128.142","0.007","90","","1161.2","0.18","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H29 Br2 O15 Sr -","- C12 H29 Br2 O15 Sr -","- C24 H58 Br4 O30 Sr2 -","2","0.5","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola","Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study","Acta Crystallographica Section B","2017","73","4","737","743","10.1107/S2052520617005285","","","0.71073","MoKα","","0.0781","0.0497","","","0.0805","0.0961","","","","","","1.002","","","","has coordinates,has Fobs","199399","2020-10-21","18:00:00",""
"2108130","7.84809","0.00013","5.89857","0.00012","14.6898","0.0003","90","","100.338","0.0018","90","","668.99","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","LC5088","Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru","Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid","Acta Crystallographica Section B","2017","73","4","626","633","10.1107/S2052520617008344","","","0.71073","MoKα","","0.0451","0.0331","","","0.0869","0.0933","","","","","","1.049","","","","has coordinates,has Fobs","199400","2020-10-21","18:00:00",""
"2108131","4.7811","0.001","5.7441","0.0009","25.353","0.005","90","","94.49","0.02","90","","694.1","0.2","100","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru","Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid","Acta Crystallographica Section B","2017","73","4","626","633","10.1107/S2052520617008344","","","0.71073","MoKα","","0.1189","0.0715","","","0.1503","0.1781","","","","","","1.033","","","","has coordinates,has Fobs","199400","2020-10-21","18:00:00",""
"2108132","3.863","0.0003","6.0337","0.0006","14.4721","0.001","91.302","0.007","93.062","0.007","92.925","0.008","336.29","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C14 H12 O4 S2 -","2","1","","Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru","Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid","Acta Crystallographica Section B","2017","73","4","626","633","10.1107/S2052520617008344","","","0.71073","MoKα","","0.054","0.0408","","","0.0952","0.1037","","","","","","1.061","","","","has coordinates,has Fobs","199400","2020-10-21","18:00:00",""
"2108133","7.446","0.0003","8.8942","0.0004","9.2799","0.0006","114.992","0.003","94.904","0.004","108.68","0.003","509.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","1","0.5","LC5076","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.0217","0.019","","","0.0551","0.0568","","","","","","1.113","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108134","16.1805","0.001","6.3567","0.0005","17.0872","0.0007","90","","116.837","0.005","90","","1568.2","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 N5 Ni S4 -","- C13 H6 N5 Ni S4 -","- C52 H24 N20 Ni4 S16 -","4","1","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.0367","0.0287","","","0.0775","0.0807","","","","","","1.283","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108135","7.5458","0.0003","9.0111","0.0007","9.2574","0.0003","115.334","0.004","95.223","0.004","108.563","0.004","520.01","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cu N6 S4 -","- C18 H12 Cu N6 S4 -","- C18 H12 Cu N6 S4 -","1","0.5","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.026","0.0222","","","0.0658","0.0675","","","","","","1.142","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108136","17.418","0.004","6.1838","0.0012","18.165","0.004","90","","126.93","0.03","90","","1564","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cu N5 S4 -","- C13 H6 Cu N5 S4 -","- C52 H24 Cu4 N20 S16 -","4","1","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.71073","MoKα","","0.0687","0.0358","","","0.0654","0.0748","","","","","","1.077","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108137","7.4307","0.0002","8.9072","0.0002","9.2445","0.0002","115.167","0.001","94.727","0.001","108.525","0.001","507.94","0.02","15","2","15","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","- C18 H12 N6 Ni S4 -","1","0.5","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.41328","","","0.0219","0.0192","","","0.0561","0.0577","","","","","","1.047","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108138","16.0654","0.0005","6.3464","0.0002","17.0333","0.0005","90","","116.606","0.001","90","","1552.77","0.08","15","2","15","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 N5 Ni S4 -","- C13 H6 N5 Ni S4 -","- C52 H24 N20 Ni4 S16 -","4","1","","Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu","Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand","Acta Crystallographica Section B","2017","73","4","634","642","10.1107/S2052520617007119","","","0.41328","","","0.0286","0.0229","","","0.0599","0.0623","","","","","","1.019","","","","has coordinates,has Fobs","199401","2020-10-21","18:00:00",""
"2108139","12.655","0.003","7.6693","0.0019","15.934","0.004","90","","106.636","0.005","90","","1481.7","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N2 O7 -","- C13 H15 Co N2 O7 -","- C52 H60 Co4 N8 O28 -","4","1","LC5089","Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.","Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction","Acta Crystallographica Section B","2017","73","4","669","674","10.1107/S2052520617008447","","","0.40651","synchrotron","","0.1163","0.058","","","0.118","0.1419","","","","","","1.013","","","","has coordinates,has Fobs","199402","2020-10-21","18:00:00",""
"2108140","12.899","0.009","7.638","0.007","16.085","0.011","90","","108.337","0.011","90","","1504","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Co N2 O6 -","- C15 H17 Co N2 O6 -","- C60 H68 Co4 N8 O24 -","4","1","","Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.","Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction","Acta Crystallographica Section B","2017","73","4","669","674","10.1107/S2052520617008447","","","0.40651","synchrotron","","0.1385","0.0859","","","0.174","0.1976","","","","","","1.106","","","","has coordinates,has Fobs","199402","2020-10-21","18:00:00",""
"2108141","12.631","0.002","7.5996","0.0014","16.109","0.003","90","","109.223","0.003","90","","1460.1","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Co N2 O5 -","- C15 H15 Co N2 O5 -","- C60 H60 Co4 N8 O20 -","4","1","","Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.","Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction","Acta Crystallographica Section B","2017","73","4","669","674","10.1107/S2052520617008447","","","0.40651","synchrotron","","0.1074","0.0722","","","0.1623","0.1788","","","","","","1.082","","","","has coordinates,has Fobs","199402","2020-10-21","18:00:00",""
"2108142","11.4405","0.0003","11.4405","0.0003","11.4405","0.0003","90","","90","","90","","1497.39","0.07","30","0.3","30","0.3","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","pyrope","","","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","PI5032","Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other","Acta Crystallographica Section B","2017","73","4","722","736","10.1107/S2052520617006102","","","0.71073","MoKα","","0.0084","0.0084","","","0.0081","0.0081","","","","","","0.7596","","","","has coordinates","199403","2020-10-21","18:00:00",""
"2108143","9.34","","19.482","","8.634","","90","","115.13","","90","","1422.35","","","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 N4 O4 S2 -","- C28 H38 N4 O4 S2 -","- C56 H76 N8 O8 S4 -","2","0.5","XF5001","Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed","When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical","Acta Crystallographica Section B","2017","73","4","544","549","10.1107/S2052520617008241","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","199404","2020-10-21","18:00:00",""
"2108144","8.8423","0.0005","12.2033","0.0016","9.1817","0.0012","90","","92.78","0.006","90","","989.59","0.19","293","2","293","2","","","1800000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.1033","0.0691","","","0.1865","0.2239","","","","","","1.052","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108145","8.7168","0.0004","11.8642","0.0013","8.8601","0.001","90","","92.569","0.005","90","","915.37","0.15","293","2","293","2","","","4350000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.0943","0.0687","","","0.1754","0.2044","","","","","","1.073","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108146","8.6563","0.0004","11.7038","0.0012","8.714","0.001","90","","92.652","0.006","90","","881.88","0.14","293","2","293","2","","","5800000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.0859","0.0635","","","0.1495","0.1734","","","","","","1.066","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108147","8.5923","0.0005","11.5463","0.0014","8.584","0.001","90","","92.826","0.006","90","","850.58","0.15","293","2","293","2","","","7950000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.086","0.0596","","","0.1321","0.153","","","","","","1.053","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108148","8.5652","0.0005","11.4704","0.0016","8.5109","0.0012","90","","92.95","0.008","90","","835.06","0.17","293","2","293","2","","","9500000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31","synchrotron","","0.0883","0.0525","","","0.1262","0.1499","","","","","","1.039","","","","has coordinates","199405","2020-10-21","18:00:00",""
"2108149","8.6187","0.0003","11.5861","0.0006","8.6105","0.0003","90","","92.788","0.003","90","","858.8","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero","Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling","Acta Crystallographica Section B","2017","73","4","584","597","10.1107/S2052520617008356","","","0.31073","","","0.138","0.068","","","","0.063","","","","","","1.798","","","","has coordinates","199406","2020-10-21","18:00:00",""
"2108150","8.063","0.0003","10.4358","0.0005","16.0092","0.0007","90","","90","","90","","1347.08","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","LC5080","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0124","0.011","","","0.0141","0.0141","","","","","","0.844","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108151","8.0754","0.0016","10.387","0.002","16","0.003","90","","90","","90","","1342.1","0.4","10","","10","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","","neutron","","0.0827","0.0811","","","0.0868","0.0885","","","","","","2.74","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108152","8.0778","0.0002","10.4023","0.0003","16.0137","0.0004","90","","90","","90","","1345.59","0.06","10","","10","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0154","0.0148","","","0.018","0.018","","","","","","0.836","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108153","8.067","0.0002","10.4871","0.0003","16.0561","0.0004","90","","90","","90","","1358.34","0.06","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0232","0.0171","","","0.0185","0.0185","","","","","","0.893","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108154","8.0835","0.0002","10.5221","0.0003","16.0738","0.0004","90","","90","","90","","1367.16","0.06","300","","300","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0336","0.0194","","","0.0222","0.0222","","","","","","1.043","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108158","5.707","0.002","4.82","0.002","11.436","0.002","90","","94.75","0.05","90","","313.5","0.18","293","2","293","2","0.5","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- H3 O4 P -","- H3 O4 P -","- H12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","","","0.71073","MoKα","","0.0989","0.072","","","0.186","0.2169","","","","","","0.982","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108159","4.619","0.005","8.479","0.017","14.38","0.03","90","","90","","90","","563.2","1.7","293","2","293","2","1.8","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- H3 O4 P -","- H3 O4 P -","- H24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","","","0.71073","MoKα","","0.169","0.1219","","","0.2702","0.3223","","","","","","1.104","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108160","5.7493","0.0005","4.83921","0.00033","11.617","0.0008","90","","95.15","0.007","90","","321.9","0.04","295","","295","","0.01","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1901","","1.13","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108161","5.6927","0.0004","4.81609","0.00027","11.4468","0.0007","90","","94.704","0.006","90","","312.77","0.03","295","","295","","0.44","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.2216","","1.27","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108162","5.6334","0.0004","4.78996","0.00032","11.3055","0.0008","90","","94.255","0.007","90","","304.22","0.04","295","","295","","0.93","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1966","","1.33","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108163","5.5686","0.0004","4.7647","0.0004","11.1762","0.0009","90","","93.81","0.007","90","","295.88","0.04","295","","295","","1.5","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.159","","1.3","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108164","5.5356","0.0005","4.7522","0.0004","11.1169","0.0009","90","","93.561","0.008","90","","291.88","0.04","295","","295","","1.79","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1683","","1.28","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108165","5.5049","0.0005","4.7401","0.0004","11.0668","0.001","90","","93.355","0.009","90","","288.28","0.04","295","","295","","2.09","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1481","","1.35","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108166","5.4357","0.0006","4.7148","0.0005","10.9698","0.0012","90","","92.874","0.011","90","","280.78","0.05","295","","295","","2.79","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1492","","1.35","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108167","5.403","0.0007","4.7036","0.0006","10.9238","0.0014","90","","92.633","0.013","90","","277.32","0.06","295","","295","","3.17","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1145","","1.36","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108168","5.7466","0.0008","4.8378","0.0007","11.6028","0.0015","90","","95.107","0.013","90","","321.29","0.08","295","","295","","0.04","","","","","","Sigma Aldrich","3","P 1 21/c 1","-P 2ybc","14","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D12 O16 P4 -","4","1","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.3058","","0.87","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108169","4.6648","0.0004","8.6057","0.0007","14.5932","0.0011","90","","90","","90","","585.83","0.08","295","","295","","0.86","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1366","","1.32","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108170","4.6494","0.0005","8.558","0.0009","14.5078","0.0014","90","","90","","90","","577.26","0.1","295","","295","","1.24","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1263","","1.34","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108171","4.6332","0.0006","8.5169","0.001","14.4323","0.0015","90","","90","","90","","569.51","0.12","295","","295","","1.65","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0979","","1.31","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108172","4.6206","0.0005","8.481","0.0009","14.388","0.0014","90","","90","","90","","563.83","0.1","295","","295","","1.97","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1002","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108173","4.6022","0.0005","8.4597","0.0009","14.3291","0.0014","90","","90","","90","","557.88","0.1","295","","295","","2.32","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1086","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108174","4.598","0.0006","8.4429","0.001","14.3036","0.0016","90","","90","","90","","555.27","0.12","295","","295","","2.45","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1559","","1.02","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108175","4.5932","0.0005","8.4323","0.0008","14.2795","0.0013","90","","90","","90","","553.06","0.09","295","","295","","2.63","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0949","","1.23","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108176","4.5868","0.0007","8.4232","0.0013","14.2653","0.0019","90","","90","","90","","551.15","0.14","295","","295","","2.78","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1234","","0.96","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108177","4.5831","0.0005","8.411","0.0009","14.2424","0.0014","90","","90","","90","","549.02","0.1","295","","295","","2.91","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0952","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108178","4.5791","0.0008","8.4031","0.0014","14.2214","0.0021","90","","90","","90","","547.22","0.15","295","","295","","3.04","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.156","","1","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108179","4.5689","0.0007","8.3733","0.0012","14.1755","0.0018","90","","90","","90","","542.31","0.13","295","","295","","3.42","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1236","","1.07","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108180","4.5639","0.0006","8.3606","0.001","14.1535","0.0015","90","","90","","90","","540.05","0.11","295","","295","","3.6","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1029","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108181","4.5599","0.0009","8.3496","0.0015","14.1332","0.0023","90","","90","","90","","538.1","0.17","295","","295","","3.74","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1292","","1.01","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108182","4.5549","0.0007","8.3362","0.0012","14.1067","0.0018","90","","90","","90","","535.64","0.13","295","","295","","3.96","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1104","","1.14","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108183","4.5456","0.0007","8.3104","0.0013","14.0631","0.0019","90","","90","","90","","531.24","0.14","295","","295","","4.36","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.106","","1.17","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108184","4.5338","0.0007","8.2726","0.0012","13.9867","0.0018","90","","90","","90","","524.59","0.13","295","","295","","5.02","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0868","","1.27","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108185","4.5214","0.0006","8.2332","0.0011","13.9189","0.0016","90","","90","","90","","518.14","0.11","295","","295","","5.66","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0562","","1.09","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108186","4.5121","0.0007","8.2009","0.0012","13.8569","0.0017","90","","90","","90","","512.75","0.13","295","","295","","6.26","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0511","","1.06","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108187","11.0366","0.0004","13.2899","0.0005","6.3763","0.0002","90","","99.548","0.002","90","","922.29","0.06","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 1alpha","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","0.5","","Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli","Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione","Acta Crystallographica Section B","2017","73","6","1172","1178","10.1107/S2052520617015591","","","0.793","neutrons","","0.126","0.0815","","","0.1867","0.2208","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","205693","2020-10-21","18:00:00",""
"2108188","6.2755","0.0002","8.6368","0.0002","8.657","0.0002","101.482","0.003","96.2307","0.0013","96.0785","0.0013","453.17","0.02","2.5","0.5","2.5","0.5","","","","","","","","4","P -1","-P 1","2","compound 1beta","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","","Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli","Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione","Acta Crystallographica Section B","2017","73","6","1172","1178","10.1107/S2052520617015591","","","0.793","neutrons","","0.146","0.1069","","","0.2514","0.2844","","","","","","1.084","","","","has coordinates,has Fobs","205693","2020-10-21","18:00:00",""
"2108189","12.1963","0.0002","7.4652","0.0002","16.4793","0.0004","90","","96.055","0.001","90","","1492.03","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) monohydrate'","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) monohydrate'","","- C4 H14 Cl4 Ir K O3 S2 -","- C4 H14 Cl4 Ir K O3 S2 -","- C16 H56 Cl16 Ir4 K4 O12 S8 -","4","1","LO5014","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","x-ray","0.71073","MoKα","","0.0302","0.0295","","","0.0613","0.0617","","","","","","1.133","","","","has coordinates,has Fobs","205694","2020-10-21","18:00:00",""
"2108190","12.753","0.0004","7.8356","0.0002","15.3277","0.0005","90","","111.581","0.002","90","","1424.29","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) 0.25-hydrate'","'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) 0.25-hydrate'","","- C4 H12.5 Cl4 Ir K O2.25 S2 -","- C4 H12.5 Cl4 Ir K O2.25 S2 -","- C16 H50 Cl16 Ir4 K4 O9 S8 -","4","1","","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","x-ray","0.71073","MoKα","","0.0602","0.0458","","","0.1099","0.1185","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","205694","2020-10-21","18:00:00",""
"2108191","19.821","0.0004","10.083","0.0002","19.572","0.0005","90","","108.657","0.002","90","","3706.01","0.15","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","'N-Butylammonium tetrachlorobis(dimethyl sulfoxide)iridate(III) hemihydrate'","'N-Butylammonium tetrachlorobis(dimethyl sulfoxide)iridate(III) hemihydrate'","","- C8 H25 Cl4 Ir N O2.5 S2 -","- C8 H25 Cl4 Ir N O2.5 S2 -","- C64 H200 Cl32 Ir8 N8 O20 S16 -","8","1","","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","","0.71073","MoKα","","0.0579","0.0508","","","0.1275","0.1324","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","205694","2020-10-21","18:00:00",""
"2108192","8.9902","0.0007","15.199","0.0014","10.7569","0.0009","90","","91.425","0.007","90","","1469.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Potassium tetrachlorobis(dimethylsulfoxide)iridate(III)","Potassium tetrachlorobis(dimethylsulfoxide)iridate(III)","","- C4 H12 Cl4 Ir K O2 S2 -","- C4 H12 Cl4 Ir K O2 S2 -","- C16 H48 Cl16 Ir4 K4 O8 S8 -","4","1","","Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia","Conformational and structural diversity of iridium dimethyl sulfoxide complexes","Acta Crystallographica Section B","2017","73","6","1032","1042","10.1107/S2052520617011490","","","0.71073","MoKα","","0.1127","0.072","","","0.1577","0.1829","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","205694","2020-10-21","18:00:00",""
"2108193","31.231","0.0018","4.7296","0.0004","9.8739","0.0005","90","","91.719","0.005","90","","1457.82","0.17","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H13 N O2 -","- C6 H12.35 N O2 -","- C48 H98.8 N8 O16 -","8","1","FX5009","Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U.","On the stacking disorder of <small>DL</small>-norleucine","Acta Crystallographica Section B","2017","73","6","1075","1084","10.1107/S2052520617012057","","","0.71073","MoKα","","0.0421","0.0381","","","0.1142","0.1172","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","205695","2020-10-21","18:00:00",""
"2108194","5.7768","0.0003","5.7768","0.0004","22.0983","0.0012","90","0.005","90","0.004","120","0.006","638.65","0.08","293","","293","","","","","","","","synthesised by authors","5","R -3 :H","-R 3","148","","","","- H7.84 K1.29 N1.71 O8 S2 -","- H7.7999 K1.3 N1.7 O8 S2 -","- H23.3997 K3.9 N5.1 O24 S6 -","3","0.166667","","Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A.","New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase","Acta Crystallographica Section B","2017","73","6","1105","1113","10.1107/S2052520617012847","","x-ray","0.71073","MoKα","","0.0272","0.0272","","","0.0382","0.0382","","","","2.46","2.46","2.46","","","","has coordinates,has Fobs","205696","2020-10-21","18:00:00",""
"2108195","8.4102","0.0002","8.4102","0.0002","36.562","0.001","90","","90","","120","","2239.61","0.1","150","2","150","2","","","","","","","synthesized by the authors","5","P 31","P 31","144","","","","- C15 H19 N2 O2.5 S -","- C15 H19 N2 O2.5 S -","- C90 H114 N12 O15 S6 -","6","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0463","0.0454","","","0.1121","0.1129","","","","","","1.073","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108196","6.2287","0.0001","8.9737","0.0003","25.9694","0.0007","90","","90","","90","","1451.55","0.07","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0404","0.0324","","","0.0688","0.0727","","","","","","1.039","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108197","7.3126","0.0001","27.1077","0.0005","7.3745","0.0001","90","","106.064","0.0011","90","","1404.75","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0429","0.0343","","","0.0787","0.0827","","","","","","1.053","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108198","9.8928","0.0002","9.0312","0.0002","16.447","0.0005","90","","97.8246","0.0015","90","","1455.76","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.051","0.039","","","0.0778","0.0824","","","","","","1.034","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108199","7.4536","0.0001","7.4603","0.0002","13.6011","0.0003","79.6877","0.0012","89.2981","0.0014","69.3688","0.0012","695.31","0.03","150","2","150","2","","","","","","","synthesized by the authors","5","P 1","P 1","1","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","2","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0309","0.0289","","","0.077","0.0785","","","","","","1.04","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108200","9.8689","0.0002","10.6838","0.0002","13.6421","0.0002","90","","90","","90","","1438.39","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0362","0.0311","","","0.0739","0.077","","","","","","1.057","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108201","7.743","0.0002","7.743","0.0002","43.5343","0.0014","90","","90","","90","","2610.06","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0344","0.0304","","","0.0732","0.0754","","","","","","1.106","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108202","10.0987","0.0004","11.0883","0.0004","12.0825","0.0005","90","","90","","90","","1352.97","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0305","0.0277","","","0.0674","0.0689","","","","","","1.068","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108203","7.7112","0.0007","11.6576","0.0012","14.8171","0.0014","90","","90","","90","","1332","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0403","0.0348","","","0.0788","0.082","","","","","","1.042","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108204","13.4996","0.0005","14.5841","0.0005","20.5461","0.0008","90","","90","","90","","4045.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C168 H192 N24 O24 S12 -","12","3","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0502","0.039","","","0.0944","0.1023","","","","","","1.064","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108205","5.1174","0.0004","7.3666","0.0004","11.7174","0.001","90","","90","","90","","441.72","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.2","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108206","4.9209","0.0004","7.1818","0.0005","11.5243","0.001","90","","90","","90","","407.28","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.089","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108207","4.8571","0.0004","7.1033","0.0005","11.4462","0.001","90","","90","","90","","394.91","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108208","4.7757","0.0004","6.993","0.0005","11.3384","0.001","90","","90","","90","","378.66","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.009","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108209","4.7321","0.0004","6.9298","0.0005","11.2798","0.0011","90","","90","","90","","369.89","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.056","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2241969","13.4874","0.0007","13.7517","0.0008","13.8397","0.0008","89.48","0.001","80.345","0.001","60.858","0.001","2202.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-(<i>E</i>)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis[dibutyltin(IV)]","","- C48 H56 N4 O4 Sn2 -","- C48.003 H56.009 N4 O4 Sn2 -","- C96.006 H112.018 N8 O8 Sn4 -","2","1","","Carlos, Camacho-Camacho; Naytzé, Ortiz-Pastrana; Ariadna, Garza-Ortiz; Irma, Rojas-Oviedo","Crystal structure of bis{μ-(<i>E</i>)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis[dibutyltin(IV)]","Acta Crystallographica Section E","2017","73","1","4","7","10.1107/S2056989016018867","","","0.71073","MoKα","","0.0392","0.032","","","0.0736","0.077","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","188822","2020-10-21","18:00:00",""
"2241973","16.2618","0.0007","11.6708","0.0005","14.7359","0.0007","90","","96.945","0.002","90","","2776.2","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6<i>E</i>,20<i>E</i>)-3,24-Difluoro-13,14,28,29-tetrahydro-5<i>H</i>,\ 22<i>H</i>-tetrabenzo[<i>e</i>,<i>j</i>,<i>p</i>,<i>u</i>] [1,4,12,15]tetraoxacyclodocosine-5,22-dione","","- C34 H26 F2 O6 -","- C34 H26 F2 O6 -","- C136 H104 F8 O24 -","4","1","","Mohamed, Shaaban K.; Akkurt, Mehmet; Hawaiz, Farouq E.; Ayoob, Mzgin M.; Hosten, Eric","Crystal structure of (6<i>E</i>,20<i>E</i>)-3,24-difluoro-13,14,28,29-tetrahydro-5<i>H</i>,22<i>H</i>-tetrabenzo[<i>e</i>,<i>j</i>,<i>p</i>,<i>u</i>][1,4,12,15]tetraoxacyclodocosine-5,22-dione","Acta Crystallographica Section E","2017","73","1","13","16","10.1107/S2056989016018934","","","0.71073","MoKα","","0.0581","0.0403","","","0.0941","0.1058","","","","","","1.014","","","","has coordinates,has Fobs","188985","2020-10-21","18:00:00",""
"2241974","12.4034","0.0004","13.2921","0.0004","15.4869","0.0004","88.828","0.003","86.336","0.003","73.586","0.003","2444.21","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis[tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis(7,7,8,8-tetracyanoquinonedimethane radical anion) bi[7,7,8,8-tetracyanoquinonedimethanide] hexahydrate","","- C108 H76 N28 Ni2 O6 -","- C108 H76 N28 Ni2 O6 -","- C108 H76 N28 Ni2 O6 -","1","0.5","ZL2686","Černák, Juraj; Kuchár, Juraj; Hegedüs, Michal","Disorder of the dimeric TCNQ‒TCNQ unit in the crystal structure of [Ni(bpy)~3~]~2~(TCNQ‒TCNQ)(TCNQ)~2~·6H~2~O (TCNQ is 7,7,8,8-tetracyanoquinodimethane)","Acta Crystallographica Section E","2017","73","1","8","12","10.1107/S2056989016019162","","","0.71073","MoKα","","0.091","0.0492","","","0.1071","0.126","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","188986","2020-10-21","18:00:00",""
"2241975","7.8783","0.0002","8.9254","0.0003","18.7372","0.0005","77.243","0.002","82.423","0.002","78.856","0.002","1255.3","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-[1-(2-Carbamothioylhydrazinylidene)ethyl]phenyl acetate","","- C11 H13 N3 O2 S -","- C11 H13 N3 O2 S -","- C44 H52 N12 O8 S4 -","4","2","SU5323","Viswanathan, Vijayan; Ananth, Mani Karthik; Narasimhan, S.; Velmurugan, Devadasan","Crystal structures of (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate","Acta Crystallographica Section E","2017","73","1","20","23","10.1107/S2056989016018983","","","0.71073","MoKα","","0.0499","0.0384","","","0.1004","0.1087","","","","","","1.032","","","","has coordinates,has Fobs","189030","2020-10-21","18:00:00",""
"2241976","7.8145","0.0004","9.7538","0.0005","10.905","0.0007","78.855","0.004","69.031","0.002","84.2","0.003","761.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-[1-(2-Carbamothioylhydrazinylidene)ethyl]phenyl benzoate","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","SU5323","Viswanathan, Vijayan; Ananth, Mani Karthik; Narasimhan, S.; Velmurugan, Devadasan","Crystal structures of (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (<i>E</i>)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate","Acta Crystallographica Section E","2017","73","1","20","23","10.1107/S2056989016018983","","","0.71073","MoKα","","0.0372","0.0339","","","0.0952","0.0988","","","","","","1.046","","","","has coordinates,has Fobs","189030","2020-10-21","18:00:00",""
"2241977","19.27","0.004","7.795","0.0016","14.834","0.003","90","","91.71","0.03","90","","2227.2","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","{(<i>S</i>)-1-Phenyl-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C22 H21 N5 S2 Zn -","- C22 H21 N5 S2 Zn -","- C88 H84 N20 S8 Zn4 -","4","1","IS5466","Lee, Dong Won; Shin, Jong Won","Crystal structure of {(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc from synchrotron data","Acta Crystallographica Section E","2017","73","1","17","19","10.1107/S2056989016019253","","","0.63","synchrotron","","0.0511","0.0393","","","0.0874","0.0933","","","","","","0.988","","","","has coordinates,has Fobs","189031","2020-10-21","18:00:00",""
"2241978","9.7997","0.0007","10.0959","0.0007","11.0401","0.0008","96.618","0.006","102.741","0.006","113.902","0.007","948.02","0.14","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-<i>N</i>-hydroxypicolinamidato)bis[bis(<i>N</i>-hydroxypicolinamide)sodium]","","- C36 H34 N12 Na2 O12 -","- C36 H34 N12 Na2 O12 -","- C36 H34 N12 Na2 O12 -","1","0.5","XU5895","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Irina V.","Crystal structure of bis(μ-<i>N</i>-hydroxypicolinamidato)bis[bis(<i>N</i>-hydroxypicolinamide)sodium]","Acta Crystallographica Section E","2017","73","1","24","27","10.1107/S2056989016019095","","","0.71073","MoKα","","0.1251","0.0635","","","0.1244","0.1435","","","","","","0.963","","","","has coordinates,has Fobs","189032","2020-10-21","18:00:00",""
"2241979","8.9387","0.0002","15.0607","0.0004","11.9235","0.0003","90","","92.949","0.001","90","","1603.05","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu cyclen](ClO4)2","(Perchlorato-κ<i>O</i>)(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)copper(II) perchlorate","","- C8 H20 Cl2 Cu N4 O8 -","- C8 H20 Cl2 Cu N4 O8 -","- C32 H80 Cl8 Cu4 N16 O32 -","4","1","ZL2687","Gray, Jessica L.; Gerlach, Deidra L.; Papish, Elizabeth T.","Crystal structure of (perchlorato-κ<i>O</i>)(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)copper(II) perchlorate","Acta Crystallographica Section E","2017","73","1","31","34","10.1107/S2056989016019563","","","0.71073","MoKα","","0.0297","0.0247","","","0.0652","0.0675","","","","","","1.022","","","","has coordinates,has Fobs","189033","2020-10-21","18:00:00",""
"2241980","12.425","0.005","13.912","0.005","17.382","0.005","90","","104.395","0.005","90","","2910.3","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>meso</i>-Di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate","","- C58 H43.62 Cd2 Cl2 N16 O2.81 -","- C58 H42 Cd2 Cl2 N16 O2.806 -","- C116 H84 Cd4 Cl4 N32 O5.612 -","2","0.5","WM5346","Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Setifi, Zouaoui; Touzani, Rachid; Glidewell, Christopher","Crystal structure of <i>meso</i>-di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate","Acta Crystallographica Section E","2017","73","1","48","52","10.1107/S205698901601971X","","","0.71073","MoKα","","0.0642","0.0434","","","0.1136","0.131","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","189159","2020-10-21","18:00:00",""
"2241981","12.0235","0.0008","13.4263","0.0007","13.6588","0.0004","90.297","0.003","98.481","0.004","110.48","0.005","2039.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-[2-(4-Chlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C96 H84 Cl4 N8 O4 -","4","2","HG5480","Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R.; Abdelhamid, Antar A.; Simpson, Jim","Crystal structure of 1-[2-(4-chlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2017","73","1","59","62","10.1107/S2056989016019332","","","1.54184","CuKα","","0.0823","0.0711","","","0.1808","0.1877","","","","","","1.092","","","","has coordinates,has Fobs","189160","2020-10-21","18:00:00",""
"2241982","11.565","0.002","8.0504","0.0016","20.665","0.004","90","","97.68","0.03","90","","1906.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-9-({[4-(Diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol","","- C23 H29 N3 O -","- C23 H29 N3 O -","- C92 H116 N12 O4 -","4","1","SU5338","Faizi, Md. Serajul Haque; Ahmad, Musheer; Kapshuk, Anatoly A.; Golenya, Irina A.","Crystal structure of (<i>E</i>)-9-({[4-(diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol","Acta Crystallographica Section E","2017","73","1","38","40","10.1107/S2056989016019733","","","0.71073","MoKα","","0.1093","0.0635","","","0.1292","0.15","","","","","","1.064","","","","has coordinates,has disorder","189161","2020-10-21","18:00:00",""
"2241983","10.6784","0.0008","8.0954","0.0006","17.9032","0.0014","90","","98.105","0.005","90","","1532.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4b,8a-Dihydro-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)-7-methyl-2<i>H</i>-chromen-2-one","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C84 H56 N8 O8 -","4","1","SU5339","Samundeeswari, S.; Kulkarni, Manohar V.; Anil Kumar, G. N.","Crystal structure of 4-(4b,8a-dihydro-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)-7-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2017","73","1","56","58","10.1107/S2056989016019769","","","0.71073","MoKα","","0.131","0.0598","","","","0.1659","","","","","","0.944","","","","has coordinates,has Fobs","189162","2020-10-21","18:00:00",""
"2241984","11.6986","0.0001","28.7847","0.0004","11.8471","0.0001","90","","106.339","0.0009","90","","3828.28","0.07","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C43 H37 Cl Cu N3 O2 P2 S -","- C43 H37 Cl Cu N3 O2 P2 S -","- C172 H148 Cl4 Cu4 N12 O8 P8 S4 -","4","1","WM5344","Nimthong-Roldán, Arunpatcha; Promsuwhan, Nichakan; Puetpaiboon, Walailak; Wattanakanjana, Yupa","Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2017","73","1","41","44","10.1107/S2056989016019368","","","0.71073","MoKα","","0.0495","0.0349","","","0.0895","0.0952","","","","","","1.104","","","","has coordinates,has Fobs","189163","2020-10-21","18:00:00",""
"2241985","6.7866","0.0004","7.1789","0.0003","14.0981","0.0005","94.098","0.003","93.461","0.004","106.154","0.004","655.75","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-3-yl 4-chlorobenzoate","","- C16 H9 Cl O4 -","- C16 H9 Cl O4 -","- C32 H18 Cl2 O8 -","2","1","HB7629","Ziki, Eric; Sosso, Siaka; Mansilla-Koblavi, Frédérica; Djandé, Abdoulaye; Kakou-Yao, Rita","Crystal structure of 2-oxo-2<i>H</i>-chromen-3-yl 4-chlorobenzoate and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","1","45","47","10.1107/S2056989016019538","","","1.54184","CuKα","","0.044","0.0387","","","0.1012","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","189164","2020-10-21","18:00:00",""
"2241986","14.1513","0.0004","7.6557","0.0002","16.9423","0.0004","90","","113.805","0.001","90","","1679.34","0.08","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[Bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido]","","- C12 H22 Cu I N2 O2 S2 -","- C12 H22 Cu I N2 O2 S2 -","- C48 H88 Cu4 I4 N8 O8 S8 -","4","1","","Chiang, Hojae; Kim, Tae Ho; Park, Hyunjin; Kim, Jineun","Crystal structure of <i>catena</i>-poly[[bis(<i>N</i>-acethylthiomorpholine-κ<i>S</i>)copper(I)]-μ-iodido]","Acta Crystallographica Section E","2017","73","1","53","55","10.1107/S2056989016019794","","","0.71073","MoKα","","0.0213","0.0183","","","0.0434","0.0445","","","","","","1.051","","","","has coordinates,has Fobs","189165","2020-10-21","18:00:00",""
"2241987","7.064","0.0001","25.2362","0.0004","7.6494","0.0001","90","","113.243","0.001","90","","1252.97","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Chlorophenyl)-5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-2-amine","","- C13 H12 Cl N5 -","- C13 H12 Cl N5 -","- C52 H48 Cl4 N20 -","4","1","LH5830","Repich, Hlib; Orysyk, Svitlana; Savytskyi, Pavlo; Pekhnyo, Vasyl","Synthesis and crystal structure of <i>N</i>-(4-chlorophenyl)-5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-2-amine","Acta Crystallographica Section E","2017","73","1","35","37","10.1107/S2056989016019629","","","0.71073","MoKα","","0.0459","0.0389","","","0.096","0.0998","","","","","","1.038","","","","has coordinates,has Fobs","189166","2020-10-21","18:00:00",""
"2241988","13.8447","0.0006","9.2316","0.0004","14.7018","0.0006","90","","99.605","0.002","90","","1852.68","0.14","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate","","- C36 H52 Cl4 Co N2 O2 -","- C36 H52 Cl4 Co N2 O2 -","- C72 H104 Cl8 Co2 N4 O4 -","2","0.5","SJ5517","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0454","0.0342","","","0.0785","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2241989","13.8066","0.0016","9.2934","0.0012","14.651","0.003","90","","99.318","0.006","90","","1855.1","0.5","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocuprate","","- C36 H52 Cl4 Cu N2 O2 -","- C36 H52 Cl4 Cu N2 O2 -","- C72 H104 Cl8 Cu2 N4 O4 -","2","0.5","","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0585","0.0391","","","0.0907","0.0999","","","","","","1.077","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2241990","12.573","0.0004","5.4443","0.0002","18.2266","0.0006","90","","97.754","0.002","90","","1236.22","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>R</i>*,3a<i>R</i>*)-2-Phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-<i>b</i>]isoxazole","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C48 H60 N4 O12 S4 -","4","1","RZ5200","Hernández, Yaiza; Marcos, Isidro; Garrido, Narciso M.; Sanz, Francisca; Diez, David","Crystal structure of (2<i>R</i>*,3a<i>R</i>*)-2-phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-<i>b</i>]isoxazole","Acta Crystallographica Section E","2017","73","1","85","87","10.1107/S2056989016019952","","","1.54178","CuKα","","0.044","0.0419","","","0.1071","0.1091","","","","","","1.04","","","","has coordinates,has Fobs","189328","2020-10-21","18:00:00",""
"2241991","16.044","0.002","16.221","0.002","15.041","0.002","90","","93.335","0.003","90","","3907.8","0.9","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[<i>cis</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(thiocyanato-κ<i>N</i>)chromium(III)] dichromate monohydrate","","- C24 H50 Cr4 N12 O8 S4 -","- C24 H50 Cr4 N12 O8 S4 -","- C96 H200 Cr16 N48 O32 S16 -","4","0.5","WM5351","Moon, Dohyun; Takase, Masahiro; Akitsu, Takashiro; Choi, Jong-Ha","Crystal structure of bis[<i>cis</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(thiocyanato-κ<i>N</i>)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data","Acta Crystallographica Section E","2017","73","1","72","75","10.1107/S2056989016020120","","","0.62","synchrotron","","0.0658","0.0462","","","0.1386","0.1475","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","189329","2020-10-21","18:00:00",""
"2241992","6.2927","0.0007","17.9903","0.0019","7.2991","0.0008","90","","95.216","0.004","90","","822.89","0.16","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3a<i>R</i>,3'a<i>R</i>,7a<i>S</i>,7'a<i>S</i>)-2,2,2',2'-Tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl]","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","RZ5201","Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Silveira, Gustavo P.; Vilela, Guilherme D.; Suescun, Leopoldo","Crystal structure and absolute configuration of (3a<i>R</i>,3'a<i>R</i>,7a<i>S</i>,7'a<i>S</i>)-2,2,2',2'-tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl], obtained from a Pd-catalyzed homocoupling reaction","Acta Crystallographica Section E","2017","73","1","81","84","10.1107/S2056989016019927","","","1.54178","CuKα","","0.0281","0.0271","","","0.0704","0.0711","","","","","","1.078","","","","has coordinates,has Fobs","189330","2020-10-21","18:00:00",""
"2241993","14.3058","0.0008","9.0983","0.0005","14.7315","0.0008","90","","100.553","0.001","90","","1885","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-Carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate","","- C20 H16 Fe I N O2 Pd -","- C20 H16 Fe I N O2 Pd -","- C80 H64 Fe4 I4 N4 O8 Pd4 -","4","1","HB7640","Verpekin, Victor V.; Kreindlin, Arkadii Z.; Semeikin, Oleg V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Chudin, Oleg S.; Ustynyuk, Nikolai A.","Crystal structure of μ-carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate","Acta Crystallographica Section E","2017","73","1","68","71","10.1107/S2056989016019915","","","0.71073","MoKα","","0.0291","0.0257","","","0.064","0.0658","","","","","","1.145","","","","has coordinates,has Fobs","189331","2020-10-21","18:00:00",""
"2241994","10.289","0.004","7.141","0.003","40.33","0.016","90","","95.164","0.007","90","","2951","2","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trichloro(3,3'-di-<i>t</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-\ biphenyl-2-ol)(tetrahydrofuran)titanium(IV)","","- C28 H41 Cl3 O3 Ti -","- C28 H41 Cl3 O3 Ti -","- C112 H164 Cl12 O12 Ti4 -","4","2","RZ5202","Kim, Yun Young; Tanski, Joseph M.","Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3'-di-<i>tert</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-biphenyl-2-olato-κ<i>O</i>^2^)(tetrahydrofuran-κ<i>O</i>)titanium(IV)","Acta Crystallographica Section E","2017","73","1","88","91","10.1107/S2056989016020156","","","0.71073","MoKα","","0.1518","0.0643","","","0.0988","0.1235","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","189332","2020-10-21","18:00:00",""
"2241995","5.88242","0.00016","20.2162","0.0005","7.7574","0.0002","90","","98.09","0.003","90","","913.33","0.04","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)","","- C12 H32 N2 O6 P2 -","- C12 H32 N2 O6 P2 -","- C24 H64 N4 O12 P4 -","2","0.5","","Reiss, Guido J.; van Megen, Martin; Frank, Walter","Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)","Acta Crystallographica Section E","2017","73","1","76","80","10.1107/S2056989016019873","","","0.71073","MoKα","","0.0568","0.0471","","","0.0938","0.0983","","","","","","1.016","","","","has coordinates,has Fobs","189333","2020-10-21","18:00:00",""
"2241996","8.7644","0.0002","9.2002","0.0003","13.1212","0.0003","105.874","0.002","95.08","0.002","115.249","0.003","894.47","0.05","93","","93","","","","","","","","","2","P -1","-P 1","2","","7,15-Bis(4-<i>tert</i>-butylphenyl)-1,9-dimethylheptazethrene","","- C50 H44 -","- C50 H44 -","- C50 H44 -","1","0.5","IS5468","Kamata, Sho; Sato, Sota; Wu, Jishan; Isobe, Hiroyuki","Crystal structure of 7,15-bis(4-<i>tert</i>-butylphenyl)-1,9-dimethylheptazethrene","Acta Crystallographica Section E","2017","73","2","99","102","10.1107/S2056989016020247","","","1.54187","CuKα","","0.0471","0.044","","","0.1284","0.1311","","","","","","1.079","","","","has coordinates,has Fobs","189992","2020-10-21","18:00:00",""
"2241997","9.4601","0.0003","6.3779","0.0002","16.7425","0.0004","90","","104.196","0.001","90","","979.32","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>R</i>,3a<i>R</i>,7a<i>R</i>)-1-{(<i>S</i>)-1-[(2<i>R</i>,5<i>S</i>)-5-(3-Hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-inden-4-one","","- C21 H36 O3 -","- C21 H36 O3 -","- C42 H72 O6 -","2","1","","Martínez, Andrea; Santalla, Hugo; Garrido, Fátima; Barry, Aliou Hamady; Gaye, Mohamed; Fall Diop, Yagamare","Crystal structure of (1<i>R</i>,3a<i>R</i>,7a<i>R</i>)-1-{(<i>S</i>)-1-[(2<i>R</i>,5<i>S</i>)-5-(3-hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-inden-4-one","Acta Crystallographica Section E","2017","73","2","115","117","10.1107/S2056989016020648","","","1.54178","CuKα","","0.0335","0.033","","","0.0961","0.0965","","","","","","1.047","","","","has coordinates,has Fobs","189994","2020-10-21","18:00:00",""
"2241998","6.4243","0.0012","31.818","0.006","7.6595","0.0014","90","","100.736","0.005","90","","1538.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-nitrophenol","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","HB7649","Faizi, Md. Serajul Haque; Haque, Ashanul; Kalibabchuk, Valentina A.","Crystal structure of (<i>E</i>)-2-{[(4-anilinophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2017","73","2","112","114","10.1107/S2056989016020673","","","0.71073","MoKα","","0.1747","0.0667","","","0.0987","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","189995","2020-10-21","18:00:00",""
"2241999","8.1468","0.0005","20.3402","0.0011","12.0155","0.0007","90","","90","","90","","1991.1","0.2","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","22,24,25-Trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","0.5","XU5896","Nguyen, Van Tuyen; Truong, Hong Hieu; Le, Tuan Anh; Soldatenkov, Anatoly T.; Thi, Tuyet Anh Dang; Tran, Thi Thanh Van; Esina, Natalia Ya.; Khrustalev, Victor N.","Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","Acta Crystallographica Section E","2017","73","2","118","121","10.1107/S2056989016020508","","","0.71073","MoKα","","0.076","0.0561","","","0.1197","0.1298","","","","","","1.018","","","","has coordinates,has Fobs","189996","2020-10-21","18:00:00",""
"2242000","11.8301","0.0007","22.3946","0.0013","13.4254","0.0008","90","","90","","90","","3556.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Di-μ-bromido-μ-{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-bis[(diethyl ether)lithium]","","- C32 H53 Br2 Li2 N3 O2 -","- C32 H53 Br2 Li2 N3 O2 -","- C128 H212 Br8 Li8 N12 O8 -","4","0.5","LH5823","Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex","Acta Crystallographica Section E","2017","73","2","122","126","10.1107/S2056989016019964","","","0.71073","MoKα","","0.0701","0.0521","","","0.1329","0.1399","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","189999","2020-10-21","18:00:00",""
"2242001","12.2546","0.0003","12.724","0.0003","15.9477","0.0005","75.8613","0.0015","68.0449","0.0015","83.22","0.0017","2235.49","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-2:3κ^4^<i>Br</i>:<i>Br</i>-bis{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';4κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-tetra-μ-isopropanolato-1:2κ^4^<i>O</i>:<i>O</i>;3:4κ^4^<i>O</i>:<i>O</i>-diisopropanolato-1κ<i>O</i>,4κ<i>O</i>-2,3-dilithium-1,4-dititanium","","- C97.5 H140 Br2 Li2 N6 O6 Ti2 -","- C66 H106 Br2 Li2 N6 O6 Ti2 -","- C66 H106 Br2 Li2 N6 O6 Ti2 -","1","0.5","","Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex","Acta Crystallographica Section E","2017","73","2","122","126","10.1107/S2056989016019964","","","1.54178","CuKα","","0.067","0.0579","","","0.1635","0.1723","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","189999","2020-10-21","18:00:00",""
"2242002","6.715","0.0006","10.9591","0.0013","11.1704","0.001","72.162","0.009","79.721","0.007","76.873","0.008","756.79","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C36 H36 Cl2 N2 O2 -","2","1","HB7647","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.0666","0.0573","","","0.1561","0.1683","","","","","","1.045","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242003","13.0578","0.0002","22.6513","0.0004","5.93756","0.00008","90","","90","","90","","1756.19","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-di-<i>p</i>-tolylpiperidin-4-one","","- C20 H22 Cl N O -","- C20 H22 Cl N O -","- C80 H88 Cl4 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.035","0.0339","","","0.0857","0.087","","","","","","1.066","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242004","13.243","0.0004","22.3945","0.0006","5.81947","0.00014","90","","90","","90","","1725.88","0.08","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-bis(4-chlorophenyl)piperidin-4-one","","- C18 H16 Cl3 N O -","- C18 H16 Cl3 N O -","- C72 H64 Cl12 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.0336","0.0319","","","0.082","0.0836","","","","","","1.02","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242005","7.9596","0.0018","8.76","0.0017","24.121","0.004","76.138","0.008","81.803","0.008","87.253","0.009","1616","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","Bis{<i>N</i>-[1-(pyridin-2-yl-κ<i>N</i>)ethyl]pyridine-4-carbohydrazonato-κ^2^<i>N</i>',<i>O</i>}nickel(II)‒2,5-dichloroterephthalic acid (1/1)","","- C34 H26 Cl2 N8 Ni O6 -","- C34 H26 Cl2 N8 Ni O6 -","- C68 H52 Cl4 N16 Ni2 O12 -","2","1","HB7631","Nakanishi, Takumi; Sato, Osamu","Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids","Acta Crystallographica Section E","2017","73","2","103","106","10.1107/S2056989016020326","","","0.71075","MoKα","","0.0569","0.0527","","","0.1256","0.1298","","","","","","1.133","","","","has coordinates,has Fobs","190001","2020-10-21","18:00:00",""
"2242006","7.874","0.0014","8.9716","0.0015","24.233","0.004","75.04","0.009","82.162","0.01","86.007","0.011","1637.3","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","Bis{<i>N</i>-[1-(pyridin-2-yl-κ<i>N</i>)ethyl]pyridine-4-carbohydrazonato-κ^2^<i>N</i>',<i>O</i>}nickel(II)‒2,5-dibromoterephthalic acid (1/1)","","- C34 H26 Br2 N8 Ni O6 -","- C34 H26 Br2 N8 Ni O6 -","- C68 H52 Br4 N16 Ni2 O12 -","2","1","HB7631","Nakanishi, Takumi; Sato, Osamu","Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids","Acta Crystallographica Section E","2017","73","2","103","106","10.1107/S2056989016020326","","","0.71075","MoKα","","0.0582","0.0505","","","0.103","0.1073","","","","","","1.141","","","","has coordinates,has Fobs","190001","2020-10-21","18:00:00",""
"2242007","11.1554","0.0008","45.224","0.003","11.5856","0.0008","90","","96.645","0.002","90","","5805.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>^1^-[(Anthracen-9-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine","","- C27 H20 N2 -","- C27 H20 N2 -","- C324 H240 N24 -","12","3","ZS2373","Faizi, Md. Serajul Haque; Haque, Ashanul; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of (<i>E</i>)-<i>N</i>^1^-[(anthracen-9-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine","Acta Crystallographica Section E","2017","73","2","137","140","10.1107/S2056989016020612","","","0.71073","MoKα","","0.0924","0.0521","","","0.1057","0.121","","","","","","1.037","","","","has coordinates,has Fobs","190358","2020-10-21","18:00:00",""
"2242008","10.7731","0.0006","13.1932","0.0006","17.0021","0.0009","104.53","0.002","96.3822","0.0016","110.836","0.0015","2131.96","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(2,2'-Bipyridyl)[2,6-bis(1-butyl-1<i>H</i>-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate","","- C39 H37 Cl F6 Ir N7 O6 S2 -","- C39 H37 Cl F6 Ir N7 O6 S2 -","- C78 H74 Cl2 F12 Ir2 N14 O12 S4 -","2","1","","Smith, Victoria I.; Nozari, Mohammad; Zeller, Matthias; Addison, Anthony W.","Crystal structure of (2,2'-bipyridyl)[2,6-bis(1-butyl-1<i>H</i>-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2017","73","2","127","132","10.1107/S205698901700010X","","","0.71073","MoKα","","0.0624","0.0418","","","0.0762","0.0814","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","190359","2020-10-21","18:00:00",""
"2242009","11.627","0.004","18.929","0.004","13.085","0.003","90","","93.67","0.02","90","","2873.9","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Amino-1-(2',3'-<i>O</i>-isopropylidene-<i>D</i>-ribityl)-1<i>H</i>-imidazole-4-carboxamide","","- C12 H20 N4 O5 -","- C12 H20 N4 O5 -","- C96 H160 N32 O40 -","8","4","SU5343","Piccialli, Vincenzo; Borbone, Nicola; Oliviero, Giorgia; Piccialli, Gennaro; D'Errico, Stefano; Centore, Roberto","5-Amino-1-(2',3'-<i>O</i>-isopropylidene-<small>D</small>-ribityl)-1<i>H</i>-imidazole-4-carboxamide: a crystal structure with <i>Z</i>' = 4","Acta Crystallographica Section E","2017","73","2","183","187","10.1107/S2056989017000500","","","0.71073","MoKα","","0.055","0.0389","","","0.08","0.0873","","","","","","1.063","","","","has coordinates,has Fobs","190477","2020-10-21","18:00:00",""
"2242010","15.7287","0.0008","16.153","0.001","20.2896","0.0008","98.782","0.004","104.35","0.004","118.407","0.006","4165.4","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~)rubidium] rubidium nonastannide","","- C54 H108 N6 O18 Rb4 Sn9 -","- C54 H108 N6 O18 Rb4 Sn9 -","- C108 H216 N12 O36 Rb8 Sn18 -","2","1","WM5352","Klein, Wilhelm; He, Haiyan; Fässler, Thomas F.","Crystal structure of tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium] rubidium nonastannide","Acta Crystallographica Section E","2017","73","2","147","151","10.1107/S2056989017000172","","","0.71073","MoKα","","0.183","0.0541","","","0.0758","0.0935","","","","","","0.622","","","","has coordinates,has Fobs","190478","2020-10-21","18:00:00",""
"2242011","11.2463","0.0007","11.2463","0.0007","33.938","0.002","90","","90","","90","","4292.5","0.5","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","Bis{(<i>S</i>)-1-[2-(diphenylphosphanyl)ferrocenyl]-(<i>R</i>)-ethyl}ammonium bromide dichloromethane monosolvate","","- C49 H48 Br Cl2 Fe2 N P2 -","- C49 H48 Br Cl2 Fe2 N P2 -","- C196 H192 Br4 Cl8 Fe8 N4 P8 -","4","1","","Zirakzadeh, Afrooz; Stöger, Berthold; Kirchner, Karl","Crystal structure of bis{(<i>S</i>)-1-[2-(diphenylphosphanyl)ferrocenyl]-(<i>R</i>)-ethyl}ammonium bromide dichloromethane monosolvate","Acta Crystallographica Section E","2017","73","2","152","154","10.1107/S2056989016020417","","","0.71073","MoKα","","0.0433","0.0324","","","0.0597","0.0625","","","","","","0.981","","","","has coordinates,has Fobs","190479","2020-10-21","18:00:00",""
"2242012","5.7504","0.0004","9.719","0.0006","12.1976","0.0007","111.196","0.002","96.759","0.002","98.497","0.002","617.69","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5-Nitroisatin-3-phenylhydrazone","(3<i>E</i>)-5-nitro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C14 H10 N4 O3 -","- C14 H10 N4 O3 -","- C28 H20 N8 O6 -","2","1","","Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Bortoluzzi, Adaílton João; de Farias, Renan Lira; de Oliveira, Adriano Bof","Crystal structure of (3<i>E</i>)-5-nitro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2017","73","2","168","172","10.1107/S2056989016020375","","","0.71073","MoKα","","0.0489","0.039","","","0.1079","0.1166","","","","","","1.026","","","","has coordinates,has Fobs","190480","2020-10-21","18:00:00",""
"2242013","7.5256","0.0002","10.2095","0.0003","15.6299","0.0004","93.99","0.001","94.679","0.001","101.089","0.002","1170.07","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.0499","0.0398","","","0.1026","0.1112","","","","","","1.026","","","","has coordinates,has Fobs","190481","2020-10-21","18:00:00",""
"2242014","10.9268","0.001","18.967","0.0014","12.2628","0.0009","90","","93.03","0.002","90","","2537.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C34 H22 O5 S -","- C34 H22 O5 S -","- C136 H88 O20 S4 -","4","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.0616","0.0392","","","0.0915","0.1053","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","190481","2020-10-21","18:00:00",""
"2242015","12.1263","0.0011","11.8009","0.0011","16.0657","0.0013","90","","100.181","0.002","90","","2262.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-oxo-3-phenyl-1,3-bis(thiophen-2-yl)-3,4-dihydronaphthalene-2-carboxylate","","- C27 H20 O3 S2 -","- C27 H20 O3 S2 -","- C108 H80 O12 S8 -","4","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.1018","0.0607","","","0.1226","0.1469","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","190481","2020-10-21","18:00:00",""
"2242016","8.691","0.0004","11.7296","0.0005","13.12","0.0006","83.922","0.001","77.829","0.001","74.064","0.001","1255.53","0.1","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[aqua(sulfato-κ<i>O</i>)hemi(μ-ethane-1,2-diol-κ^2^<i>O</i>:<i>O</i>')[μ~3~-1,3,5-tris(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^3^<i>N</i>^3^,<i>N</i>^3'^,<i>N</i>^3''^]nickel(II)] ethane-1,2-diol monosolvate monohydrate]","","- C21 H31 N6 Ni O9 S -","- C21 H31 N6 Ni O9 S -","- C42 H62 N12 Ni2 O18 S2 -","2","1","ZL2688","Zhong, Kai-Long","A new one-dimensional Ni^II^ coordination polymer with a two-dimensional supramolecular architecture","Acta Crystallographica Section E","2017","73","2","192","195","10.1107/S2056989017000470","","","0.71073","MoKα","","0.0349","0.0307","","","0.0746","0.0769","","","","","","1.05","","","","has coordinates,has Fobs","190482","2020-10-21","18:00:00",""
"2242017","6.9094","0.001","7.5828","0.0012","16.468","0.003","79.455","0.004","84.489","0.004","83.833","0.004","840.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-carboxy-1<i>H</i>-imidazol-3-ium) tetrachloridozincate monohydrate","","- C8 H12 Cl4 N4 O5 Zn -","- C8 H12 Cl4 N4 O5 Zn -","- C16 H24 Cl8 N8 O10 Zn2 -","2","1","PJ2040","Martens, Sean J.; Geiger, David K.","Structural characterization of two tetrachloridozincate salts of 4-carboxy-1<i>H</i>-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate","Acta Crystallographica Section E","2017","73","2","162","167","10.1107/S2056989017000317","","","0.71073","MoKa","","0.0287","0.0243","","","0.0618","0.0643","","","","","","1.03","","","","has coordinates,has Fobs","190483","2020-10-21","18:00:00",""
"2242018","6.9369","0.0019","6.9624","0.0015","28.483","0.008","89.524","0.009","85.622","0.009","71.202","0.008","1298.3","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","bis(4-carboxy-1<i>H</i>-imidazol-3-ium) tetrachloridozincate bis(1<i>H</i>-imidazol-3-ium-4-carboxylato) monohydrate","","- C16 H20 Cl4 N8 O9 Zn -","- C16 H20 Cl4 N8 O9 Zn -","- C32 H40 Cl8 N16 O18 Zn2 -","2","1","PJ2040","Martens, Sean J.; Geiger, David K.","Structural characterization of two tetrachloridozincate salts of 4-carboxy-1<i>H</i>-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate","Acta Crystallographica Section E","2017","73","2","162","167","10.1107/S2056989017000317","","","0.71073","MoKa","","0.072","0.0497","","","0.1235","0.1345","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","190483","2020-10-21","18:00:00",""
"2242019","4.088","0.0003","21.2246","0.0015","10.2037","0.0007","90","","99.407","0.003","90","","873.43","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate","","- C18 H20 N4 O3 S -","- C18 H20 N4 O3 S -","- C36 H40 N8 O6 S2 -","2","1","XU5898","Bahoussi, Rawia Imane; Djafri, Ahmed; Chouaih, Abdelkader; Djafri, Ayada; Hamzaoui, Fodil","Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate","Acta Crystallographica Section E","2017","73","2","173","176","10.1107/S205698901700041X","","","0.71073","MoKα","","0.044","0.036","","","0.0903","0.0943","","","","","","1.061","","","","has coordinates,has Fobs","190484","2020-10-21","18:00:00",""
"2242020","12.0421","0.0001","12.0421","0.0001","11.3925","0.0002","90","","90","","90","","1652.05","0.03","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","Sodium pentapotassium dichloride bis(dithionate)","","- Cl2 K5 Na O12 S4 -","- Cl2 K5 Na O12 S4 -","- Cl8 K20 Na4 O48 S16 -","4","","WM5357","Harrison, William T. A.; Plater, M. John","An unexpected oxidation: NaK~5~Cl~2~(S~2~O~6~)~2~ revisited","Acta Crystallographica Section E","2017","73","2","188","191","10.1107/S2056989017000494","","","0.71073","MoKα","","0.0162","0.0153","","","0.0427","0.0432","","","","","","1.059","","","","has coordinates,has Fobs","190485","2020-10-21","18:00:00",""
"2242021","6.8658","0.0001","8.7614","0.0001","7.2447","0.0001","90","","114.219","0.002","90","","397.441","0.011","123","2","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium methyldiazotate","Rubidium methyldiazotate","","- C H3 N2 O Rb -","- C H3 N2 O Rb -","- C4 H12 N8 O4 Rb4 -","4","1","PK2593","Grassl, Tobias; Korber, Nikolaus","Crystal structure of rubidium methyldiazotate","Acta Crystallographica Section E","2017","73","2","159","161","10.1107/S2056989016020429","","","0.71073","MoKα","","0.0206","0.0173","","","0.0412","0.0416","","","","","","1.039","","","","has coordinates,has Fobs","190486","2020-10-21","18:00:00",""
"2242022","11.747","0.008","9.793","0.002","17.339","0.004","90","","102.48","0.05","90","","1947.5","1.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(imidazo[1,2-<i>a</i>]pyridin-1-ium) tetrachloridocuprate(II) dihydrate","","- C14 H18 Cl4 Cu N4 O2 -","- C14 H18 Cl4 Cu N4 O2 -","- C56 H72 Cl16 Cu4 N16 O8 -","4","0.5","VN2122","Mokaddem, Sonia; Boughzala, Habib","Bis(imidazo[1,2-<i>a</i>]pyridin-1-ium) tetrachloridocuprate(II) dihydrate","Acta Crystallographica Section E","2017","73","2","196","199","10.1107/S2056989017000482","","","0.71073","MoKα","","0.0481","0.0382","","","0.1009","0.108","","","","","","1.035","","","","has coordinates,has Fobs","190487","2020-10-21","18:00:00",""
"2242023","8.3676","0.0017","13.088","0.003","6.4867","0.0013","90","","106.3","0.03","90","","681.8","0.3","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Methylsalicylaldehyde","2-Hydroxy-5-methylbenzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","LH5831","Baisch, Ulrich; Scicluna, Marie Christine; Näther, Christian; Vella-Zarb, Liana","Planar <i>versus</i> non-planar: The important role of weak C—H···O hydrogen bonds in the crystal structure of 5-methylsalicylaldehyde","Acta Crystallographica Section E","2017","73","2","155","158","10.1107/S2056989017000238","","","0.71073","MoKα","","0.0597","0.0453","","","0.1102","0.1177","","","","","","1.073","","","","has coordinates,has Fobs","190488","2020-10-21","18:00:00",""
"2242025","7.3957","0.0007","4.0932","0.0006","18.1873","0.0017","90","","90","","90","","550.57","0.11","123","2","123.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium peroxide ammonia disolvate","Rubidium peroxide ammonia disolvate","","- H6 N2 O2 Rb2 -","- H6 N2 O2 Rb2 -","- H24 N8 O8 Rb8 -","4","0.5","PJ2039","Grassl, Tobias; Korber, Nikolaus","Crystal structure of rubidium peroxide ammonia disolvate","Acta Crystallographica Section E","2017","73","2","200","202","10.1107/S2056989017000354","","","0.71073","MoKα","","0.0565","0.0499","","","0.1167","0.1183","","","","","","1.346","","","","has coordinates,has Fobs","190794","2020-10-21","18:00:00",""
"2242026","11.8807","0.0004","12.1279","0.0007","8.3962","0.0002","90","","90","","90","","1209.79","0.09","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","","- C20 H26 Fe N8 O2 -","- C20 H26 Fe N8 O2 -","- C40 H52 Fe2 N16 O4 -","2","0.25","WM5355","Tanaka, Rikako; Matsushita, Nobuyuki","Crystal structure of bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","Acta Crystallographica Section E","2017","73","2","219","222","10.1107/S2056989017000810","","","0.7107","MoKα","","0.0455","0.036","","","0.0852","0.0927","","","","","","1.108","","","","has coordinates,has Fobs","190795","2020-10-21","18:00:00",""
"2242027","24.3426","0.0018","10.4266","0.0007","7.8315","0.0006","90","","90","","90","","1987.7","0.3","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","potassium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dipotassium]","","- C6 H10 As K N O4.5 -","- C6 H10 As K N O4.5 -","- C48 H80 As8 K8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0364","0.0303","","","0.0878","0.1254","","","","","","1.231","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242028","24.4783","0.0019","10.4577","0.0009","8.0978","0.0007","90","","90","","90","","2072.9","0.3","200","1","200","1","","","","","","","","6","C m c 21","C 2c -2","36","rubidium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dirubidium]","","- C6 H10 As N O4.5 Rb -","- C6 H10 As N O4.5 Rb -","- C48 H80 As8 N8 O36 Rb8 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0371","0.032","","","0.07","0.0723","","","","","","1.026","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242029","24.65","0.003","10.4373","0.0009","8.3992","0.0007","90","","90","","90","","2160.9","0.4","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","caesium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dicaesium]","","- C6 H10 As Cs N O4.5 -","- C6 H10 As Cs N O4.5 -","- C48 H80 As8 Cs8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0467","0.0405","","","0.126","0.1597","","","","","","1.183","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242030","10.2029","0.0015","15.089","0.002","7.7814","0.0011","90","","111.545","0.004","90","","1114.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)copper(II)]-bis[μ-4-(1<i>H</i>-imidazol-1-yl)phenol]-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^]","","- C22 H22 Cu N4 O6 -","- C22 H22 Cu N4 O6 -","- C44 H44 Cu2 N8 O12 -","2","0.5","","Poyraz, Mehmet; Sarı, Musa","Crystal structure of <i>catena</i>-poly[[bis(acetato-κ<i>O</i>)copper(II)]-bis[μ-4-(1<i>H</i>-imidazol-1-yl)phenol]-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^]","Acta Crystallographica Section E","2017","73","2","209","212","10.1107/S2056989017000780","","","0.71073","MoKα","","0.0593","0.0413","","","0.0926","0.0997","","","","","","1.15","","","","has coordinates,has Fobs","190797","2020-10-21","18:00:00",""
"2242031","19.5028","0.0017","5.0553","0.0004","15.7573","0.0013","90","","90","","90","","1553.6","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","","- C14 H16 Cu2 O10 -","- C14 H16 Cu2 O10 -","- C56 H64 Cu8 O40 -","4","0.5","WM5360","van der Horn, Jitschaq A.; Lutz, Martin","Crystal structure of <i>catena</i>-poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","Acta Crystallographica Section E","2017","73","2","235","238","10.1107/S2056989017000883","","","0.71073","MoKα","","0.0741","0.038","","","0.0845","0.0975","","","","","","1.04","","","","has coordinates,has Fobs","190798","2020-10-21","18:00:00",""
"2242032","6.9633","0.0003","19.5008","0.0009","10.2031","0.0005","90","","95.196","0.002","90","","1379.78","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazin-1-ylidene]ethyl}-2<i>H</i>-pyran-2-one","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C56 H52 N12 O20 -","4","1","LH5834","Kirandeep; Husain, Ahmad; Negi, Pooja; Kumar, Girijesh; Kataria, Ramesh","Crystal structure of (<i>E</i>)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2017","73","2","223","226","10.1107/S2056989017000639","","","0.71073","MoKα","","0.052","0.0433","","","0.1161","0.1211","","","","","","1.077","","","","has coordinates,has Fobs","190799","2020-10-21","18:00:00",""
"2242033","11.9999","0.0004","6.3815","0.0002","16.1374","0.0006","90","","109.54","0.002","90","","1164.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cobalt(II) isobutyrate dihydrate","<i>catena</i>-Poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]","","- C8 H18 Co O6 -","- C8 H18 Co O6 -","- C32 H72 Co4 O24 -","4","1","ZS2371","Fischer, Andrei I.; Gurzhiy, Vladislav V.; Aleksandrova, Julia V.; Pakina, Maria I.","Crystal structure of a Co^II^ coordination polymer: <i>catena</i>-poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]","Acta Crystallographica Section E","2017","73","3","318","321","10.1107/S2056989017001360","","","0.71073","MoKα","","0.03","0.0259","","","0.0666","0.068","","","","","","1.028","","","","has coordinates","191352","2020-10-21","18:00:00",""
"2242034","8.5237","0.0003","12.7145","0.0004","13.0583","0.0005","105.022","0.003","97.347","0.003","104.866","0.002","1292.12","0.08","296","","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-nitrobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(3-cyanopyridine-κ<i>N</i>^1^)(3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","","- C52 H32 Cd2 N12 O16 -","- C52 H32 Cd2 N12 O16 -","- C52 H32 Cd2 N12 O16 -","1","0.5","WM5366","Hökelek, Tuncer; Akduran, Nurcan; Özen, Azer; Uğurlu, Güventürk; Necefoğlu, Hacali","Crystal structure of bis(μ-3-nitrobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(3-cyanopyridine-κ<i>N</i>^1^)(3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","Acta Crystallographica Section E","2017","73","3","413","416","10.1107/S2056989017002675","","","0.71073","MoKα","","0.0348","0.0293","","","0.0674","0.0722","","","","","","1.218","","","","has coordinates,has Fobs","192749","2020-10-21","18:00:00",""
"2242035","12.7972","0.0006","6.4445","0.0003","22.582","0.001","90","","98.247","0.004","90","","1843.11","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]","","- C32 H32 Cd2 N4 S8 -","- C32 H32 Cd2 N4 S8 -","- C64 H64 Cd4 N8 S16 -","2","0.5","HB7659","Suwardi, Siti Aisyah Nabilah; Lee, See Mun; Lo, Kong Mun; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(μ~2~-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)-κ^3^<i>S</i>,<i>S</i>':<i>S</i>;κ^3^<i>S</i>:<i>S</i>,<i>S</i>'-bis[(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium]: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","3","429","433","10.1107/S2056989017002705","","","0.71073","MoKα","","0.0582","0.0371","","","0.0728","0.0859","","","","","","1.045","","","","has coordinates,has Fobs","192750","2020-10-21","18:00:00",""
"2242036","8.6065","0.0008","12.1558","0.0012","23.82","0.002","90","","90","","90","","2492","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","β-Benzyl <i>DL</i>-aspartate <i>N</i>-carboxyanhydride","Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","1","SU5349","Kanazawa, Hitoshi; Inada, Aya","Crystal structure of β-benzyl <small>DL</small>-aspartate <i>N</i>-carboxyanhydride","Acta Crystallographica Section E","2017","73","3","445","447","10.1107/S2056989017003024","","","0.71075","MoKα","","0.1083","0.0468","","","0.0974","0.1153","","","","","","0.981","","","","has coordinates,has Fobs","192751","2020-10-21","18:00:00",""
"2242037","8.3736","0.0004","11.7694","0.0005","15.5623","0.0008","90","","93.251","0.001","90","","1531.23","0.13","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,7-Dimethoxy-1-(4-nitrophenyl)quinolin-4(1<i>H</i>)-one","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","SU5354","Lien, Vegard Torp; Olberg, Dag Erlend; Klaveness, Jo; Görbitz, Carl Henrik","Crystal structure of 6,7-dimethoxy-1-(4-nitrophenyl)quinolin-4(1<i>H</i>)-one: a molecular scaffold for potential tubulin polymerization inhibitors","Acta Crystallographica Section E","2017","73","3","441","444","10.1107/S2056989017002948","","","0.71073","MoKα","","0.0684","0.047","","","0.1155","0.1272","","","","","","1.029","","","","has coordinates,has Fobs","192752","2020-10-21","18:00:00",""
"2242038","10.125","0.005","10.325","0.005","17.419","0.005","76.583","0.005","83.238","0.005","85.777","0.005","1756.9","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)","","- C38 H48 N2 O4 Ru -","- C38 H48 N2 O4 Ru -","- C76 H96 N4 O8 Ru2 -","2","1","IS5467","Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)","Acta Crystallographica Section E","2017","73","3","459","462","10.1107/S205698901700281X","","","0.71073","MoKα","","0.0782","0.0505","","","0.1269","0.142","","","","","","1.021","","","","has coordinates,has Fobs","192753","2020-10-21","18:00:00",""
"2242039","6.9956","0.0005","8.8589","0.0006","12.0938","0.0009","93.98","0.006","106.603","0.007","102.133","0.006","695.46","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,10-Dimethoxy-13-methyl-6<i>H</i>,12<i>H</i>-6,12-epiminodibenzo[<i>b</i>,<i>f</i>][1,5]dioxocine","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","HG5482","Kasyanova, Katerina V.; Kokozay, Vladimir N.; Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of 4,10-dimethoxy-13-methyl-6<i>H</i>,12<i>H</i>-6,12-epiminodibenzo[<i>b</i>,<i>f</i>][1,5]dioxocine","Acta Crystallographica Section E","2017","73","3","410","412","10.1107/S2056989017002328","","","1.54184","CuKα","","0.0459","0.0406","","","0.1139","0.1206","","","","","","1.065","","","","has coordinates,has Fobs","192754","2020-10-21","18:00:00",""
"2242040","6.9573","0.0006","23.465","0.002","8.3435","0.0007","90","","100.79","0.01","90","","1338","0.2","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bromo hydroxy seselin","<i>rac</i>-(9<i>S</i>,10<i>R</i>)-9-Bromo-10-hydroxy-8,8-dimethyl-9,10-dihydro-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>]chromen-2-one","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","Bauri, A. K.; Foro, Sabine; Rahman, A. F. M. Mustafizur","Crystal structure of a photobiologically active brominated angular pyranocoumarin: bromo-hydroxy-seselin","Acta Crystallographica Section E","2017","73","3","453","455","10.1107/S2056989017002808","","","0.71073","MoKα","","0.0733","0.0628","","","0.1932","0.2019","","","","","","1.124","","","","has coordinates,has Fobs","192755","2020-10-21","18:00:00",""
"2242041","22.8887","0.0014","13.883","0.0008","21.1396","0.0012","90","","90","","90","","6717.4","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[di(bromido/chlorido)mercury(II)]-μ-2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C34 H42 Br1.52 Cl0.48 Hg N4 -","- C34 H42 Br1.515 Cl0.485 Hg N4 -","- C272 H336 Br12.12 Cl3.88 Hg8 N32 -","8","2","ZL2695","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzo[<i>d</i>]imidazole)","Acta Crystallographica Section E","2017","73","3","423","428","10.1107/S2056989017002183","","","1.54184","CuKα","","0.0315","0.0294","","","0.0665","0.0691","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","192756","2020-10-21","18:00:00",""
"2242042","10.167","0.002","13.482","0.003","13.377","0.003","90","","100.838","0.019","90","","1800.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-2,3,5,6-tetrakis[(methylsulfanyl)\ methyl]pyrazine] nitrate]","","- C12 H20 Ag N3 O3 S4 -","- C12 H20 Ag N3 O3 S4 -","- C48 H80 Ag4 N12 O12 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0649","0.0555","","","0.1486","0.1605","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","192757","2020-10-21","18:00:00",""
"2242043","11.8437","0.0014","18.5674","0.0014","7.8444","0.0012","90","","96.856","0.011","90","","1712.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-nitrato-bis{μ-2,3,5,6-tetrakis[(phenylsulfanyl)methyl]pyrazine}disilver]","","- C32 H28 Ag2 N4 O6 S4 -","- C32 H28 Ag2 N4 O6 S4 -","- C64 H56 Ag4 N8 O12 S8 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0595","0.0445","","","0.0909","0.1","","","","","","1.159","","","","has coordinates,has Fobs","192757","2020-10-21","18:00:00",""
"2242044","13.6319","0.0009","16.2211","0.001","15.7201","0.0011","90","","96.607","0.008","90","","3453","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[trinitrato{μ~6~-2,3,5,6-tetrakis[(pyridin-2-ylsulfanyl)methyl]pyrazine}trisilver(I)]","","- C28 H24 Ag3 N9 O9 S4 -","- C28 H24 Ag3 N9 O9 S4 -","- C112 H96 Ag12 N36 O36 S16 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0735","0.0303","","","0.0468","0.0518","","","","","","0.755","","","","has coordinates,has Fobs","192757","2020-10-21","18:00:00",""
"2242045","4.8731","0.0003","6.2429","0.0004","8.013","0.0005","73.346","0.006","89.701","0.005","89.698","0.005","233.54","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Lithium gallium borate","Trilithium gallium bis(orthoborate)","","- B2 Ga Li3 O6 -","- B2 Ga Li3 O6 -","- B4 Ga2 Li6 O12 -","2","1","WM5356","Smith, Robert W.; Holman, Darien; Villa, Eric M.","Crystal structure of Li~3~Ga(BO~3~)~2~","Acta Crystallographica Section E","2017","73","3","456","458","10.1107/S205698901700295X","","","0.71073","MoKα","","0.0326","0.0279","","","0.0641","0.0667","","","","","","1.09","","","","has coordinates,has Fobs","192758","2020-10-21","18:00:00",""
"2242046","19.8418","0.0014","8.2554","0.0006","28.454","0.002","90","","97.838","0.001","90","","4617.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,2,2-Tetraisopropyl-1,2-diphenyldisilane","","- C24 H38 Si2 -","- C24 H38 Si2 -","- C192 H304 Si16 -","8","2","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0471","0.0363","","","0.0886","0.0959","","","","","","1.033","","","","has coordinates,has Fobs","192759","2020-10-21","18:00:00",""
"2242047","8.8779","0.0007","10.4042","0.0008","29.699","0.002","90","","90.975","0.001","90","","2742.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,2,2-Tetrabromoisopropyl-1,2-diphenyldisilane","","- C24 H34 Br4 Si2 -","- C24 H34 Br4 Si2 -","- C96 H136 Br16 Si8 -","4","1","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0434","0.0283","","","0.0574","0.0623","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","192759","2020-10-21","18:00:00",""
"2242048","8.5622","0.0005","10.2107","0.0006","15.4586","0.001","90","","95.452","0.001","90","","1345.37","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Di-<i>tert</i>-butyl-1,1,2,2-tetraphenyldisilane","","- C32 H38 Si2 -","- C32 H38 Si2 -","- C64 H76 Si4 -","2","0.5","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0418","0.0344","","","0.0875","0.092","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","192759","2020-10-21","18:00:00",""
"2242049","26.2427","0.0004","26.2427","0.0004","15.1639","0.0003","90","","90","","90","","10443.1","0.3","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","<i>N</i>-{4-(3-Chloro-4-fluoroanilino)-7-[(tetrahydrofuran-3-yl)oxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide‒acetonitrile‒water (2/1/8)","","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C392 H476 Cl16 F16 N84 O80 -","8","1","SU5351","Zeller, Matthias; de Araujo, Gabriel Lima Barros; Parker, Trev; Singh Rai, Amrinder; Byrn, Stephen R.","A new solvate of afatinib, a specific inhibitor of the ErbB family of tyrosine kinases","Acta Crystallographica Section E","2017","73","3","417","422","10.1107/S2056989017002626","","","1.54178","CuKα","","0.0749","0.0492","","","0.1072","0.1216","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","192760","2020-10-21","18:00:00",""
"2242050","6.737","0.002","10.773","0.003","13.574","0.003","90","","90","","90","","985.2","0.5","298","2","298","2","","","","","","","","5","I b m m","-I 2c 2c","74","","Potassium nickel diiron(III) tris[arsenate(V)]","","- As3 Fe2 K1.25 Ni0.88 O12 -","- As3 Fe2 K1.25 Ni0.875 O12 -","- As12 Fe8 K5 Ni3.5 O48 -","4","0.25","VN2121","Ben Smail, Ridha; Zid, Mohamed Faouzi","K~1+2<i>x~</i>Ni~1{-~<i>x</i>}Fe~2~(AsO~4~)~3~ (<i>x</i> = 0,125): un nouvel arséniate à structure de type α-CrPO~4~","Acta Crystallographica Section E","2017","73","2","239","245","10.1107/S2056989017000950","","","0.71073","MoKα","","0.0308","0.0284","","","0.0872","0.0888","","","","","","1.102","","","","has coordinates,has Fobs","193925","2020-10-21","18:00:00",""
"2242051","7.1021","0.0004","18.0761","0.0008","10.8809","0.0007","90","","108.877","0.007","90","","1321.74","0.14","148","2","148","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Di-<i>n</i>-butylbis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']tin(IV)","","- C18 H38 N2 O2 S4 Sn -","- C18 H38 N2 O2 S4 Sn -","- C36 H76 N4 O4 S8 Sn2 -","2","0.5","HB7654","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul F.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Di-<i>n</i>-butylbis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']tin(IV): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","2","260","265","10.1107/S2056989017001098","","","0.71073","MoKα","","0.032","0.0272","","","0.0688","0.0717","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","193926","2020-10-21","18:00:00",""
"2242052","25.1895","0.0016","6.9411","0.0004","8.9697","0.0006","90","","90.943","0.004","90","","1568.08","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(naphthalen-1-yl)acetamide","","- C16 H15 N5 O S -","- C16 H15 N5 O S -","- C64 H60 N20 O4 S4 -","4","1","SU5347","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2017","73","2","306","309","10.1107/S2056989017001293","","","0.71073","MoKα","","0.1137","0.0515","","","0.1198","0.1533","","","","","","0.983","","","","has coordinates,has Fobs","193927","2020-10-21","18:00:00",""
"2242053","21.7358","0.0007","7.3726","0.0003","8.4487","0.0003","90","","93.092","0.001","90","","1351.93","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-fluorophenyl)acetamide","","- C12 H12 F N5 O S -","- C12 H12 F N5 O S -","- C48 H48 F4 N20 O4 S4 -","4","1","SU5347","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2017","73","2","306","309","10.1107/S2056989017001293","","","0.71073","MoKα","","0.0443","0.0371","","","0.1026","0.1094","","","","","","1.054","","","","has coordinates,has Fobs","193927","2020-10-21","18:00:00",""
"2242054","12.8756","0.0008","13.3719","0.0008","15.9033","0.001","90","","90","","90","","2738.1","0.3","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","IrCl(1,5-cod)~2~","Chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","","- C16 H24 Cl Ir -","- C16 H24 Cl Ir -","- C128 H192 Cl8 Ir8 -","8","1","WM5359","Rahman, A. K. Fazlur; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.","Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","Acta Crystallographica Section E","2017","73","2","273","277","10.1107/S2056989017000809","","","0.71073","MoKα","","0.0619","0.0347","","","0.0642","0.0721","","","","","","1.005","","","","has coordinates,has Fobs","193928","2020-10-21","18:00:00",""
"2242055","11.639","0.003","9.224","0.002","11.423","0.003","90","","105.211","0.003","90","","1183.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]","","- C18 H20 Cl4 Cu2 N4 O8 -","- C18 H20 Cl4 Cu2 N4 O8 -","- C36 H40 Cl8 Cu4 N8 O16 -","2","0.5","WM5354","Inah, Bassey Enyi; Ayi, Ayi Anyama; Adhikary, Amit","Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]","Acta Crystallographica Section E","2017","73","2","246","249","10.1107/S2056989017001013","","","0.71073","MoKα","","0.0522","0.0394","","","0.1125","0.1265","","","","","","0.861","","","","has coordinates,has Fobs","193929","2020-10-21","18:00:00",""
"2242056","8.2468","0.0003","9.8783","0.0004","15.1039","0.0006","96.144","0.002","105.172","0.002","95.75","0.002","1170.14","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 2-((2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-2-{(<i>E</i>)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate","","- C22 H25 N3 O7 S -","- C22 H25 N3 O7 S -","- C44 H50 N6 O14 S2 -","2","1","XU5897","N'ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Auhmani, Abdelwahed; Daran, Jean-Claude","Crystal structure of dimethyl 2-((2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-2-{(<i>E</i>)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate","Acta Crystallographica Section E","2017","73","2","296","299","10.1107/S2056989017001190","","","0.71073","MoKα","","0.0657","0.0551","","","0.1193","0.1233","","","","","","1.223","","","","has coordinates,has disorder,has Fobs","193930","2020-10-21","18:00:00",""
"2242057","16.0754","0.0019","11.8602","0.001","18.495","0.002","90","","115.503","0.013","90","","3182.6","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-Tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","","- C32 H28 N10 O4 -","- C32 H28 N10 O4 -","- C128 H112 N40 O16 -","4","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide and <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2017","73","2","300","305","10.1107/S205698901700127X","","","0.71073","MoKα","","0.1633","0.0543","","","0.1032","0.1289","","","","","","0.719","","","","has coordinates,has Fobs","193931","2020-10-21","18:00:00",""
"2242058","9.8592","0.0006","10.6511","0.0006","14.8089","0.0009","90","","102.306","0.007","90","","1519.37","0.16","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-Tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","","- C32 H28 N10 O4 -","- C32 H28 N10 O4 -","- C64 H56 N20 O8 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide and <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2017","73","2","300","305","10.1107/S205698901700127X","","","0.71073","MoKα","","0.0846","0.0508","","","0.1219","0.1338","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","193931","2020-10-21","18:00:00",""
"2242059","11.0318","0.0013","10.4108","0.0013","7.1659","0.0008","90","","96.734","0.01","90","","817.32","0.17","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-nitro-1<i>H</i>-pyrrole-2-carboxylate","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0928","0.0733","","","0.1946","0.2098","","","","","","1.169","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242060","7.8839","0.0004","16.1443","0.0007","10.2058","0.0005","90","","104.472","0.005","90","","1257.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-nitro-1-(4-pentynyl)-1<i>H</i>-pyrrole-2-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0588","0.0413","","","0.0885","0.0995","","","","","","1.031","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242061","17.5744","0.0007","11.3718","0.0006","8.7299","0.0004","90","","92.076","0.004","90","","1743.55","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(Dimethylamino)propyl]-1-isopentyl-4-nitro-1<i>H</i>-pyrrole-2-carboxamide","","- C15 H26 N4 O3 -","- C15 H26 N4 O3 -","- C60 H104 N16 O12 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0778","0.0531","","","0.1266","0.1447","","","","","","1.026","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242062","11.2809","0.0004","16.4528","0.0006","12.513","0.0005","90","","106.542","0.004","90","","2226.32","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Azidopropyl)-4-(1-methyl-4-nitro-1<i>H</i>-pyrrole-2-carboxamido)-<i>N</i>-[2-(morpholin-4-yl)ethyl]-1<i>H</i>-pyrrole-2-carboxamide","","- C20 H27 N9 O5 -","- C20 H27 N9 O5 -","- C80 H108 N36 O20 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0882","0.0494","","","0.109","0.1282","","","","","","1.027","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242063","16.565","0.003","18.474","0.004","14.606","0.003","90","","90","","90","","4469.8","1.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","μ~6~-Chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","","- C29 H24 Cl10 Cu6 N18 O2 -","- C29 H24 Cl10 Cu6 N18 O2 -","- C116 H96 Cl40 Cu24 N72 O8 -","4","0.5","WM5353","Shi, Kaige; Mathivathanan, Logesh; Raptis, Raphael G.","Crystal structure of μ~6~-chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","Acta Crystallographica Section E","2017","73","2","266","269","10.1107/S2056989017001189","","","0.71073","MoKα","","0.0533","0.041","","","0.1096","0.119","","","","","","1.078","","","","has coordinates,has Fobs","193933","2020-10-21","18:00:00",""
"2242064","8.925","0.0011","9.7342","0.0012","10.0844","0.0012","66.438","0.005","75.636","0.005","63.585","0.005","716.58","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","1","0.5","RZ5204","Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman","Crystal structure of the <i>cis</i> and <i>trans</i> polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","Acta Crystallographica Section E","2017","73","2","310","313","10.1107/S2056989017001347","","","0.71073","MoKα","","0.0393","0.0355","","","0.0858","0.0876","","","","","","1.075","","","","has coordinates,has Fobs","193934","2020-10-21","18:00:00",""
"2242065","16.148","0.0007","11.6519","0.0005","15.6329","0.0008","90","","90","","90","","2941.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-Bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","- C128 H64 N8 O32 Re8 S8 -","4","0.5","","Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman","Crystal structure of the <i>cis</i> and <i>trans</i> polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[<i>fac</i>-tricarbonylrhenium(I)]","Acta Crystallographica Section E","2017","73","2","310","313","10.1107/S2056989017001347","","","0.71073","MoKα","","0.0358","0.0269","","","0.0569","0.0601","","","","","","1.071","","","","has coordinates,has Fobs","193934","2020-10-21","18:00:00",""
"2242066","20.1864","0.0013","10.2997","0.0006","23.832","0.002","90","","108.004","0.003","90","","4712.4","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Dinitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) nitrate dimethoxyethane hemisolvate","","- C14 H33 N3 O16 Tb -","- C14 H33 N3 O16 Tb -","- C112 H264 N24 O128 Tb8 -","8","1","HB7653","Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane","Acta Crystallographica Section E","2017","73","2","278","285","10.1107/S2056989017001116","","","0.71073","MoKα","","0.029","0.0182","","","0.0341","0.0358","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","193935","2020-10-21","18:00:00",""
"2242067","9.144","0.0006","12.787","0.0007","19.7151","0.0012","90","","101.796","0.002","90","","2256.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquanitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) dinitrate","","- C12 H30 N3 O16 Tb -","- C12 H30 N3 O16 Tb -","- C48 H120 N12 O64 Tb4 -","4","1","HB7653","Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane","Acta Crystallographica Section E","2017","73","2","278","285","10.1107/S2056989017001116","","","0.71073","MoKα","","0.0123","0.012","","","0.0292","0.0294","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","193935","2020-10-21","18:00:00",""
"2242068","8.4125","0.0016","14.492","0.003","7.4679","0.0014","90","","116.053","0.004","90","","817.9","0.3","243","2","243.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","poly[bis(mu2-dicyanoargentato(I))bis(dimethylsulfoxide)iron(II)]","Poly[tetra-μ~2~-cyanido-1:2κ^8^<i>N</i>:<i>C</i>-bis(dimethyl sulfoxide-1κ<i>O</i>)diargentate(I)iron(II)]","","- C8 H12 Ag2 Fe N4 O2 S2 -","- C8 H12 Ag2 Fe N4 O2 S2 -","- C16 H24 Ag4 Fe2 N8 O4 S4 -","2","0.5","XU5899","Kucheriv, Olesia I.; Naumova, Dina D.; Tokmenko, Inna I.; Polunin, Ruslan A.; Terebilenko, Kateryna V.","Crystal structure of poly[tetra-μ~2~-cyanido-1:2κ^8^<i>N</i>:<i>C</i>-bis(dimethyl sulfoxide-1κ<i>O</i>)diargentate(I)iron(II)]","Acta Crystallographica Section E","2017","73","2","270","272","10.1107/S2056989017001049","","","0.71073","MoKα","","0.0404","0.0312","","","0.0614","0.0708","","","","","","1.162","","","","has coordinates,has Fobs","193936","2020-10-21","18:00:00",""
"2242069","5.7442","0.0001","7.5022","0.0001","14.6644","0.0002","91.496","0.001","95.517","0.001","102.371","0.001","613.708","0.016","100","2","100","","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ^2^<i>S</i>,<i>S</i>')rhenium(I)","","- C8 H9 N2 O3 Re S2 -","- C8 H9 N2 O3 Re S2 -","- C16 H18 N4 O6 Re2 S4 -","2","1","HB7651","Tan, Sang Loon; Lee, See Mun; Heard, Peter J.; Halcovitch, Nathan R.; Tiekink, Edward R. T.","<i>fac</i>-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ^2^<i>S</i>,<i>S</i>')rhenium(I): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","2","213","218","10.1107/S2056989017000755","","","0.71073","MoKα","","0.0165","0.0155","","","0.0349","0.0352","","","","","","1.087","","","","has coordinates,has Fobs","193937","2020-10-21","18:00:00",""
"2242070","11.1342","0.0002","10.233","0.0002","23.399","0.0005","90","","102.724","0.001","90","","2600.52","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Tetralone 4-ethylthiosemicarbazone","<i>N</i>-Ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C104 H136 N24 S8 -","8","2","","de Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; de Farias, Renan Lira; Feitoza, Bárbara Regina Santos","Crystal structure of <i>N</i>-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","2","291","295","10.1107/S2056989017001311","","","0.71073","MoKα","","0.0627","0.0437","","","0.1069","0.1164","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","193938","2020-10-21","18:00:00",""
"2242071","6.2405","0.0004","9.9975","0.0006","20.7815","0.0013","90","","93.097","0.002","90","","1294.65","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Chalcone-Thiophene","(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","RZ5205","de Oliveira, Gabriela Porto; Bresolin, Leandro; Flores, Darlene Correia; de Farias, Renan Lira; de Oliveira, Adriano Bof","Crystal structure of (2<i>E</i>)-3-[4-(dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","4","476","480","10.1107/S2056989017003437","","","0.71073","MoKα","","0.0735","0.0676","","","0.1788","0.1823","","","","","","1.141","","","","has coordinates,has Fobs","194088","2020-10-21","18:00:00",""
"2242072","18.2743","0.0012","7.4835","0.0005","19.8021","0.0012","90","","90","","90","","2708.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","1","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of <i>N</i>-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and <i>N</i>-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.0971","0.0502","","","0.1341","0.161","","","","","","1.081","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242073","18.22","0.002","8.118","0.0012","19.628","0.002","90","","108.761","0.008","90","","2748.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","2","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of <i>N</i>-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and <i>N</i>-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.122","0.0499","","","0.1204","0.1549","","","","","","0.958","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242074","6.64","0.0005","10.8089","0.0009","12.8818","0.001","103.43","0.007","98.467","0.007","91.912","0.007","887.26","0.13","100","2","100","","","","","","","","","4","P -1","-P 1","2","Tricyclohexylphosphane sulfide","Tricyclohexyl-λ^5^-phosphanethione","","- C18 H33 P S -","- C18 H33 P S -","- C36 H66 P2 S2 -","2","1","HB7665","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","493","499","10.1107/S205698901700353X","","","0.71073","MoKα","","0.0418","0.0367","","","0.0929","0.0969","","","","","","1.009","","","","has coordinates,has Fobs","194185","2020-10-21","18:00:00",""
"2242075","7.5177","0.0004","9.8339","0.0006","12.1951","0.0007","94.387","0.001","94.552","0.001","91.578","0.001","895.57","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-<i>N</i>-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2<i>Z</i>)-3-carboxyacrylate","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","HB7663","Kvyatkovskaya, Elisaveta A.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Interaction between maleic acid and <i>N</i>-<i>R</i>-furfurylamines: crystal structure of 2-methyl-<i>N</i>-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2<i>Z</i>)-3-carboxyacrylate and <i>N</i>-[(5-iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2<i>Z</i>)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2017","73","4","515","519","10.1107/S2056989017003541","","","0.71073","MoKα","","0.1013","0.053","","","0.1044","0.1215","","","","","","1.004","","","","has coordinates,has Fobs","194252","2020-10-21","18:00:00",""
"2242076","5.7501","0.0012","28.272","0.006","9.6402","0.0019","90","","93.17","0.03","90","","1564.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(5-Iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2<i>Z</i>)-3-carboxyprop-2-enoate","","- C13 H18 I N O5 -","- C13 H18 I N O5 -","- C52 H72 I4 N4 O20 -","4","1","HB7663","Kvyatkovskaya, Elisaveta A.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Interaction between maleic acid and <i>N</i>-<i>R</i>-furfurylamines: crystal structure of 2-methyl-<i>N</i>-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2<i>Z</i>)-3-carboxyacrylate and <i>N</i>-[(5-iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2<i>Z</i>)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2017","73","4","515","519","10.1107/S2056989017003541","","","0.9699","synchrotron","","0.0469","0.04","","","0.0942","0.0998","","","","","","1.019","","","","has coordinates,has Fobs","194252","2020-10-21","18:00:00",""
"2242077","3.871","0.001","6.553","0.001","15.292","0.001","92.773","0.003","94.656","0.003","99.627","0.002","380.42","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Pigment Red 254","3,6-Bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","1","0.5","LH5832","Ivashevskaya, Svetlana N.","Crystal structure of Pigment Red 254 from X-ray powder diffraction data","Acta Crystallographica Section E","2017","73","4","507","510","10.1107/S2056989017003309","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.149","","","","","","","has coordinates,has Fobs","194253","2020-10-21","18:00:00",""
"2242078","7.7529","0.0003","12.0281","0.0004","13.8043","0.0005","90","","97","0.002","90","","1277.69","0.08","100.02","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricaesium citrate monohydrate","Tricaesium citrate monohydrate","","- C6 H7 Cs3 O8 -","- C6 H7 Cs3 O8 -","- C24 H28 Cs12 O32 -","4","1","VN2126","Rammohan, Alagappa; Sarjeant, Amy A.; Kaduk, James A.","Tricaesium citrate monohydrate, Cs~3~C~6~H~5~O~7~·H~2~O: crystal structure and DFT comparison","Acta Crystallographica Section E","2017","73","4","520","523","10.1107/S205698901700367X","","","0.71073","MoKα","","0.0283","0.0243","","","0.046","0.0471","","","","","","1.16","","","","has coordinates,has Fobs","194254","2020-10-21","18:00:00",""
"2242079","7.7529","","12.0281","","13.8043","","90","","97","","90","","1277.69","","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tricaesium citrate monohydrate","Tricaesium citrate monohydrate","","- C6 H7 Cs3 O8 -","- C6 H7 Cs3 O8 -","- C24 H28 Cs12 O32 -","4","1","VN2126","Rammohan, Alagappa; Sarjeant, Amy A.; Kaduk, James A.","Tricaesium citrate monohydrate, Cs~3~C~6~H~5~O~7~·H~2~O: crystal structure and DFT comparison","Acta Crystallographica Section E","2017","73","4","520","523","10.1107/S205698901700367X","","","1.54184","DFTcalculation","","","","","","","","","","","","","","","","","has coordinates","194254","2020-10-21","18:00:00",""
"2242080","23.739","0.003","4.7791","0.0005","18.0722","0.0019","90","","90","","90","","2050.3","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (4<i>R</i>)-4-(4-methoxybenzoyl)-4-{[(1<i>R</i>)-1-phenylethyl]carbamoyl}butanoate","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C88 H100 N4 O20 -","4","1","HB7652","Manchado, Alejandro; Salgado, Mateo M.; Vicente, Álvaro; Díez, David; Sanz, Francisca; Garrido, Narciso M.","Crystal structure of methyl (4<i>R</i>)-4-(4-methoxybenzoyl)-4-{[(1<i>R</i>)-1-phenylethyl]carbamoyl}butanoate","Acta Crystallographica Section E","2017","73","4","503","506","10.1107/S2056989017003607","","","1.54178","CuKα","","0.1043","0.0673","","","0.152","0.1633","","","","","","1.249","","","","has coordinates,has Fobs","194255","2020-10-21","18:00:00",""
"2242081","15.6096","0.0004","8.8817","0.0002","15.8973","0.0004","90","","98.601","0.002","90","","2179.21","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>,5<i>Z</i>)-3-(2-Methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one","","- C24 H19 N3 O5 S -","- C24 H19 N3 O5 S -","- C96 H76 N12 O20 S4 -","4","1","XU5900","Djafri, Ahmed; Chouaih, Abdelkader; Daran, Jean-Claude; Djafri, Ayada; Hamzaoui, Fodil","Crystal and molecular structure of (2<i>Z</i>,5<i>Z</i>)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one","Acta Crystallographica Section E","2017","73","4","511","514","10.1107/S2056989017003218","","","0.71073","MoKα","","0.0565","0.0406","","","0.0971","0.1066","","","","","","1.025","","","","has coordinates,has Fobs","194256","2020-10-21","18:00:00",""
"2242082","15.945","0.012","8.765","0.006","16.894","0.013","90","","101.481","0.019","90","","2314","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichloridobis[<i>N</i>-(5,5-dimethyl-4,5-dihydro-3<i>H</i>-pyrrol-2-yl-κ<i>N</i>)acetamide]palladium(II) dihydrate","","- C16 H32 Cl2 N4 O4 Pd -","- C16 H32 Cl2 N4 O4 Pd -","- C64 H128 Cl8 N16 O16 Pd4 -","4","1","RZ5207","Lasri, Jamal; Eltayeb, Naser Eltaher; Haukka, Matti; Babgi, Bandar A.","Crystal structure of <i>trans</i>-dichloridobis[<i>N</i>-(5,5-dimethyl-4,5-dihydro-3<i>H</i>-pyrrol-2-yl-κ<i>N</i>)acetamide]palladium(II) dihydrate","Acta Crystallographica Section E","2017","73","4","528","530","10.1107/S2056989017003929","","","0.71073","MoKα","","0.0447","0.0318","","","0.0648","0.0705","","","","","","1.071","","","","has coordinates,has Fobs","194321","2020-10-21","18:00:00",""
"2242083","19.1513","0.0007","11.1589","0.0004","7.5071","0.0003","90","","92.088","0.001","90","","1603.26","0.1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone","","- C16 H10 Cl2 N2 O2 S -","- C16 H10 Cl2 N2 O2 S -","- C64 H40 Cl8 N8 O8 S4 -","4","1","RZ5206","Kumar, Rajesh; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone","Acta Crystallographica Section E","2017","73","4","524","527","10.1107/S2056989017003978","","","0.71073","MoKα","","0.0579","0.0452","","","0.1165","0.132","","","","","","1.118","","","","has coordinates,has Fobs","194322","2020-10-21","18:00:00",""
"2242084","5.4447","0.0007","17.18","0.002","11.7603","0.0019","90","","94.508","0.005","90","","1096.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-phenylisoxazole-3-carboxylate","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Crystal structure and Hirshfeld surface analysis of ethyl 5-phenylisoxazole-3-carboxylate","Acta Crystallographica Section E","2017","73","4","531","534","10.1107/S2056989017003127","","","0.71073","MoKα","","0.1108","0.0636","","","0.1526","0.1772","","","","","","1.087","","","","has coordinates,has Fobs","194323","2020-10-21","18:00:00",""
"2242085","14.3578","0.0004","13.9158","0.0002","13.222","0.0003","90","","114.08","0.003","90","","2411.86","0.11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Dicarbonylchlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>)ruthenium(II) <i>fac</i>-tricarbonyltrichloridoruthenate(II)]","","- C20 H10 Cl5 N3 O5 Ru2 -","- C20 H10 Cl5 N3 O5 Ru2 -","- C80 H40 Cl20 N12 O20 Ru8 -","4","1","WM5367","Tatikonda, Rajendhraprasad; Haukka, Matti","Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand","Acta Crystallographica Section E","2017","73","4","556","559","10.1107/S2056989017003917","","","0.71073","MoKα","","0.0316","0.0244","","","0.0467","0.0499","","","","","","1.063","","","","has coordinates","194407","2020-10-21","18:00:00",""
"2242086","7.3019","0.0003","8.508","0.0003","14.7702","0.0006","101.287","0.003","91.835","0.003","98.144","0.003","889.08","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dicarbonyl-<i>trans</i>-dichlorido(4'-chloro-2,2':6',2''-terpyridine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)ruthenium(II)","","- C17 H10 Cl3 N3 O2 Ru -","- C17 H10 Cl3 N3 O2 Ru -","- C34 H20 Cl6 N6 O4 Ru2 -","2","1","WM5367","Tatikonda, Rajendhraprasad; Haukka, Matti","Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand","Acta Crystallographica Section E","2017","73","4","556","559","10.1107/S2056989017003917","","","0.71073","MoKα","","0.0352","0.0329","","","0.0856","0.088","","","","","","1.074","","","","has coordinates","194407","2020-10-21","18:00:00",""
"2242087","16.84","0.003","8.6112","0.0016","8.1418","0.0015","90","","103.735","0.002","90","","1146.9","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,5-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","0.5","ZL2696","Kim, Nicholas S.; Thamattoor, Dasan M.","Crystal structure of 4,5-dibromophenanthrene","Acta Crystallographica Section E","2017","73","4","539","542","10.1107/S2056989017003863","","","0.71073","MoKα","","0.0341","0.0298","","","0.0796","0.0832","","","","","","1.057","","","","has coordinates,has Fobs","194408","2020-10-21","18:00:00",""
"2242088","7.7388","0.0005","5.9128","0.0004","15.7769","0.001","90","","96.39","0.002","90","","717.43","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-4-[4-(Benzyloxy)benzyl]oxazolidine-2,5-dione","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Inada, Aya; Kanazawa, Hitoshi","Crystal structure of (<i>S</i>)-4-[4-(benzyloxy)benzyl]oxazolidine-2,5-dione","Acta Crystallographica Section E","2017","73","4","553","555","10.1107/S2056989017004236","","","0.71075","MoKα","","0.0391","0.0312","","","0.0634","0.0677","","","","","","1.097","","","","has coordinates,has Fobs","194409","2020-10-21","18:00:00",""
"2242089","14.294","0.0011","7.0352","0.0006","11.6043","0.0009","90","","99.437","0.006","90","","1151.15","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Dinitro-[1,1'-biphenyl]-2-amine","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Faizi, Md. Serajul Haque; Haque, Ashanul; Dege, Necmi; Hasan, Syed Imran; Dege, Mustafa; Kalibabchuk, Valentina A.","Crystal structure of 4,4'-dinitro-[1,1'-biphenyl]-2-amine","Acta Crystallographica Section E","2017","73","4","550","552","10.1107/S205698901700408X","","","0.71073","MoKα","","0.1314","0.0398","","","0.0725","0.0924","","","","","","0.812","","","","has coordinates,has Fobs","194410","2020-10-21","18:00:00",""
"2242090","5.672","0.0003","12.6288","0.0007","13.469","0.0008","62.451","0.006","84.441","0.005","88.93","0.005","851","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-Methylbenzyl 2-[(<i>E</i>)-3-phenylallylidene]hydrazinecarbodithioate","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C36 H36 N4 S4 -","2","1","HB7666","Yusof, Enis Nadia Md; Tahir, Mohamed I. M.; Ravoof, Thahira B. S. A.; Tan, Sang Loon; Tiekink, Edward R. T.","A cinnamaldehyde Schiff base of <i>S</i>-(4-methylbenzyl) dithiocarbazate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2017","73","4","543","549","10.1107/S2056989017003991","","","1.5418","CuKα","","0.0404","0.0355","","","0.0937","0.0978","","","","","","1.027","","","","has coordinates,has Fobs","194411","2020-10-21","18:00:00",""
"2242091","17.522","0.003","8.9559","0.0018","8.986","0.0013","90","","90","","90","","1410.1","0.4","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Poly[μ-nitrato-[μ-<i>N</i>-(pyridin-2-ylmethyl-κ<i>N</i>)pyrazine-2-\ carboxamide-κ<i>N</i>^4^]silver(I)]","","- C11 H10 Ag N5 O4 -","- C11 H10 Ag N5 O4 -","- C44 H40 Ag4 N20 O16 -","4","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The silver(I) nitrate complex of the ligand <i>N</i>-(pyridin-2-ylmethyl)pyrazine-2-carboxamide: a metal‒organic framework (MOF) structure","Acta Crystallographica Section E","2017","73","4","535","538","10.1107/S2056989017003930","","","0.71073","MoKα","","0.0523","0.0465","","","0.1195","0.1277","","","","","","1.1","","","","has coordinates,has Fobs","194412","2020-10-21","18:00:00",""
"2242092","8.3663","0.0002","13.0442","0.0004","12.5363","0.0002","90","","103.46","0.002","90","","1330.53","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Butyl-1-chloro-3-methyl-3<i>H</i>-2,1λ^4^-benzoxatellurole","","- C12 H17 Cl O Te -","- C12 H17 Cl O Te -","- C48 H68 Cl4 O4 Te4 -","4","2","HG5483","Zukerman-Schpector, Julio; Cunha, Rodrigo; Omori, Álvaro T.; Sousa Madureira, Lucas; Tiekink, Edward R. T.","1-Butyl-1-chloro-3-methyl-3<i>H</i>-2,1λ^4^-benzoxatellurole: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","4","564","568","10.1107/S2056989017003887","","","0.71073","MoKα","","0.0282","0.0274","","","0.0742","0.0755","","","","","","1.016","","","","has coordinates,has Fobs","194502","2020-10-21","18:00:00",""
"2242093","7.4653","0.0007","15.4548","0.0014","12.2095","0.0012","90","","90.073","0.004","90","","1408.7","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(Ammoniomethyl)pyridinium dihydrogen squarate","2-(Azaniumylmethyl)pyridinium bis(2-hydroxy-3,4-dioxocyclobutanolate)","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C56 H48 N8 O32 -","4","1","SJ5524","Salamzadeh, Nina; Demircioglu, Zeynep; Korkmaz, Ufuk; Büyükgüngör, Orhan","Crystal structure of 2-(azaniumylmethyl)pyridinium bis(hydrogen squarate)","Acta Crystallographica Section E","2017","73","4","586","589","10.1107/S2056989017004376","","","0.71073","MoKα","","0.0486","0.0421","","","0.1089","0.1181","","","","","","1.106","","","","has coordinates,has Fobs","194503","2020-10-21","18:00:00",""
"2242094","9.289","0.004","9.616","0.004","14.474","0.006","90","","90.825","0.004","90","","1292.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-Methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","","Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju","Crystal structures of the Schiff base derivatives (<i>E</i>)-<i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (<i>E</i>)-<i>N</i>-methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","4","594","597","10.1107/S205698901700411X","","","0.71073","MoKα","","0.065","0.0479","","","0.1078","0.1156","","","","","","1.103","","","","has coordinates,has Fobs","194504","2020-10-21","18:00:00",""
"2242095","9.4692","0.0018","9.9821","0.0019","16.682","0.003","90","","90","","90","","1576.8","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-[(1<i>H</i>-Indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C68 H72 N16 O8 -","4","1","","Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju","Crystal structures of the Schiff base derivatives (<i>E</i>)-<i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (<i>E</i>)-<i>N</i>-methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","4","594","597","10.1107/S205698901700411X","","","0.71073","MoKα","","0.0441","0.0433","","","0.1186","0.1194","","","","","","0.98","","","","has coordinates,has Fobs","194504","2020-10-21","18:00:00",""
"2242096","4.8211","0.0006","13.776","0.003","7.0113","0.001","90","","98.06","0.03","90","","461.06","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Formamidinium iodide","","- C H5 I N2 -","- C H5 I N2 -","- C4 H20 I4 N8 -","4","1","LH5840","Petrov, Andrey A.; Goodilin, Eugene A.; Tarasov, Alexey B.; Lazarenko, Vladimir A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Formamidinium iodide: crystal structure and phase transitions","Acta Crystallographica Section E","2017","73","4","569","572","10.1107/S205698901700425X","","","0.9699","synchrotron","","0.0402","0.0388","","","0.092","0.093","","","","","","1.061","","","","has coordinates,has Fobs","194505","2020-10-21","18:00:00",""
"2242097","8.3187","0.0003","11.4119","0.0003","12.1012","0.0004","70.437","0.003","73.688","0.003","87.038","0.002","1037.76","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-(2-Aminopyridine-κ<i>N</i>)dichlorido{4-ethoxycarbonylmethoxy-3-methoxy-1-[(2,3-η)-prop-2-en-1-yl]benzene}platinum(II)","","- C19 H24 Cl2 N2 O4 Pt -","- C19 H24 Cl2 N2 O4 Pt -","- C38 H48 Cl4 N4 O8 Pt2 -","2","1","RZ5208","Le Thi Hong, Hai; Nguyen Thu, Thao; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-aminopyridine","Acta Crystallographica Section E","2017","73","4","573","578","10.1107/S2056989017004285","","","0.71073","MoKα","","0.0309","0.0287","","","0.0631","0.0646","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","194506","2020-10-21","18:00:00",""
"2242098","15.1198","0.0005","10.0855","0.0002","14.1855","0.0004","90","","117.329","0.004","90","","1921.72","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Aminopyridine-κ<i>N</i>)chlorido{5-ethoxycarbonylmethoxy-4-methoxy-1-[(2,3-η)-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}platinum(II)","","- C19 H23 Cl N2 O4 Pt -","- C19 H23 Cl N2 O4 Pt -","- C76 H92 Cl4 N8 O16 Pt4 -","4","1","RZ5208","Le Thi Hong, Hai; Nguyen Thu, Thao; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-aminopyridine","Acta Crystallographica Section E","2017","73","4","573","578","10.1107/S2056989017004285","","","0.71073","MoKα","","0.0178","0.0162","","","0.0375","0.0382","","","","","","1.059","","","","has coordinates,has Fobs","194506","2020-10-21","18:00:00",""
"2242099","6.9695","0.0002","8.096","0.0003","10.5316","0.0003","76.468","0.002","73.251","0.002","75.39","0.002","542.23","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Hydrazinium 2-amino-4-nitrobenzoate dihydrate","","- C7 H14 N4 O6 -","- C7 H14 N4 O6 -","- C14 H28 N8 O12 -","2","1","HB7667","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Hydrazinium 2-amino-4-nitrobenzoate dihydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","579","585","10.1107/S2056989017004352","","","0.71073","MoKα","","0.0459","0.0386","","","0.1039","0.1095","","","","","","1.049","","","","has coordinates,has Fobs","194507","2020-10-21","18:00:00",""
"2242100","9.806","0.005","11.264","0.005","17.274","0.005","96.727","0.005","95.859","0.005","108.575","0.005","1776.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(5-<i>tert</i>-Butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate(II)","","- C34 H44 Cl4 Hg N4 -","- C34 H44 Cl4 Hg N4 -","- C68 H88 Cl8 Hg2 N8 -","2","1","ZL2697","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Structure of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2017","73","4","560","563","10.1107/S2056989017004303","","","1.54178","CuKα","","0.0196","0.0195","","","0.0478","0.0479","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","194510","2020-10-21","18:00:00",""
"2242101","11.276","0.004","11.276","0.004","11.276","0.004","90","","90","","90","","1433.7","0.9","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Antimony-doped germanium","","- Ge0.9375 Sb0.0725 -","- Ge0.9375 Sb0.072625 -","- Ge60 Sb4.648 -","64","0.666667","VN2127","Herrero, Adrian Gómez; Hammoudi, Lamia; Kars, Mohammed; Roisnel, Thierry; Otero-Diáz, L. Carlos","Une surstructure de α-Ge, type diamant, induite par un dopage d'antimoine","Acta Crystallographica Section E","2017","73","5","654","657","10.1107/S2056989017004996","","","0.71073","MoKα","","0.1","0.058","","","0.0823","0.0869","","","","","","1.79","","","","has coordinates,has Fobs","194919","2020-10-21","18:00:00",""
"2242102","6.1917","0.0005","5.5299","0.0005","17.4769","0.0012","90","","99.233","0.007","90","","590.65","0.08","296.85","0.1","296.85","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BIDN","3,3'-Biisoxazole-5,5'-bis(methylene) dinitrate","","- C8 H6 N4 O8 -","- C8 H6 N4 O8 -","- C16 H12 N8 O16 -","2","0.5","PK2599","Sausa, Rosario C.; Pesce-Rodriguez, Rose A.; Wingard, Leah A.; Guzmán, Pablo E.; Sabatini, Jesse J.","Crystal structure of 3,3'-biisoxazole-5,5'-bis(methylene) dinitrate (BIDN)","Acta Crystallographica Section E","2017","73","4","644","646","10.1107/S205698901700487X","","","0.71073","MoKα","","0.0488","0.0406","","","0.0985","0.1049","","","","","","1.057","","","","has coordinates","196534","2020-10-21","18:00:00",""
"2242103","5.1628","0.0003","8.1593","0.0003","38.5755","0.0016","90","","90","","90","","1624.99","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophenyl 6-<i>O</i>-ethyl-β-<i>D</i>-galactopyranoside monohydrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","ZS2376","Silva, Bruno Leonardo; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Crystal structure of 4-nitrophenyl 6-<i>O</i>-ethyl-β-<small>D</small>-galactopyranoside monohydrate","Acta Crystallographica Section E","2017","73","4","598","601","10.1107/S2056989017004595","","","0.71073","MoKα","","0.0589","0.046","","","0.0988","0.1084","","","","","","1.075","","","","has coordinates","196535","2020-10-21","18:00:00",""
"2242104","21.3157","0.0018","11.9883","0.0008","22.8642","0.0015","90","","103.729","0.002","90","","5675.8","0.7","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{[(4-Iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate","","- C15 H16 N3 O3.5 -","- C15 H16 N3 O3.5 -","- C240 H256 N48 O56 -","16","2","SJ5531","Chidan Kumar, C. S.; Sim, Ai Jia; Ng, Weng Zhun; Chia, Tze Shyang; Loh, Wan-Sin; Kwong, Huey Chong; Quah, Ching Kheng; Naveen, S.; Lokanath, N. K.; Warad, Ismail","The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate","Acta Crystallographica, Section E","2017","73","7","927","931","10.1107/S2056989017007836","","","0.71073","MoKα","","0.0714","0.0465","","","0.1191","0.1362","","","","","","1.037","","","","has coordinates","198755","2020-10-21","18:00:00",""
"2242105","11.8226","0.0016","6.6305","0.0009","13.3557","0.0019","90","","114.531","0.003","90","","952.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1<i>Z</i>,4<i>Z</i>)-2,4-dimethyl-3<i>H</i>-benzo[<i>b</i>][1,4]diazepine","","- C11 H12 N2 -","- C11 H12 N2 -","- C44 H48 N8 -","4","1","HB7662","Nieto, Carla I.; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Elguero, Jose","Crystal structure of (1<i>Z</i>,4<i>Z</i>)-2,4-dimethyl-3<i>H</i>-benzo[<i>b</i>][1,4]diazepine","Acta Crystallographica, Section E","2017","73","5","647","650","10.1107/S2056989017004972","","","0.71073","MoKα","","0.1238","0.0514","","","0.1204","0.1457","","","","","","0.993","","","","has coordinates","198756","2020-10-21","18:00:00",""
"2242106","8.2363","0.0001","12.702","0.0002","11.4038","0.0001","90","","110.391","0.002","90","","1118.28","0.03","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichloridobis(dimethyl sulfoxide-κ<i>O</i>)bis(4-fluorobenzyl-κ<i>C</i>^1^)tin(IV)","","- C18 H24 Cl2 F2 O2 S2 Sn -","- C18 H24 Cl2 F2 O2 S2 Sn -","- C36 H48 Cl4 F4 O4 S4 Sn2 -","2","0.5","WM5381","Nur Adibah Binti Mohd Amin; Rusnah Syahila Duali Hussen; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","<i>trans</i>-Dichloridobis(dimethyl sulfoxide-κ<i>O</i>)bis(4-fluorobenzyl-κ<i>C</i>^1^)tin(IV): crystal structure and Hirshfeld surface analysis","Acta Crystallographica, Section E","2017","73","5","667","672","10.1107/S2056989017005072","","","1.54184","CuKα","","0.0182","0.0176","","","0.0458","0.0462","","","","","","1.078","","","","has coordinates","198757","2020-10-21","18:00:00",""
"2242107","7.9989","0.0003","8.0659","0.0003","14.6533","0.0005","104.52","0.001","98.422","0.001","98.909","0.001","887.04","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione","","- C18 H20 N2 O7 -","- C18 H20 N2 O7 -","- C36 H40 N4 O14 -","2","1","HB7681","Soto-Monsalve, Mónica; Romero, Elkin L.; Zuluaga, Fabio; Chaur, Manuel N.; D'Vries, Richard F.","(<i>E</i>)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","8","1197","1201","10.1107/S2056989017010374","","","0.71073","MoKα","","0.047","0.0425","","","0.125","0.1301","","","","","","1.043","","","","has coordinates,has Fobs","198827","2020-10-21","18:00:00",""
"2242108","15.3879","0.0002","17.8733","0.0005","22.2895","0.0006","90","","90","","90","","6130.3","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Bis(tetra-<i>n</i>-butylammonium) bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)oxalatomolybdate(IV)‒chloroform‒oxalic acid (1/1/1),","","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C180 H300 Cl12 F48 Mo4 N8 O32 S16 -","4","1","ZL2708","Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich","Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate","Acta Crystallographica Section E","2017","73","8","1202","1207","10.1107/S205698901701026X","","","0.71073","MoKα","","0.0895","0.048","","","0.0898","0.105","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","198828","2020-10-21","18:00:00",""
"2242109","14.2347","0.0015","19.494","0.0019","14.4056","0.0014","90","","103.159","0.005","90","","3892.5","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(tetra-<i>n</i>-butylammonium) μ-oxalato-bis[bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)molybdate(IV)]","","- C50 H72 F24 Mo2 N2 O4 S8 -","- C50 H72 F24 Mo2 N2 O4 S8 -","- C100 H144 F48 Mo4 N4 O8 S16 -","2","0.5","","Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich","Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate","Acta Crystallographica Section E","2017","73","8","1202","1207","10.1107/S205698901701026X","","","0.71073","MoKα","","0.122","0.0652","","","0.1382","0.164","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","198828","2020-10-21","18:00:00",""
"2242110","7.759","0.003","8.733","0.004","19.904","0.007","91.087","0.016","90.593","0.017","113.241","0.015","1238.8","0.9","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","4-Methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1)","","- C29 H30 N2 O6 -","- C29 H30 N2 O6 -","- C58 H60 N4 O12 -","2","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","Acta Crystallographica Section E","2017","73","8","1192","1196","10.1107/S2056989017010167","","","0.71075","MoKα","","0.0513","0.0404","","","0.1026","0.1055","","","","","","1.069","","","","has coordinates,has Fobs","198829","2020-10-21","18:00:00",""
"2242111","18.354","0.006","7.4166","0.0016","16.674","0.005","90","","104.943","0.012","90","","2193","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","Acta Crystallographica Section E","2017","73","8","1192","1196","10.1107/S2056989017010167","","","0.71075","MoKα","","0.0453","0.0377","","","0.1033","0.1075","","","","","","1.056","","","","has coordinates,has Fobs","198829","2020-10-21","18:00:00",""
"2242112","6.044","0.0001","32.6938","0.0006","10.5679","0.0002","90","","92.266","0.002","90","","2086.6","0.07","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-<i>tert</i>-Butyl-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]pyrrol-1-one","","- C12 H15 N O -","- C12 H15 N O -","- C96 H120 N8 O8 -","8","2","ZS2383","Donkeng Dazie, Joel; Ludvík, Jiří; Fábry, Jan; Eigner, Václav","Crystal structure of 2-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]pyrrol-1-one","Acta Crystallographica Section E","2017","73","8","1184","1188","10.1107/S2056989017010337","","","1.54184","CuKα","","0.0372","0.0318","","","0.0812","0.0832","","","","","","2.13","","","","has coordinates,has Fobs","198830","2020-10-21","18:00:00",""
"2242113","8.7344","0.0008","9.5967","0.0009","36.41","0.003","90","","90","","90","","3051.9","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(Pyren-1-yl)-1<i>H</i>-benzimidazole","","- C23 H14 N2 -","- C23 H14 N2 -","- C184 H112 N16 -","8","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, S.","Crystal structure and DFT study of 2-(pyren-1-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2017","73","8","1180","1183","10.1107/S2056989017010271","","","0.71073","MoKα","","0.0941","0.049","","","0.097","0.1127","","","","","","1.027","","","","has coordinates,has Fobs","198831","2020-10-21","18:00:00",""
"2242114","9.1505","0.0016","11.2712","0.0019","16.379","0.003","90","","103.997","0.006","90","","1639.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>rac</i>-2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one 1-oxide","<i>rac</i>-2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one 1-oxide","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","ZS2384","Yennawar, Hemant P.; Fox, Ryan; Moyer, Quentin J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structure of 2,3-diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one 1-oxide","Acta Crystallographica Section E","2017","73","8","1189","1191","10.1107/S2056989017010313","","","0.71073","MoKα","","0.097","0.09","","","0.2268","0.2308","","","","","","1.652","","","","has coordinates,has Fobs","198832","2020-10-21","18:00:00",""
"2242115","15.569","0.003","16.994","0.003","17.035","0.003","111.56","0.03","114.71","0.03","96.3","0.03","3618","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κ<i>N</i>]-1<i>H</i>-pyrazol-5-olato-κ<i>O</i>}zinc methanol 2.5-solvate","","- C44.5 H40 N8 O4.5 Zn -","- C42.5 H40 N8 O4.5 Zn -","- C170 H160 N32 O18 Zn4 -","4","2","WM5401","Burlov, Anatoliy S.; Vlasenko, Valery G.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structure of bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κ<i>N</i>]-1<i>H</i>-pyrazol-5-olato-κ<i>O</i>}zinc methanol 2.5-solvate from synchrotron X-ray diffraction","Acta Crystallographica Section E","2017","73","8","1208","1212","10.1107/S2056989017010441","","","0.9699","synchrotron","","0.0674","0.0516","","","0.1365","0.1524","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","198833","2020-10-21","18:00:00",""
"2242116","10.336","0.003","9.171","0.003","11.87","0.003","90","","100.656","0.005","90","","1105.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl (5-chloropenta-2,4-diyn-1-yl)carbamate","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","MW2133","Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L.","Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl","Acta Crystallographica Section E","2017","73","8","1175","1179","10.1107/S2056989017010155","","","0.71073","MoKα","","0.0544","0.0361","","","0.0812","0.0892","","","","","","1.059","","","","has coordinates,has Fobs","198834","2020-10-21","18:00:00",""
"2242117","11.1587","0.0016","9.0288","0.0013","12.9899","0.0018","90","","108.731","0.002","90","","1239.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl (5-iodopenta-2,4-diyn-1-yl)carbamate","","- C10 H12 I N O2 -","- C10 H12 I N O2 -","- C40 H48 I4 N4 O8 -","4","1","MW2133","Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L.","Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl","Acta Crystallographica Section E","2017","73","8","1175","1179","10.1107/S2056989017010155","","","0.71073","MoKα","","0.0245","0.0219","","","0.053","0.0542","","","","","","1.076","","","","has coordinates,has Fobs","198834","2020-10-21","18:00:00",""
"2242118","5.8266","0.0006","38.743","0.004","7.5613","0.0007","90","","103.257","0.003","90","","1661.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(4-Bromobutoxy)phenyl]-3-phenylprop-2-en-1-one","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0578","0.0372","","","0.1108","0.1247","","","","","","0.996","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242119","5.7331","0.0003","41.732","0.002","7.6476","0.0004","90","","101.767","0.002","90","","1791.27","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(4-Bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","- C20 H21 Br O3 -","- C20 H21 Br O3 -","- C80 H84 Br4 O12 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0579","0.0413","","","0.0986","0.1046","","","","","","1.071","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242120","9.4765","0.0004","26.0984","0.0012","7.8666","0.0004","90","","91.427","0.002","90","","1944.98","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(4-Bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C21 H23 Br O4 -","- C21 H23 Br O4 -","- C84 H92 Br4 O16 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0644","0.0348","","","0.095","0.1114","","","","","","1.017","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242121","9.6467","0.0009","18.408","0.001","7.8076","0.0006","90","","102.071","0.008","90","","1355.79","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","HB7690","Zukerman-Schpector, Julio; Sugiyama, Fabricia H.; Garcia, Ariel L. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","8","1218","1222","10.1107/S2056989017009987","","","0.71073","MoKα","","0.1214","0.0491","","","0.1206","0.1472","","","","","","0.995","","","","has coordinates,has Fobs","198916","2020-10-21","18:00:00",""
"2242122","3.7565","0.0008","8.7002","0.0017","18.35","0.004","90","","90","","90","","599.7","0.2","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Chloropyridine-2,3-diamine","","- C5 H6 Cl N3 -","- C5 H6 Cl N3 -","- C20 H24 Cl4 N12 -","4","1","FY2122","Sulovari, Aron; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine","Acta Crystallographica Section E","2017","73","8","1213","1217","10.1107/S2056989017010489","","","0.71073","MoKα","","0.062","0.0414","","","0.0774","0.0843","","","","","","1.067","","","","has coordinates,has Fobs","198917","2020-10-21","18:00:00",""
"2242123","6.3121","0.0001","10.5611","0.0002","7.9925","0.0002","90","","112.126","0.003","90","","493.57","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,4<i>R</i>,6<i>S</i>)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol","","- C10 H18 O2 -","- C10 H18 O2 -","- C20 H36 O4 -","2","1","HG5490","Collis, Gavin E.; Unterweger, Birgit; Dumsday, Geoff J.; Forsyth, Craig M.","Structural elucidation of a hydroxy‒cineole product obtained from cytochrome P450 monooxygenase CYP101J2 catalysed transformation of 1,8-cineole","Acta Crystallographica Section E","2017","73","8","1242","1245","10.1107/S2056989017010015","","","1.54184","CuKα","","0.0294","0.0291","","","0.0755","0.0759","","","","","","1.045","","","","has coordinates,has Fobs","198918","2020-10-21","18:00:00",""
"2242124","7.27709","0.00007","7.32686","0.00006","25.5179","0.0002","90","","90","","90","","1360.57","0.02","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilenin","3-Hydroxy-13-methyl-11,12,13,14,15,16-hexahydrocyclopenta[<i>a</i>]phenanthren-17-one","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","SU5383","Frampton, Christopher S.; MacNicol, David D.","Structure of Equilenin at 100K: an estrone-related steroid","Acta Crystallographica Section E","2017","73","8","1223","1226","10.1107/S2056989017010532","","","1.54184","CuKα","","0.0293","0.0292","","","0.0802","0.0804","","","","","","1.008","","","","has coordinates,has Fobs","198919","2020-10-21","18:00:00",""
"2242125","9.8658","0.001","5.0979","0.0004","19.551","0.002","90","","96.033","0.008","90","","977.87","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(Ethane-1,2-diyl)bis(2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine)","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","0.5","SJ5529","Rivera, Augusto; Cepeda-Santamaría, Juan E.; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 2,2'-(ethane-1,2-diyl)bis(2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine): a prospective raw material for polybenzoxazines","Acta Crystallographica Section E","2017","73","6","832","834","10.1107/S2056989017006673","","","0.71073","MoKα","","0.1138","0.0625","","","0.1126","0.1299","","","","","","0.939","","","","has coordinates,has Fobs","199105","2020-10-21","18:00:00",""
"2242126","7.206","0.002","7.206","0.002","18.653","0.011","90","","90","","120","","838.8","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B18 Ba8.35 O36 Pb0.65 -","- B18 Ba8.352 O36 Pb0.648 -","- B18 Ba8.352 O36 Pb0.648 -","1","0.0555556","","Zhao, Wenwu","Crystal structure of the solid solution Ba~8.35~Pb~0.65~(B~3~O~6~)~6~","Acta Crystallographica Section E","2017","73","3","349","353","10.1107/S2056989017001864","","","0.71073","MoKα","","0.0199","0.019","","","0.0471","0.0475","","","","","","1.23","","","","has coordinates","199106","2020-10-21","18:00:00",""
"2242127","8.3465","0.0002","10.9783","0.0003","14.6583","0.0004","90","","101.056","0.001","90","","1318.22","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Oxours-12-ene-27a,28-dioic acid","","- C30 H44 O5 -","- C30 H44 O5 -","- C60 H88 O10 -","2","1","RZ5213","Bankeu Kezetas, Jean Jules; Dietagoum Madjouka, Stéphanie; Kumar, Rajesh; Ali, Muhammad Shaiq; Lenta Njakou, Bruno; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)","Acta Crystallographica Section E","2017","73","5","763","766","10.1107/S2056989017006077","","","1.54178","CuKα","","0.0421","0.0414","","","0.1144","0.1152","","","","","","1.055","","","","has coordinates,has Fobs","199107","2020-10-21","18:00:00",""
"2242128","8.3074","0.0004","11.1871","0.0005","11.7693","0.0006","102.384","0.002","91.106","0.002","109.581","0.002","1001.6","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C48 H40 Br2 N2 O6 -","2","1","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","1.54178","CuKα","","0.0493","0.0448","","","0.1182","0.124","","","","","","1.028","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242129","11.0772","0.0006","13.0582","0.0008","13.8966","0.0008","90","","90","","90","","2010.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C96 H80 Br4 N4 O12 -","4","1","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0299","0.0259","","","0.0569","0.0576","","","","","","0.985","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242130","8.1529","0.0013","18.185","0.003","26.86","0.004","90","","90","","90","","3982.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>)-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C192 H160 Br8 N8 O24 -","8","2","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0778","0.0445","","","0.0848","0.0934","","","","","","0.968","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242131","5.8494","0.0004","12.6458","0.0008","9.5658","0.0006","90","","104.763","0.002","90","","684.23","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-Methyl (<i>R</i>,<i>E</i>)-4-[(2<i>R</i>,4<i>R</i>)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","","- C10 H14 Cl3 N O5 -","- C10 H14 Cl3 N O5 -","- C20 H28 Cl6 N2 O10 -","2","1","SU5377","Oishi, Takeshi; Kidena, Mayu; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka","Crystal structure of (‒)-methyl (<i>R</i>,<i>E</i>)-4-[(2<i>R</i>,4<i>R</i>)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","Acta Crystallographica Section E","2017","73","7","983","986","10.1107/S2056989017008283","","","0.71073","MoKα","","0.0332","0.03","","","0.0573","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","199109","2020-10-21","18:00:00",""
"2242132","7.5555","0.0003","13.0278","0.0007","9.7397","0.0005","90","","91.767","0.002","90","","958.24","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine","","- C9 H9 Cl N2 O -","- C9 H9 Cl N2 O -","- C36 H36 Cl4 N8 O4 -","4","1","ZQ2237","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Crystal structure of 2-chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine","Acta Crystallographica Section E","2017","73","8","1172","1174","10.1107/S2056989017010027","","","0.71073","MoKα","","0.0308","0.0272","","","0.0719","0.0738","","","","","","1.074","","","","has coordinates,has Fobs","199110","2020-10-21","18:00:00",""
"2242133","6.715","0.0013","13.504","0.003","16.757","0.003","90","","90","","90","","1519.5","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Benzyl-8-bromo-2-methyl[1,3]oxazolo[4,5-<i>c</i>]-1,8-naphthyridin-4(5<i>H</i>)-one","","- C17 H12 Br N3 O2 -","- C17 H12 Br N3 O2 -","- C68 H48 Br4 N12 O8 -","4","1","RZ5210","Vrijdag, Johannes; Van den Bogaert, An; De Borggraeve, Wim; Van Meervelt, Luc","Crystal structure of 5-benzyl-8-bromo-2-methyl-1,3-oxazolo[4,5-<i>c</i>][1,8]naphthyridin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2017","73","5","687","690","10.1107/S2056989017005023","","","0.71073","MoKα","","0.0375","0.0274","","","0.0644","0.0687","","","","","","1.156","","","","has coordinates,has Fobs","199111","2020-10-21","18:00:00",""
"2242134","8.6885","0.0007","7.9478","0.0006","15.3417","0.001","90","","103.908","0.002","90","","1028.35","0.13","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","Naltrexone chloride ethanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride ethanol monosolvate","","- C22 H30 Cl N O5 -","- C22 H30 Cl N O5 -","- C44 H60 Cl2 N2 O10 -","2","1","JJ2196","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0531","0.0381","","","0.0769","0.0824","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242135","8.0297","0.001","15.5449","0.0017","17.56","0.004","90","","90","","90","","2191.9","0.6","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","naltrexone chloride i-propanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride propan-2-ol monosolvate","","- C23 H32 Cl N O5 -","- C23 H32 Cl N O5 -","- C92 H128 Cl4 N4 O20 -","4","1","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0632","0.0454","","","0.1052","0.1124","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242136","8.8487","0.0004","17.3281","0.0009","15.5702","0.0008","90","","92.702","0.002","90","","2384.7","0.2","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","naltrexone chloride t-butanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride 2-methylpropan-2-ol monosolvate","","- C24 H34 Cl N O5 -","- C24 H34 Cl N O5 -","- C96 H136 Cl4 N4 O20 -","4","2","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","1.54178","CuKα","","0.0387","0.0332","","","0.0763","0.0791","","","","","","1.044","","","","has coordinates,has Fobs","199113","2020-10-21","18:00:00",""
"2242137","8.3436","0.0004","9.7591","0.0005","10.8815","0.0006","97.905","0.004","98.142","0.004","101.576","0.004","846.59","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[2-(Benzo[<i>d</i>]thiazol-2-yl)acetyl]-4-methylbenzenesulfonohydrazide","","- C16 H15 N3 O3 S2 -","- C16 H15 N3 O3 S2 -","- C32 H30 N6 O6 S4 -","2","1","HG5489","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.","Crystal structure of <i>N</i>'-[2-(benzo[<i>d</i>]thiazol-2-yl)acetyl]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2017","73","7","1041","1043","10.1107/S2056989017008738","","","0.71073","MoKα","","0.0361","0.0308","","","0.0757","0.0791","","","","","","1.051","","","","has coordinates,has Fobs","199114","2020-10-21","18:00:00",""
"2242138","9.4104","0.0004","12.835","0.0004","13.0774","0.0005","90","","104.198","0.004","90","","1531.27","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Cyano-3,3-bis(ethylthio)-<i>N</i>-<i>o</i>-tolylacrylamide","2-Cyano-3,3-bis(ethylsulfanyl)-<i>N</i>-(2-methylphenyl)prop-2-enamide","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C60 H72 N8 O4 S8 -","4","1","HG5488","Azzam, Rasha A.; Elgemeie, Galal H.; Ramadan, Rokia; Jones, Peter G.","Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-<i>N</i>-<i>o</i>-tolylacrylamide","Acta Crystallographica Section E","2017","73","5","752","754","10.1107/S2056989017005783","","","0.71073","MoKα","","0.0444","0.0339","","","0.076","0.0807","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","199115","2020-10-21","18:00:00",""
"2242139","7.7463","0.0015","13.235","0.003","25.642","0.005","90","","90","","90","","2628.9","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluorocytosinium picrate","","- C10 H7 F N6 O8 -","- C10 H7 F N6 O8 -","- C80 H56 F8 N48 O64 -","8","1","ZS2375","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate","Acta Crystallographica Section E","2017","73","3","361","364","10.1107/S205698901700216X","","","0.71073","MoKα","","0.0696","0.0582","","","0.1571","0.1738","","","","","","1.087","","","","has coordinates,has Fobs","199116","2020-10-21","18:00:00",""
"2242140","11.23","0.003","17.204","0.005","18.11","0.006","90","","103.248","0.007","90","","3405.8","1.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","(bztmpen)Ni","(Acetonitrile-κ<i>N</i>){<i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-Tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}nickel(II) bis(tetrafluoridoborate)","","- C32 H38 B2 F8 N6 Ni -","- C32 H38 B2 F8 N6 Ni -","- C128 H152 B8 F32 N24 Ni4 -","4","1","VN2128","Chen, Lin; Ren, Gan; Guo, Yakun; Sang, Ge","Crystal structure and electrochemical properties of [Ni(bztmpen)(CH~3~CN)](BF~4~)~2~ {bztmpen is <i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}","Acta Crystallographica Section E","2017","73","6","825","828","10.1107/S2056989017006764","","","0.71073","MoKα","","0.0358","0.0346","","","0.0899","0.0918","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","199117","2020-10-21","18:00:00",""
"2242141","4.8722","0.0004","12.0436","0.001","21.9803","0.0016","90","","96.353","0.008","90","","1281.86","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(5-Methylthiazol-2-yl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C56 H40 N8 O12 S4 -","4","1","HB7689","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Polymorphism in the structure of <i>N</i>-(5-methylthiazol-2-yl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","Acta Crystallographica Section E","2017","73","8","1154","1161","10.1107/S2056989017009902","","","0.71073","MoKα","","0.1513","0.0973","","","0.2024","0.2225","","","","","","1.13","","","","has coordinates,has Fobs","199118","2020-10-21","18:00:00",""
"2242142","7.4646","0.0005","30.626","0.002","11.0869","0.0008","90","","93.232","0.002","90","","2530.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C112 H80 N16 O24 S8 -","8","2","HB7689","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Polymorphism in the structure of <i>N</i>-(5-methylthiazol-2-yl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","Acta Crystallographica Section E","2017","73","8","1154","1161","10.1107/S2056989017009902","","","0.71075","MoKα","","0.1101","0.0598","","","0.1308","0.1532","","","","","","1.078","","","","has coordinates,has Fobs","199118","2020-10-21","18:00:00",""
"2242143","8.0769","0.0009","5.6076","0.0007","18.3724","0.0018","90","","100.781","0.012","90","","817.44","0.16","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^2^,<i>N</i>^5^-Bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","0.71073","MoKα","","0.0583","0.0316","","","0.0702","0.0756","","","","","","0.866","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242144","8.7271","0.0005","5.295","0.0004","20.1403","0.0013","90","","99.834","0.006","90","","917.01","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-Dimethyl-<i>N</i>^2^,<i>N</i>^5^-bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide","","- C20 H20 N6 O2 -","- C20 H20 N6 O2 -","- C40 H40 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","1.54186","CuKα","","0.0393","0.0354","","","0.0915","0.0946","","","","","","1.051","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242145","5.8663","0.0006","18.7539","0.0017","7.2943","0.0008","90","","101.606","0.012","90","","786.08","0.14","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^2^,<i>N</i>^5^-Bis(pyridin-4-ylmethyl)pyrazine-2,5-dicarboxamide","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","0.71073","MoKα","","0.0439","0.036","","","0.0941","0.0973","","","","","","1.081","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242146","12.5899","0.0005","17.5691","0.0006","11.898","0.0005","90","","101.326","0.004","90","","2580.51","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(piperidin-1-ium) sulfate‒1,3-dimethylthiourea (1/2)","","- C16 H40 N6 O4 S3 -","- C16 H40 N6 O4 S3 -","- C64 H160 N24 O16 S12 -","4","0.5","HG5484","Döring, Cindy; Lueck, Julian F. D.; Jones, Peter G.","Crystal structure of the 1:2 adduct of bis(piperidinium) sulfate and 1,3-dimethylthiourea","Acta Crystallographica Section E","2017","73","5","651","653","10.1107/S2056989017004820","","","1.54184","CuKα","","0.0435","0.0341","","","0.0791","0.0836","","","","","","1.028","","","","has coordinates,has Fobs","199120","2020-10-21","18:00:00",""
"2242147","12.734","0.003","10.685","0.003","15.498","0.005","90","","112.83","0.02","90","","1943.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trisodium rubidium heptamagnesium hexakis(orthophosphate)","","- Mg7 Na3 O24 P6 Rb -","- Mg7 Na3 O24 P6 Rb -","- Mg28 Na12 O96 P24 Rb4 -","4","0.5","BR2264","Ben Hamed, Teycir; Boukhris, Amal; Badri, Abdessalem; Ben Amara, Mongi","Synthesis and crystal structure of a new magnesium phosphate Na~3~RbMg~7~(PO~4~)~6~","Acta Crystallographica Section E","2017","73","6","817","820","10.1107/S2056989017006363","","","0.71073","MoKα","","0.0469","0.036","","","0.0951","0.1003","","","","","","1.071","","","","has coordinates,has Fobs","199122","2020-10-21","18:00:00",""
"2242148","8.546","0.003","9.137","0.003","13.662","0.004","90","","95.984","0.006","90","","1061","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinoline-9-carbaldehyde","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","HG5485","Faizi, Md. Serajul Haque; Dege, Necmi; Malysheva, Maria L.","Crystal structure and DFT study of 8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinoline-9-carbaldehyde","Acta Crystallographica Section E","2017","73","5","791","794","10.1107/S2056989017005886","","","0.71073","MoKα","","0.0846","0.066","","","0.1878","0.2305","","","","","","1.106","","","","has coordinates,has Fobs","199123","2020-10-21","18:00:00",""
"2242149","10.428","0.002","13.961","0.002","15.49","0.002","90","","94.671","0.003","90","","2247.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,8,11-Tetraazoniacyclotetradecane bis(dichromate) monohydrate","","- C10 H30 Cr4 N4 O15 -","- C10 H30 Cr4 N4 O15 -","- C40 H120 Cr16 N16 O60 -","4","1","WM5385","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data","Acta Crystallographica Section E","2017","73","5","755","758","10.1107/S2056989017005771","","","0.61","synchrotron","","0.0434","0.0382","","","0.1201","0.1237","","","","","","1.085","","","","has coordinates,has Fobs","199124","2020-10-21","18:00:00",""
"2242150","10.5351","0.0004","19.1686","0.0007","22.1162","0.0008","90","","102.778","0.004","90","","4355.6","0.3","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyrimethanil Form 2","4,6-Dimethyl-<i>N</i>-phenylpyrimidin-2-amine","","- C12 H13 N3 -","- C12 H13 N3 -","- C192 H208 N48 -","16","4","HB7679","Eberlin, Alex R.; Frampton, Christopher S.","A metastable polymorphic form of the antifungal anilinopyrimidine active pyrimethanil","Acta Crystallographica Section E","2017","73","6","886","889","10.1107/S2056989017007563","","","0.71073","MoKα","","0.1123","0.056","","","0.1174","0.1494","","","","","","1.001","","","","has coordinates,has Fobs","199125","2020-10-21","18:00:00",""
"2242151","24.1434","0.0009","10.5348","0.0004","8.9006","0.0004","90","","93.042","0.002","90","","2260.64","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-Hydroxy-1,2-diphenylethan-1-one oxime","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","WM5397","Reuter, Hans; Okio, Coco K. Y. A.","Crystal structure of (<i>E</i>)-2-hydroxy-1,2-diphenylethan-1-one oxime","Acta Crystallographica Section E","2017","73","7","1062","1065","10.1107/S2056989017008866","","","0.71073","MoKα","","0.0416","0.0358","","","0.084","0.0876","","","","","","1.076","","","","has coordinates,has Fobs","199126","2020-10-21","18:00:00",""
"2242152","8.387","0.0017","10.275","0.002","14.115","0.003","87.2","0.03","77.83","0.03","72.31","0.03","1132.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","9,20-Dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.0^2,7^.0^13,18^]tricosane dihydrate","","- C21 H44 N4 O2 -","- C21 H44 N4 O2 -","- C42 H88 N8 O4 -","2","1","WM5364","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 9,20-dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.0^2,7^.0^13,18^]tricosane dihydrate from synchrotron X-ray data","Acta Crystallographica Section E","2017","73","3","387","389","10.1107/S2056989017002444","","","0.61","synchrotron","","0.0812","0.0468","","","0.1117","0.1233","","","","","","0.919","","","","has coordinates,has Fobs","199127","2020-10-21","18:00:00",""
"2242153","10.3126","0.0003","13.1138","0.0003","6.4405","0.0002","90","","90","","90","","871","0.04","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Calcium dinickel(II) iron(III) tris(orthophosphate)","","- Ca Fe Ni2 O12 P3 -","- Ca Fe Ni2 O12 P3 -","- Ca4 Fe4 Ni8 O48 P12 -","4","0.25","WM5390","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of calcium dinickel(II) iron(III) tris(orthophosphate): CaNi~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2017","73","6","893","895","10.1107/S2056989017007411","","","0.71073","MoKα","","0.0169","0.0166","","","0.0442","0.0443","","","","","","1.167","","","","has coordinates,has Fobs","199128","2020-10-21","18:00:00",""
"2242154","7.282","0.001","18.445","0.003","9.144","0.002","90","","96.11","0.03","90","","1221.2","0.4","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrahydroseselin","8,8-Dimethyl-3,4,9,10-tetrahydro-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>]chromen-2-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","ZS2379","Bauri, A. K.; Foro, S.; Rahman, A. F. M. M.","Crystal structure of tetrahydroseselin, an angular pyranocoumarin","Acta Crystallographica Section E","2017","73","8","1117","1120","10.1107/S205698901700932X","","","1.5418","CuKα","","0.0675","0.0577","","","0.1445","0.1513","","","","","","1.057","","","","has coordinates,has Fobs","199129","2020-10-21","18:00:00",""
"2242155","3.7436","0.0003","34.146","0.003","10.7528","0.0009","90","","94.799","0.008","90","","1369.7","0.2","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Pyridin-3-ylethynyl)-2,2'-bipyridine","","- C17 H11 N3 -","- C17 H11 N3 -","- C68 H44 N12 -","4","1","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0924","0.0828","","","0.2025","0.2083","","","","","","1.146","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242156","9.6951","0.0006","12.0142","0.0007","12.0376","0.0009","90","","109.552","0.008","90","","1321.28","0.16","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Indol-4-yl)-2,2'-bipyridine","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0437","0.0375","","","0.0905","0.0947","","","","","","1.056","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242157","9.8697","0.0007","12.604","0.0007","22.8414","0.0013","90","","97.89","0.006","90","","2814.5","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-Methylphenylethynyl)-2,2'-bipyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C152 H112 N16 -","8","2","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0898","0.0542","","","0.1275","0.1458","","","","","","1.044","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242158","12.9905","0.0018","12.9905","0.0018","29.942","0.006","90","","90","","90","","5052.8","1.4","298","","298","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-4-Acetamido-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]isoindoline-1,3-dione ethanol hemisolvate hemihydrate","","- C23 H28 N2 O8 S -","- C23 H28 N2 O8 S -","- C184 H224 N16 O64 S8 -","8","1","WM5386","Wu, Yun-Deng; Liu, Xiao-Hong; Xu, Jian; Zhang, Si-Han; Shen, Kun; Sun, Ling; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","Crystal structure of an apremilast ethanol hemisolvate hemihydrate solvatomorph","Acta Crystallographica Section E","2017","73","6","821","824","10.1107/S2056989017006661","","","0.71073","MoKα","","0.1141","0.0661","","","0.1545","0.1831","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","199131","2020-10-21","18:00:00",""
"2242159","7.3885","0.0009","8.072","0.001","9.2976","0.0013","69.039","0.012","89.498","0.01","75.915","0.01","500.37","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(1<i>H</i>-Benzotriazol-1-yl)-2-methylpropanamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","1","ZL2702","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","1.54184","CuKα","","0.0325","0.032","","","0.0803","0.0807","","","","","","1.106","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242160","5.5961","0.0011","9.3462","0.0019","10.472","0.002","109.83","0.03","90.93","0.03","97.14","0.03","510.2","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","3-(2<i>H</i>-Benzotriazol-2-yl)-2-methylpropanamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","1","","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","0.71073","MoKα","","0.04","0.0369","","","0.0852","0.0869","","","","","","1.085","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242161","7.1732","0.0006","7.9945","0.0006","9.5912","0.0007","83.91","0.006","86.247","0.006","81.528","0.006","540.25","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","3-(1<i>H</i>-Benzotriazol-1-yl)-<i>N</i>,<i>N</i>-dimethylpropanamide","","- C11 H14 N4 O -","- C11 H14 N4 O -","- C22 H28 N8 O2 -","2","1","","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","0.71073","MoKα","","0.056","0.0465","","","0.1244","0.1305","","","","","","1.031","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242162","11.9144","0.0016","8.3755","0.0012","30.382","0.004","90","","90","","90","","3031.8","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Bromophenyl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}- 1-ethanone","","- C15 H10 Br N3 O2 S -","- C15 H10 Br N3 O2 S -","- C120 H80 Br8 N24 O16 S8 -","8","1","HB7660","Bano, Huma; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one","Acta Crystallographica Section E","2017","73","4","623","626","10.1107/S2056989017004819","","","0.71073","MoKα","","0.053","0.0354","","","0.093","0.1139","","","","","","1.133","","","","has coordinates,has Fobs","199133","2020-10-21","18:00:00",""
"2242163","13.2227","0.0005","17.7311","0.0006","24.0242","0.0009","79.6276","0.0012","81.2551","0.0012","89.3481","0.0012","5475.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,6-bis(1-{[4-(dimethylamino)phenyl]imino-κ<i>N</i>}ethyl)pyridine-κ<i>N</i>]nickel dichloride‒dichloromethane‒water (1/2/2)","","- C52 H66 Cl6 N10 Ni O2 -","- C52 H66 Cl6 N10 Ni O2 -","- C208 H264 Cl24 N40 Ni4 O8 -","4","2","WM5402","Matthews, Morgan; Sendzik, Madison; Bruggeman, Adrienne; Kearns, Claire; Oliver, Allen G.; Babbini, Dominic C.","Synthesis and crystal structure of a disubstituted nickel(II) bis[(dimethylaminophenylimino)ethyl]pyridine chloride complex","Acta Crystallographica Section E","2017","73","8","1167","1171","10.1107/S2056989017010088","","","0.71073","MoKα","","0.0717","0.0446","","","0.1042","0.1149","","","","","","1.039","","","","has coordinates,has Fobs","199134","2020-10-21","18:00:00",""
"2242164","40.2728","0.0008","6.9679","0.0001","16.0119","0.0003","90","","92.588","0.001","90","","4488.63","0.14","210","2","210","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-Bis[3-(piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","","- C28 H32 N2 -","- C28 H32 N2 -","- C224 H256 N16 -","8","1","SJ5530","Walbaum, Anqi; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Crystal structure of 4,4'-bis[3-(piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","Acta Crystallographica Section E","2017","73","6","864","866","10.1107/S2056989017007277","","","1.54178","CuKα","","0.0419","0.038","","","0.114","0.12","","","","","","1.075","","","","has coordinates,has Fobs","199135","2020-10-21","18:00:00",""
"2242165","20.2686","0.0003","7.58016","0.00011","12.6109","0.0002","90","","107.6","0.0017","90","","1846.83","0.05","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Benzoyl-5-ethynylphenyl)quinoline-2-carboxamide","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","LH5838","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structure of <i>N</i>-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide","Acta Crystallographica Section E","2017","73","4","602","605","10.1107/S2056989017004601","","","1.54184","CuKα","","0.0375","0.0341","","","0.089","0.0919","","","","","","1.049","","","","has coordinates,has Fobs","199136","2020-10-21","18:00:00",""
"2242166","6.5899","0.0002","17.6467","0.0004","8.5106","0.0002","90","","90","","90","","989.7","0.04","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Barium dimanganese(II) iron(III) tris(orthophosphate)","","- Ba Fe Mn2 O12 P3 -","- Ba Fe Mn2 O12 P3 -","- Ba4 Fe4 Mn8 O48 P12 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0221","0.0175","","","0.0423","0.0439","","","","","","1.052","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242167","6.4304","0.0003","17.8462","0.0007","8.4906","0.0003","90","","90","","90","","974.37","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Strontium dimanganese(II) iron(III) tris(orthophosphate)","","- Fe Mn2 O12 P3 Sr -","- Fe Mn2 O12 P3 Sr -","- Fe4 Mn8 O48 P12 Sr4 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0252","0.0208","","","0.0466","0.0479","","","","","","1.081","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242168","15.1154","0.0005","8.7269","0.0003","16.1675","0.0006","90","","108.156","0.001","90","","2026.48","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1-Dimethylhydrazinium tetraphoshonoatotrizincate(II)","","- C4 H22 N4 O12 P4 Zn3 -","- C4 H22 N4 O12 P4 Zn3 -","- C16 H88 N16 O48 P16 Zn12 -","4","0.5","SJ5526","Katinaitė, Judita; Harrison, William T. A.","The crystal structure of (C~2~H~9~N~2~)~2~[Zn~3~(HPO~3~)~4~], a three-dimensional zincophosphite framework containing 16-membered rings templated by the unsymmetrical dimethyl hydrazinium cation","Acta Crystallographica Section E","2017","73","5","759","762","10.1107/S2056989017005758","","","0.71073","MoKα","","0.0792","0.0679","","","0.1964","0.2392","","","","","","1.215","","","","has coordinates,has Fobs","199138","2020-10-21","18:00:00",""
"2242169","11.8581","0.0002","28.5087","0.0004","12.0272","0.0002","90","","104.934","0.0017","90","","3928.57","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]\ bis(triphenylphosphane-κ<i>P</i>)silver(I)","","- C43 H37 Ag Cl N3 O2 P2 S -","- C43 H37 Ag Cl N3 O2 P2 S -","- C172 H148 Ag4 Cl4 N12 O8 P8 S4 -","4","1","LH5841","Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Wattanakanjana, Yupa","Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)silver(I)","Acta Crystallographica Section E","2017","73","6","829","831","10.1107/S2056989017006405","","","1.54178","CuKα","","0.0272","0.0268","","","0.067","0.0675","","","","","","1.075","","","","has coordinates,has Fobs","199139","2020-10-21","18:00:00",""
"2242170","6.2584","0.0001","10.1734","0.0002","18.7183","0.0003","90","","90","","90","","1191.78","0.04","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C40 H36 Cl4 N16 O4 S4 -","4","1","","Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Kickofel, Lisliane; de Farias, Renan Lira; de Oliveira, Adriano Bof","Hirshfeld analysis and molecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","5","702","707","10.1107/S2056989017005461","","","0.71073","MoKα","","0.021","0.0204","","","0.0556","0.0563","","","","","","1.049","","","","has coordinates,has Fobs","199140","2020-10-21","18:00:00",""
"2242171","10.3489","0.0006","14.3664","0.0008","21.4619","0.0013","90","","90","","90","","3190.9","0.3","120","2","119.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","({(1<i>R</i>,2<i>R</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","","- C27 H29 Cl7 Fe2 N4 O -","- C27 H29 Cl7 Fe2 N4 O -","- C108 H116 Cl28 Fe8 N16 O4 -","4","1","HB7682","Swift, Hannah; Carrig, Molly W.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of ({(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","Acta Crystallographica Section E","2017","73","7","936","940","10.1107/S2056989017007952","","","0.71073","MoKα","","0.0502","0.0369","","","0.0768","0.0816","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","199141","2020-10-21","18:00:00",""
"2242172","4.2713","0.0006","35.792","0.005","5.9516","0.0009","90","","93.326","0.002","90","","908.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(1<i>E</i>,1'<i>E</i>)-1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","","- C21 H9 F10 N3 -","- C21 H9 F10 N3 -","- C42 H18 F20 N6 -","2","0.5","SU5374","Boyle, Jenna; Breakfield, Catherine; Buck, Leah; McMahon, Catherine; Babbini, Dominic C.","Crystal structure of (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","Acta Crystallographica Section E","2017","73","7","954","956","10.1107/S2056989017008040","","","0.71073","MoKα","","0.0397","0.0335","","","0.0826","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","199142","2020-10-21","18:00:00",""
"2242173","8.59","0.0017","10.45","0.002","20.67","0.004","90","","98.45","0.03","90","","1835.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4-ethyl-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","HB7645","Nguyen, Van Tuyen; Sorokina, Elena A.; Listratova, Anna V.; Voskressensky, Leonid G.; Lobanov, Nikolai N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Ring-expansion synthesis and crystal structure of dimethyl 4-ethyl-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","Acta Crystallographica Section E","2017","73","3","338","340","10.1107/S205698901700161X","","","0.9699","synchrotron","","0.0619","0.0458","","","0.1104","0.1221","","","","","","1.006","","","","has coordinates,has Fobs","199143","2020-10-21","18:00:00",""
"2242174","17.2445","0.0006","14.1398","0.0005","19.6452","0.0007","90","","93.3307","0.0012","90","","4782.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(T(N-18C6)PP)]","(5-{3-[(1,4,7,10,13-Pentaoxa-16-azacyclooctadecan-16-yl)carbonylamino]phenyl}- 10,15,20-triphenylporphyrinato)cobalt(II)","","- C57 H52 Co N6 O6 -","- C57 H52 Co N6 O6 -","- C228 H208 Co4 N24 O24 -","4","1","QM2115","Wu, Qi; He, Mingrui; Li, Jianfeng","Crystal structure of (5-{3-[(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)carbonylamino]phenyl}-10,15,20-triphenylporphyrinato)cobalt(II)","Acta Crystallographica Section E","2017","73","7","963","966","10.1107/S2056989017007745","","","0.71073","MoKα","","0.0565","0.0429","","","0.0988","0.1057","","","","","","1.056","","","","has coordinates,has Fobs","199144","2020-10-21","18:00:00",""
"2242175","9.1456","0.001","10.586","0.0008","19.974","0.002","90","","97.11","0.009","90","","1918.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Bis{(<i>E</i>)-[4-(dimethylamino)benzylidene]amino}propan-2-ol","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C84 H112 N16 O4 -","4","2","SJ5528","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","1,3-Bis{(<i>E</i>)-[4-(dimethylamino)benzylidene]amino}propan-2-ol: chain structure formation <i>via</i> an O—H···N hydrogen bond","Acta Crystallographica Section E","2017","73","6","813","816","10.1107/S2056989017006429","","","0.71073","MoKα","","0.1216","0.0634","","","0.1322","0.1555","","","","","","0.93","","","","has coordinates,has Fobs","199145","2020-10-21","18:00:00",""
"2242176","9.514","0.002","9.87","0.003","9.883","0.003","64.609","0.006","87.539","0.007","86.66","0.007","836.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Triphenylphosphoniummethylenetrifluoroborate","","- C19 H17 B F3 P -","- C19 H17 B F3 P -","- C38 H34 B2 F6 P2 -","2","1","LH5846","Bateman, Christopher M.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure of triphenylphosphoniummethylenetrifluoroborate","Acta Crystallographica Section E","2017","73","8","1140","1142","10.1107/S2056989017009884","","","0.71073","MoKα","","0.0758","0.0405","","","0.0827","0.0941","","","","","","1.023","","","","has coordinates,has Fobs","199146","2020-10-21","18:00:00",""
"2242177","7.1123","0.0002","7.7841","0.0002","13.3011","0.0005","87.604","0.003","84.299","0.003","72.447","0.003","698.57","0.04","100","2","100","","","","","","","","","5","P -1","-P 1","2","<i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate","<i>N</i>'-[(1<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C28 H28 Br2 N6 O6 -","2","1","HB7669","Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","<i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","630","636","10.1107/S2056989017004790","","","1.54184","CuKα","","0.0276","0.0268","","","0.0722","0.073","","","","","","1.059","","","","has coordinates,has Fobs","199147","2020-10-21","18:00:00",""
"2242178","18.4079","0.0007","14.0001","0.0005","19.9387","0.0007","90","","106.531","0.001","90","","4926.1","0.3","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate","","- C22 H30 Cl2 Cu N4 O8 -","- C22 H30 Cl2 Cu N4 O8 -","- C176 H240 Cl16 Cu8 N32 O64 -","8","2","ZL2706","Yang, Guang; Rybak-Akimova, Elena V.; Campana, Charles","{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate","Acta Crystallographica Section E","2017","73","7","1082","1086","10.1107/S2056989017009410","","","0.71073","MoKα","","0.0614","0.0378","","","0.0825","0.0909","","","","","","1.035","","","","has coordinates,has Fobs","199148","2020-10-21","18:00:00",""
"2242179","5.7011","0.0004","15.4836","0.001","16.2128","0.001","90","","90","","90","","1431.16","0.16","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-Amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C64 H68 N12 O4 -","4","1","ZS2381","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2017","73","7","1029","1032","10.1107/S205698901700857X","","","0.71073","MoKα","","0.0616","0.0453","","","0.123","0.1413","","","","","","1.048","","","","has coordinates,has Fobs","199149","2020-10-21","18:00:00",""
"2242180","16.0002","0.0003","19.389","0.0002","19.1631","0.0003","90","","100.073","0.0018","90","","5853.3","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(μ~2~-methanolato)-μ~3~-oxido-tris[(<i>E</i>)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III) perchlorate‒dichloromethane‒diethyl ether (1/1.096/0.906)","","- C49.71 H56.23 Cl6.19 Mn3 N6 O11.9 -","- C49.7122 H56.2324 Cl6.1924 Mn3 N6 O11.904 -","- C198.849 H224.93 Cl24.7696 Mn12 N24 O47.616 -","4","1","ZL2705","Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.","Tris(μ~2~-methanolato)-μ~3~-oxido-tris{[(<i>E</i>)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III)} perchlorate‒dichloromethane‒diethyl ether (1/1.1/0.9)","Acta Crystallographica Section E","2017","73","8","1113","1116","10.1107/S2056989017008982","","","0.71073","MoKα","","0.1258","0.0707","","","0.1433","0.1664","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","199150","2020-10-21","18:00:00",""
"2242181","5.4143","0.0002","5.4176","0.0002","11.92","0.0005","90","","90.977","0.001","90","","349.59","0.02","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4<i>S</i>,5<i>R</i>,6<i>S</i>)-4,5,6-Trihydroxy-3-methylcyclohex-2-enone","","- C7 H10 O4 -","- C7 H10 O4 -","- C14 H20 O8 -","2","1","RZ5209","Tibhe, Gaurao D.; Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Suescun, Leopoldo","Crystal structure and absolute configuration of (4<i>S</i>,5<i>R</i>,6<i>S</i>)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)","Acta Crystallographica Section E","2017","73","4","606","609","10.1107/S2056989017004509","","","1.54178","CuKα","","0.0333","0.033","","","0.0874","0.0877","","","","","","1.079","","","","has coordinates,has Fobs","199151","2020-10-21","18:00:00",""
"2242182","11.872","0.003","15.165","0.004","5.6079","0.0011","90","","91.41","0.02","90","","1009.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hydroxy-phenyl-acetic acid isopropyl ester","Isopropyl 2-hydroxy-2-phenylacetate","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Isaiev, Ivan; Shishkina, Svitlana; Ukrainets, Igor; Bevz, Elena","Crystal structure of isopropyl 2-hydroxy-2-phenylacetate: a pharmacopoeia reference standard","Acta Crystallographica Section E","2017","73","5","771","773","10.1107/S2056989017005862","","","0.71073","MoKα","","0.1599","0.09","","","0.2243","0.2545","","","","","","1.033","","","","has coordinates,has Fobs","199152","2020-10-21","18:00:00",""
"2242183","7.1975","0.001","11.448","0.002","9.645","0.002","90","","96.39","0.03","90","","789.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione","2,4-Bis(dimethylamino)-1,3-diethyl-1,3,2λ^5^,4λ^5^-diazadiphosphetidine-2,4-dithione","","- C8 H22 N4 P2 S2 -","- C8 H22 N4 P2 S2 -","- C16 H44 N8 P4 S4 -","2","0.5","PK2598","Issaoui, Chokri; Chebbi, Hammouda; Alouani, Khaled; Guesmi, Abderrahmen","Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe~2~]~2~","Acta Crystallographica Section E","2017","73","5","682","686","10.1107/S2056989017005187","","","0.71073","MoKα","","0.0479","0.0405","","","0.1194","0.1267","","","","","","1.084","","","","has coordinates,has Fobs","199153","2020-10-21","18:00:00",""
"2242184","30.6365","0.0016","5.0149","0.0003","8.9393","0.0005","90","","93.98","0.003","90","","1370.11","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-Didecylpyromellitic diimide","2,6-Didecylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetraone","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C60 H88 N4 O8 -","2","0.5","","Im, Hansu; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of <i>N</i>,<i>N</i>'-didecylpyromellitic diimide","Acta Crystallographica Section E","2017","73","6","838","841","10.1107/S2056989017006867","","","0.71073","MoKα","","0.0461","0.0409","","","0.1098","0.1133","","","","","","1.092","","","","has coordinates,has Fobs","199154","2020-10-21","18:00:00",""
"2242185","8.9901","0.0005","12.0059","0.0007","14.957","0.0009","90","","91.719","0.003","90","","1613.65","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tetramethylammonium) tetrachloridocuprate(II)","","- C8 H24 Cl4 Cu N2 -","- C8 H24 Cl4 Cu N2 -","- C32 H96 Cl16 Cu4 N8 -","4","1","IS5469","Seck, Gorgui Awa; Diop, Libasse; Oliver, Allen G.","Crystal structure of the monoclinic phase (phase IV) of bis(tetramethylammonium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2017","73","3","358","360","10.1107/S2056989017002146","","","0.71073","MoKα","","0.0988","0.0657","","","0.1309","0.1408","","","","","","1.117","","","","has coordinates,has Fobs","199155","2020-10-21","18:00:00",""
"2242186","7.119","0.001","8.519","0.001","13.366","0.002","105.34","0.02","90.45","0.01","103.38","0.02","758.4","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","Dibromo Methoxy Seselin (DBMS)","<i>rac</i>-(9<i>S</i>,10<i>R</i>)-3,9-Dibromo-10-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-<i>h</i>]chromen-2(8<i>H</i>)-one","","- C15 H14 Br2 O4 -","- C15 H14 Br2 O4 -","- C30 H28 Br4 O8 -","2","1","LH5842","Bauri, A. K.; Foro, Sabine; Rahman, A. F. M. M.","Crystal structure of dibromomethoxyseselin (DBMS), a photobiologically active pyranocoumarin","Acta Crystallographica Section E","2017","73","5","774","776","10.1107/S2056989017006132","","","0.71073","MoKα","","0.0535","0.0347","","","0.1024","0.1162","","","","","","0.849","","","","has coordinates,has Fobs","199156","2020-10-21","18:00:00",""
"2242187","9.6205","0.0003","10.8252","0.0003","11.5073","0.0003","97.836","0.002","102.72","0.002","95.047","0.002","1149.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide","","- C9 H8 N2 O2 S3 -","- C9 H8 N2 O2 S3 -","- C36 H32 N8 O8 S12 -","4","2","HB7673","Vu Quoc, Trung; Nguyen Ngoc, Linh; Nguyen Tien, Cong; Thang Pham, Chien; Van Meervelt, Luc","Crystal structure of <i>N</i>-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide","Acta Crystallographica Section E","2017","73","6","901","904","10.1107/S2056989017007629","","","0.71073","MoKα","","0.0453","0.0318","","","0.0711","0.077","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","199157","2020-10-21","18:00:00",""
"2242188","7.3036","0.001","7.2045","0.001","14.009","0.002","90","","94.736","0.004","90","","734.62","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluoroisatin-3-oxime","(3<i>Z</i>)-5-Fluoro-3-(hydroxyimino)indolin-2-one","","- C8 H5 F N2 O2 -","- C8 H5 F N2 O2 -","- C32 H20 F4 N8 O8 -","4","1","RZ5215","Martins, Bianca Barreto; Bresolin, Leandro; de Farias, Renan Lira; de Oliveira, Adriano Bof; Gervini, Vanessa Carratu","Crystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3<i>Z</i>)-5-fluoro-3-(hydroxyimino)indolin-2-one","Acta Crystallographica Section E","2017","73","7","987","992","10.1107/S2056989017008301","","","0.71073","MoKα","","0.0567","0.0404","","","0.0963","0.1082","","","","","","1.053","","","","has coordinates,has Fobs","199158","2020-10-21","18:00:00",""
"2242189","7.8555","0.0003","10.2748","0.0005","14.939","0.0007","90","","92.397","0.002","90","","1204.73","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3-Fluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H10 F N3 O2 -","- C13 H10 F N3 O2 -","- C52 H40 F4 N12 O8 -","4","1","SU5379","Jiajaroen, Suwadee; Chainok, Kittipong; Kielar, Filip","Crystal structure of (<i>E</i>)-<i>N</i>'-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2017","73","8","1151","1153","10.1107/S2056989017009926","","","0.71073","MoKα","","0.0623","0.0378","","","0.0885","0.1001","","","","","","1.043","","","","has coordinates,has Fobs","199159","2020-10-21","18:00:00",""
"2242190","9.8002","0.0004","10.6791","0.0005","10.6986","0.0004","111.364","0.004","102.346","0.003","111.311","0.004","890.75","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","1-(2-Hydroxybenzyl)-2-(2-hydroxyphenyl)-1<i>H</i>-benzimidazol-3-ium chloride","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C40 H34 Cl2 N4 O4 -","2","1","YK2108","Khan, Tuhin; Mishra, Navneet; Mhatre, Darshan S.; Datta, Anindya","Crystal structure and UV spectra of a 1,2-disubstituted benzimidazolium chloride","Acta Crystallographica Section E","2017","73","8","1143","1147","10.1107/S205698901700977X","","","0.71073","MoKα","","0.0492","0.0392","","","0.0971","0.1048","","","","","","1.044","","","","has coordinates,has Fobs","199160","2020-10-21","18:00:00",""
"2242191","13.2246","0.001","10.304","0.0008","11.7402","0.0009","90","","101.703","0.001","90","","1566.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium 1'-carboxyferrocene-1-carboxylate","","- C17 H16 Fe N2 O4 -","- C17 H16 Fe N2 O4 -","- C68 H64 Fe4 N8 O16 -","4","1","WM5388","Medved'ko, Aleksei V.; Churakov, Andrei V.; Yu, Haojie; Li, Wang; Vatsadze, Sergey Z.","Crystal structure of 3-aminopyridinium 1'-carboxyferrocene-1-carboxylate","Acta Crystallographica Section E","2017","73","6","856","858","10.1107/S2056989017007058","","","0.71073","MoKα","","0.0366","0.0271","","","0.0676","0.0726","","","","","","1.026","","","","has coordinates,has Fobs","199161","2020-10-21","18:00:00",""
"2242192","8.7203","0.0012","20.124","0.003","19.526","0.003","90","","100.405","0.002","90","","3370.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-(<i>N</i>-{2-[2,6-bis(propan-2-yl)phenylimino]pentan-3-ylidene}-\ 2,6-bis(propan-2-yl)aniline)dichloridopalladium(II) 1,2-dichloroethane monosolvate","","- C31 H46 Cl4 N2 Pd -","- C31 H46 Cl4 N2 Pd -","- C124 H184 Cl16 N8 Pd4 -","4","1","NK2238","Ellandula, Shravan Kumar; Opoku Amoako, Cosmos; Mague, Joel T.; Chandrasekaran, Perumalreddy","Crystal structure of unsymmetrical α-diimine palladium(II) complex <i>cis</i>-[{ArN=C(Me)‒(Et)C=NAr}PdCl~2~] [Ar = 2,6-(iPr)~2~C~6~H~3~]","Acta Crystallographica Section E","2017","73","8","1148","1150","10.1107/S2056989017009616","","","0.71073","MoKα","","0.0526","0.0362","","","0.0763","0.0841","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","199162","2020-10-21","18:00:00",""
"2242193","6.364","0.0017","9.627","0.003","6.8627","0.0018","90","","101.805","0.004","90","","411.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide","","- C4 H6 N10 O2 -","- C4 H6 N10 O2 -","- C8 H12 N20 O4 -","2","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.042","0.0362","","","0.0965","0.1022","","","","","","1.144","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242194","6.5312","0.0011","12.682","0.002","16.183","0.003","90","","97.118","0.003","90","","1330.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide","","- C5 H14 N16 O2 -","- C5 H14 N16 O2 -","- C20 H56 N64 O8 -","4","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.0541","0.037","","","0.0841","0.0932","","","","","","0.996","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242195","7.5893","0.0011","7.6077","0.0011","11.2319","0.0015","85.564","0.004","85.555","0.004","65.007","0.004","585.29","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","","- C4 H14 N12 O3 -","- C4 H14 N12 O3 -","- C8 H28 N24 O6 -","2","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1<i>H</i>-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1<i>H</i>-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.0373","0.0359","","","0.1042","0.1056","","","","","","1.115","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242196","10.9732","0.0002","19.4127","0.0003","22.1186","0.0002","114.172","0.0011","90.2641","0.0014","92.5256","0.0013","4293.07","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[1,2-Bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium","","- C46 H37 O7 P3 Ru3 -","- C46 H37 O7 P3 Ru3 -","- C184 H148 O28 P12 Ru12 -","4","2","IS5476","Kakizawa, Taeko","Crystal structure of [1,2-bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium","Acta Crystallographica Section E","2017","73","7","945","948","10.1107/S2056989017007770","","","0.71069","MoKα","","0.0659","0.0571","","","0.1385","0.1461","","","","","","1.146","","","","has coordinates,has Fobs","199164","2020-10-21","18:00:00",""
"2242197","8.2223","0.0003","14.1546","0.0005","12.7933","0.0004","90","","91.188","0.001","90","","1488.61","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.058","0.0572","","","0.16","0.1615","","","","","","1.069","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242198","8.4817","0.0015","8.6149","0.0015","12.167","0.002","109.875","0.005","91.9","0.005","114.19","0.005","747.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C28 H26 Cl4 N2 O4 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.1489","0.074","","","0.2218","0.2325","","","","","","1.018","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242199","12.2268","0.0006","7.0399","0.0003","17.313","0.0008","90","","100.409","0.001","90","","1465.7","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.0578","0.0575","","","0.1517","0.1521","","","","","","0.993","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242200","10.351","0.007","11.894","0.008","19.07","0.013","76.33","0.01","88.582","0.012","67.077","0.011","2095","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate","","- C38 H46 Cl2 N6 Ni O12 -","- C38 H46 Cl2 N6 Ni O12 -","- C76 H92 Cl4 N12 Ni2 O24 -","2","1","LH5845","Fu, Wei-Wei; Li, Ya-Qian; Liu, Yang; Chen, Man-Sheng; Li, Wei; Yang, Ying-Qun","An infinite two-dimensional hybrid water‒chloride network in a 4'-(furan-2-yl)-2,2':6',2''-terpyridine nickel(II) matrix","Acta Crystallographica Section E","2017","73","6","871","875","10.1107/S2056989017007095","","","0.71073","MoKα","","0.0714","0.0499","","","0.1314","0.1439","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","199168","2020-10-21","18:00:00",""
"2242201","5.6993","0.0007","12.0762","0.0013","16.6839","0.0019","90","","90","","90","","1148.3","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Benzoic acid‒<i>L</i>-proline (1/1)","Benzoic acid‒pyrrolidin-1-ium-2-carboxylate (1/1)","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","LH5828","Chesna, Aaron M.; Cox, Jordan M.; Basso, Sanjukta; Benedict, Jason B.","Hydrogen-bonded co-crystal structure of benzoic acid and zwitterionic <small>L</small>-proline","Acta Crystallographica Section E","2017","73","3","369","371","10.1107/S2056989017001785","","","0.71073","MoKα","","0.0611","0.0433","","","0.0806","0.0862","","","","","","1.055","","","","has coordinates,has Fobs","199169","2020-10-21","18:00:00",""
"2242202","9.5008","0.0015","13.22","0.002","13.584","0.002","90","","90","","90","","1706.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[taxodione]","(4b<i>S</i>)-4-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-3,9-dione","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","XU5903","Ke, Rui-Fang; Xu, Shi-Cheng; Song, Ping; Deng, Shi-Hao; Ma, Xin-Hua; Yang, Xin-Zhou","Crystal structure of taxodione isolated from <i>Taxodium ascendens</i> (B.)","Acta Crystallographica Section E","2017","73","7","1102","1104","10.1107/S205698901700946X","","","0.71073","MoKα","","0.0389","0.0343","","","0.0839","0.0875","","","","","","1.051","","","","has coordinates,has Fobs","199170","2020-10-21","18:00:00",""
"2242203","19.984","0.003","6.6328","0.0011","20.14","0.003","90","","106.818","0.002","90","","2555.4","0.7","104","2","104","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide","","- C26 H38 Cl N2 O P -","- C26 H38 Cl N2 O P -","- C104 H152 Cl4 N8 O4 P4 -","4","1","HB7671","Veinot, Alex J.; Hendsbee, Arthur D.; Masuda, Jason D.","Crystal structure of 2-chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide","Acta Crystallographica Section E","2017","73","5","735","737","10.1107/S2056989017005825","","","0.71073","MoKα","","0.068","0.0432","","","0.0965","0.1086","","","","","","1.04","","","","has coordinates,has Fobs","199171","2020-10-21","18:00:00",""
"2242204","9.8262","0.0005","13.4434","0.0007","9.4251","0.0008","90","","109.897","0.002","90","","1170.71","0.13","115","","115","","","","","","","","","3","C 1 c 1","C -2yc","9","","2-[3-Methoxy-4-(oxiran-2-ylmethoxy)benzyl]oxirane","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","SU5360","Vigier, Jordan; François, Camille; Pourchet, Sylvie; Boni, Gilles; Plasseraud, Laurent; Placet, Vincent; Fontaine, Stéphane; Cattey, Hélène","Crystal structure of the diglycidyl ether of eugenol","Acta Crystallographica Section E","2017","73","5","694","697","10.1107/S2056989017005370","","","0.71073","MoKα","","0.0456","0.0439","","","0.1191","0.1208","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","199172","2020-10-21","18:00:00",""
"2242205","11.4321","0.0017","6.6263","0.001","12.4819","0.0019","90","","110.788","0.003","90","","884","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,9-Dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","0.5","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0655","0.0618","","","0.1812","0.1839","","","","","","1.059","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242206","12.8058","0.0006","11.485","0.0006","6.9058","0.0003","90","","90","","90","","1015.67","0.08","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,7-Diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","0.5","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0539","0.0425","","","0.1114","0.1185","","","","","","1.026","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242207","7.7876","0.0005","19.4656","0.0012","21.7879","0.0013","90","","90","","90","","3302.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C136 H152 N24 O40 -","8","1","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0992","0.0509","","","0.1015","0.1243","","","","","","1.01","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242208","9.50481","0.00018","13.3872","0.0002","20.3322","0.0004","90","","93.0955","0.0019","90","","2583.35","0.08","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-2,2'-(2-bromo-5-<i>tert</i>-butyl-1,3-phenylene)bis(1-methyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C26 H25 Br Cl2 Hg N4 -","- C26 H25 Br Cl2 Hg N4 -","- C104 H100 Br4 Cl8 Hg4 N16 -","4","1","ZL2694","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of the mercury chloride complex of 2,2'-(2-bromo-5-<i>tert</i>-butyl-1,3-phenylene)bis(1-methyl-1<i>H</i>-benzimidazole)","Acta Crystallographica Section E","2017","73","3","341","344","10.1107/S2056989017001888","","","1.54184","CuKα","","0.0438","0.0376","","","0.098","0.1039","","","","","","1.074","","","","has coordinates,has Fobs","199174","2020-10-21","18:00:00",""
"2242209","6.9774","0.0005","6.8273","0.0005","19.4895","0.0014","90","","95.804","0.003","90","","923.66","0.12","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","FF2148","Elkin, Igor; Maris, Thierry; Hildgen, Patrice","Synthesis and characterization of 3-methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2017","73","7","1044","1047","10.1107/S2056989017008581","","","1.34139","GaKα","","0.0773","0.063","","","0.168","0.1831","","","","","","1.046","","","","has coordinates,has Fobs","199175","2020-10-21","18:00:00",""
"2242210","11.0758","0.0008","12.4989","0.0011","14.2425","0.0013","98.088","0.003","96.537","0.003","102.151","0.003","1887.2","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine","","- C26 H25 N -","- C26 H25 N -","- C104 H100 N4 -","4","2","FF2149","Al-Rubaye, Baidaa K.; Brink, Alice; Miller, Gary J.; Potgieter, Herman; Al-Jeboori, Mohamad J.","Crystal structure of (<i>E</i>)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine","Acta Crystallographica Section E","2017","73","7","1092","1096","10.1107/S2056989017009537","","","0.71073","MoKα","","0.0808","0.0489","","","0.113","0.1312","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","199176","2020-10-21","18:00:00",""
"2242211","14.807","0.003","5.8216","0.0012","4.0217","0.0009","90","","104.321","0.005","90","","335.9","0.12","270","","270","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C H O3 Rb -","- C H O3 Rb -","- C4 H4 O12 Rb4 -","4","0.5","PK2601","Larvor, Carla; Stöger, Berthold","The phase transition of rubidium hydrogen carbonate, RbHCO~3~","Acta Crystallographica Section E","2017","73","7","975","979","10.1107/S2056989017008271","","","0.71073","MoKα","","0.0452","0.0291","","","0.0608","0.0658","","","","","","1.26","","","","has coordinates,has Fobs","199177","2020-10-21","18:00:00",""
"2242212","14.945","0.003","5.8212","0.0009","3.9699","0.0006","89.343","0.004","104.096","0.004","92.748","0.009","334.59","0.1","200","","200","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C H O3 Rb -","- C H O3 Rb -","- C4 H4 O12 Rb4 -","4","","PK2601","Larvor, Carla; Stöger, Berthold","The phase transition of rubidium hydrogen carbonate, RbHCO~3~","Acta Crystallographica Section E","2017","73","7","975","979","10.1107/S2056989017008271","","","0.71073","MoKα","","0.0466","0.0375","","","0.0733","0.075","","","","","","1.5","","","","has coordinates,has Fobs","199177","2020-10-21","18:00:00",""
"2242213","14.3568","0.0008","27.0628","0.0013","5.5212","0.0002","90","","90","","90","","2145.18","0.18","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","<i>catena</i>-Poly[[[bis(ethylenediamine)platinum(II)]-μ-bromido-[bis(ethylenediamine)platinum(IV)]-μ-bromido] tetrakis(2-bromoethanesulfonate) dihydrate]","","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C32 H104 Br12 N16 O28 Pt4 S8 -","2","0.5","WM5394","Matsushita, Nobuyuki; Taira, Ayako; Taoka, Yoshiya","A one-dimensional bromide-bridged Pt^II^/Pt^IV^ mixed-valence complex with a 2-bromoethanesulfonate counter-ion","Acta Crystallographica Section E","2017","73","8","1108","1112","10.1107/S2056989017009598","","","0.71069","MoKα","","0.0654","0.0424","","","0.0941","0.1026","","","","","","1.03","","","","has coordinates,has Fobs","199178","2020-10-21","18:00:00",""
"2242214","10.0148","0.0012","17.343","0.002","15.627","0.0019","90","","105.948","0.002","90","","2609.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine","","- C26 H38 N5 P -","- C26 H38 N5 P -","- C104 H152 N20 P4 -","4","1","HB7680","Veinot, Alex J.; Blair, Amber D.; Masuda, Jason D.","Crystal structure of 2-azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine","Acta Crystallographica Section E","2017","73","6","905","907","10.1107/S2056989017007642","","","0.71073","MoKα","","0.065","0.0462","","","0.1123","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","199179","2020-10-21","18:00:00",""
"2242215","21.613","0.004","3.8867","0.0004","25.081","0.005","90","","115.37","0.02","90","","1903.7","0.6","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-hydroxyquinoline-2-carboxamide monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","XU5902","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Iryna V.; Shyshkina, Svitlana V.","Crystal structure of <i>N</i>-hydroxyquinoline-2-carboxamide monohydrate","Acta Crystallographica Section E","2017","73","5","795","797","10.1107/S2056989017005618","","","0.71073","MoKα","","0.075","0.0395","","","0.0851","0.0979","","","","","","0.969","","","","has coordinates,has Fobs","199180","2020-10-21","18:00:00",""
"2242216","7.9147","0.0005","16.2171","0.0011","22.5254","0.0016","90","","90","","90","","2891.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","","- C17 H11 F3 O4 -","- C17 H11 F3 O4 -","- C136 H88 F24 O32 -","8","1","HB7688","Low, John Nicolson; Gomes, Ligia R.; Gaspar, Alexandra; Borges, Fernanda","Structure of 7-hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2017","73","8","1130","1134","10.1107/S2056989017009896","","","0.71075","MoKα","","0.0446","0.0355","","","0.0947","0.103","","","","","","1.018","","","","has coordinates,has Fobs","199181","2020-10-21","18:00:00",""
"2242217","8.4709","0.0003","9.8287","0.0003","22.4299","0.0006","90","","90","","90","","1867.47","0.1","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","erioflorin","(1a<i>R</i>,3<i>S</i>,4<i>Z</i>,5a<i>R</i>,8a<i>R</i>,9<i>R</i>,10a<i>R</i>)-1a,2,3,5a,7,8,8a,9,10,10a-Decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6]cyclodeca[1,2-<i>b</i>]furan-9-yl methacrylate","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","ZL2693","Paz, Cristian; Ortiz, Leandro; Schilde, Uwe","Crystal structure of erioflorin isolated from <i>Podanthus mitiqui</i> (L.)","Acta Crystallographica Section E","2017","73","3","334","337","10.1107/S2056989017001700","","","0.71073","MoKα","","0.0497","0.0454","","","0.1134","0.1159","","","","","","1.086","","","","has coordinates,has Fobs","199182","2020-10-21","18:00:00",""
"2242218","9.4677","0.0006","25.7169","0.0013","9.5704","0.0005","90","","103.681","0.002","90","","2264.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-Ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde","","- C29 H24 N2 O S -","- C29 H24 N2 O S -","- C116 H96 N8 O4 S4 -","4","1","SU5357","Mahalakshmi, Vairavan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","Crystal structure of 10-ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde","Acta Crystallographica Section E","2017","73","5","726","728","10.1107/S2056989017005540","","","0.71073","MoKα","","0.0623","0.0404","","","0.093","0.1071","","","","","","1.032","","","","has coordinates,has Fobs","199183","2020-10-21","18:00:00",""
"2242219","20.42","0.0009","5.9477","0.0002","17.8414","0.0008","90","","123.607","0.003","90","","1804.69","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-(Ethane-1,2-diyl)bis(6-iodo-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","","- C18 H18 I2 N2 O2 -","- C18 H18 I2 N2 O2 -","- C72 H72 I8 N8 O8 -","4","0.5","HB7668","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","C—I···N short contacts as tools for the construction of the crystal packing in the crystal structure of 3,3'-(ethane-1,2-diyl)bis(6-iodo-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","Acta Crystallographica Section E","2017","73","5","664","666","10.1107/S2056989017005047","","","0.71073","MoKα","","0.0312","0.0299","","","0.0747","0.0755","","","","","","1.222","","","","has coordinates,has Fobs","199184","2020-10-21","18:00:00",""
"2242220","5.7574","0.0001","12.5703","0.0003","20.1888","0.0004","90","","90","","90","","1461.11","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-<i>O</i>-Benzoyl-2,3-<i>O</i>-isopropylidene-<i>D</i>-ribono-1,4-lactone","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Bortoluzzi, Adailton J.; Silveira, Gustavo P.; Sá, Marcus M.","Crystal structure of 5-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,4-lactone","Acta Crystallographica Section E","2017","73","3","407","409","10.1107/S2056989017002043","","","1.54178","CuKα","","0.0238","0.0236","","","0.0676","0.0681","","","","","","1.021","","","","has coordinates,has Fobs","199185","2020-10-21","18:00:00",""
"2242221","11.868","0.0003","12.5514","0.0003","6.4386","0.0002","90","","114.012","0.001","90","","876.09","0.04","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver cobalt iron tris(orthophosphate)","","- Ag6.62 Co6.56 Fe5.44 O48 P12 -","- Ag6.6152 Co6.56 Fe5.44 O48 P12 -","- Ag6.6152 Co6.56 Fe5.44 O48 P12 -","1","0.125","HP2074","Bouraima, Adam; Makani, Thomas; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag~1.655~Co~1.64~Fe~1.36~(PO~4~)~3~","Acta Crystallographica Section E","2017","73","6","890","892","10.1107/S205698901700740X","","","0.71073","MoKα","","0.0203","0.0195","","","0.0462","0.0466","","","","","","1.192","","","","has coordinates,has Fobs","199186","2020-10-21","18:00:00",""
"2242222","32.44","0.003","10.3197","0.0008","29.869","0.002","90","","110.629","0.008","90","","9358.1","1.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{2-[(Bis{[2-(methylsulfanyl)ethyl]aminomethyl}aminomethyl)amino]ethanethiolato}cobalt(III) bis(hexafluoridophosphate)","","- C11 H27 Co F12 N4 P2 S3 -","- C11 H27 Co F12 N4 P2 S3 -","- C176 H432 Co16 F192 N64 P32 S48 -","16","2","IS5473","Fukuda, Yosuke; Yoshinari, Nobuto; Konno, Takumi","Synthesis and crystallographic characterization of a mononuclear cobalt(III) complex possessing both thiolate and thioether donors: reactivity of an thiolate-bridged pentanuclear Co~2~Ag~3~ complex with iodomethane","Acta Crystallographica Section E","2017","73","5","678","681","10.1107/S2056989017005229","","","0.71075","MoKα","","0.0754","0.0556","","","0.1409","0.1523","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","199187","2020-10-21","18:00:00",""
"2242223","9.2867","0.0002","10.8741","0.0002","14.3038","0.0003","90","","90","","90","","1444.46","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzylcarbamoyl-1-methylpyridin-1-ium iodide","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","RK2435","Drebushchak, T. N.; Kryukov, Yu.A.; Rogova, A. I.; Boldyreva, E. V.","Crystal structure of 4-benzylcarbamoyl-1-methylpyridin-1-ium iodide: an efficient multimodal antiviral drug","Acta Crystallographica Section E","2017","73","7","967","970","10.1107/S2056989017008155","","","0.71073","MoKα","","0.0288","0.0237","","","0.0512","0.0534","","","","","","1.077","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2242224","7.8956","0.0003","8.9627","0.0003","15.0311","0.0004","102.263","0.007","93.97","0.007","114.219","0.008","933.23","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalrestat tetrahydrofuran monosolvate","(5<i>Z</i>)-5-[(2<i>E</i>)-2-Methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-acetic acid tetrahydrofuran monosolvate","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C38 H42 N2 O8 S4 -","2","1","SU5372","Umeda, Daiki; Putra, Okky Dwichandra; Gunji, Mihoko; Fukuzawa, Kaori; Yonemochi, Etsuo","Epalrestat tetrahydrofuran monosolvate: crystal structure and phase transition","Acta Crystallographica Section E","2017","73","7","941","944","10.1107/S2056989017007976","","","1.54187","CuKα","","0.0377","0.0364","","","0.0961","0.097","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","199189","2020-10-21","18:00:00",""
"2242225","9.4938","0.0007","11.5325","0.0008","11.3739","0.0009","90","","109.557","0.002","90","","1173.45","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-<i>s</i>-indacene","","- C28 H32 B N3 -","- C28 H32 B N3 -","- C56 H64 B2 N6 -","2","1","SJ5520","Yang, Lijing; Drew, Brett; Yalagala, Ravi Shekar; Chaviwala, Rameez; Simionescu, Razvan; Lough, Alan J.; Yan, Hongbin","Crystal structure and solvent-dependent behaviours of 3-amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-<i>s</i>-indacene","Acta Crystallographica Section E","2017","73","3","378","382","10.1107/S2056989017002213","","","0.71073","MoKα","","0.0638","0.0455","","","0.0947","0.1041","","","","","","1.026","","","","has coordinates,has Fobs","199190","2020-10-21","18:00:00",""
"2242226","5.0968","0.0001","8.8153","0.0001","25.6052","0.0003","90","","90","","90","","1150.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(-)-(<i>S</i>)-4-[(2<i>S</i>,3<i>S</i>,4<i>S</i>,<i>Z</i>)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","","- C11 H18 O4 -","- C11 H18 O4 -","- C44 H72 O16 -","4","1","","Morales-Rivera, Keyla F.; Piñero Cruz, Dalice M.; Prieto, Jose A.","Crystal structure of ({-})-(<i>S</i>)-4-[(2<i>S</i>,3<i>S</i>,4<i>S</i>,<i>Z</i>)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","Acta Crystallographica Section E","2017","73","7","1070","1072","10.1107/S2056989017009318","","","1.54184","CuKα","","0.033","0.0323","","","0.0934","0.0938","","","","","","1.256","","","","has coordinates,has Fobs","199191","2020-10-21","18:00:00",""
"2242227","5.6805","0.0003","8.3846","0.0005","21.4864","0.0012","99.191","0.001","92.719","0.001","91.701","0.001","1008.37","0.1","150","","150","","","","","","","","","3","P -1","-P 1","2","4-metacryloxyphenyl 4-<i>n</i>-hexyloxybenzoate","4-[(3-Methylbut-3-enoyl)oxy]phenyl 4-<i>n</i>-hexyloxybenzoate","","- C23 H26 O5 -","- C23 H26 O5 -","- C46 H52 O10 -","2","1","RK2436","Kuz'mina, Lyudmila G.; Konstantinov, Ivan I.; Churakov, Andrei V.; Navasardyan, Mger A.","Crystal structure of 4-[(3-methylbut-3-enoyl)oxy]phenyl 4-<i>n</i>-hexyloxybenzoate","Acta Crystallographica Section E","2017","73","7","1052","1055","10.1107/S2056989017008568","","","0.71073","MoKα","","0.0659","0.0445","","","0.1068","0.1173","","","","","","1.043","","","","has coordinates,has Fobs","199192","2020-10-21","18:00:00",""
"2242228","6.835","0.0006","6.835","0.0006","5.8318","0.0005","90","","90","","120","","235.94","0.04","297","2","297","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium copper(II) tantalum(V) trisulfide","","- Ba Cu0.34 S3 Ta0.66 -","- Ba Cu0.3334 S3 Ta0.6666 -","- Ba2 Cu0.6668 S6 Ta1.3332 -","2","0.0833333","WM5362","Bu, Kejun; He, Jianqiao; Wang, Dong; Zheng, Chong; Huang, Fuqiang","Crystal structure of the mixed-metal trisulfide BaCu~1/3~Ta~2/3~S~3~","Acta Crystallographica Section E","2017","73","5","713","715","10.1107/S2056989017005266","","","0.71073","MoKα","","0.0507","0.0425","","","0.1071","0.1126","","","","","","1.248","","","","has coordinates,has Fobs","199193","2020-10-21","18:00:00",""
"2242229","10.0304","0.0006","8.3355","0.0004","18.2581","0.0012","90","","90.547","0.008","90","","1526.46","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-\ κ<i>N</i>)cobalt(II)","","- C30 H24 Co N6 O2 S2 -","- C30 H24 Co N6 O2 S2 -","- C60 H48 Co2 N12 O4 S4 -","2","0.5","WM5365","Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2017","73","3","365","368","10.1107/S2056989017002201","","","0.71073","MoKα","","0.0423","0.0363","","","0.0923","0.0957","","","","","","1.044","","","","has coordinates,has Fobs","199194","2020-10-21","18:00:00",""
"2242230","28.2529","0.0011","28.2529","0.0011","4.2504","0.0003","90","","90","","90","","3392.8","0.3","123","2","123","2","","","","","","","","4","P 4/n","-P 4a","85","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C160 H128 N16 O32 -","8","","ZS2382","Forsyth, Craig M.; Francis, Craig L.","Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives","Acta Crystallographica Section E","2017","73","8","1125","1129","10.1107/S2056989017009641","","","1.54184","CuKα","","0.0504","0.0381","","","0.0947","0.1049","","","","","","1.034","","","","has coordinates,has Fobs","199195","2020-10-21","18:00:00",""
"2242231","11.6144","0.0006","11.8249","0.0005","19.0526","0.0009","75.102","0.002","77.31","0.002","83.321","0.002","2462","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","","- C30 H34 N4 O2 -","- C30 H34 N4 O2 -","- C120 H136 N16 O8 -","4","2","ZS2382","Forsyth, Craig M.; Francis, Craig L.","Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives","Acta Crystallographica Section E","2017","73","8","1125","1129","10.1107/S2056989017009641","","","0.71073","MoKα","","0.0819","0.0467","","","0.0967","0.113","","","","","","1.027","","","","has coordinates,has Fobs","199195","2020-10-21","18:00:00",""
"2242232","5.6955","0.0014","3.8408","0.0005","14.592","0.004","90","","91.631","0.019","90","","319.07","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","<i>N</i>'-Aminopyridine-2-carboximidamide","","- C6 H8 N4 -","- C6 H8 N4 -","- C12 H16 N8 -","2","1","NK2236","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.1019","0.072","","","0.1784","0.1928","","","","","","0.874","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242233","6.6899","0.0005","18.93","0.002","9.6561","0.0011","90","","90","","90","","1222.8","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-{[1-(Pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.083","0.0399","","","0.0753","0.0847","","","","","","0.828","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242234","9.4257","0.0004","12.2054","0.0005","13.2067","0.0006","62.979","0.003","82.329","0.003","87.145","0.003","1341.29","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenyl <i>N</i>-(3,5-dimethylphenyl)carbamate","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","2","SU5370","AaminaNaaz, Y.; Sathiyaraj, Subramaniyan; Kalaimani, Sundararaj; Nasar, A. Sultan; SubbiahPandi, A.","Crystal structure of phenyl <i>N</i>-(3,5-dimethylphenyl)carbamate","Acta Crystallographica Section E","2017","73","6","849","852","10.1107/S2056989017006922","","","0.71073","MoKα","","0.0737","0.0462","","","0.1145","0.1431","","","","","","1.09","","","","has coordinates,has Fobs","199197","2020-10-21","18:00:00",""
"2242235","6.664","0.003","8.754","0.004","8.925","0.004","103.065","0.004","110.14","0.004","92.776","0.005","471.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]","","- C18 H10 Ca2 Cu O14 -","- C18 H10 Ca2 Cu O14 -","- C18 H10 Ca2 Cu O14 -","1","0.5","XU5901","Zhang, Feng; Zhang, Bing-Guang","Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]","Acta Crystallographica Section E","2017","73","6","835","837","10.1107/S205698901700665X","","","0.71073","MoKα","","0.0295","0.0287","","","0.0823","0.0836","","","","","","1.038","","","","has coordinates,has Fobs","199198","2020-10-21","18:00:00",""
"2242236","4.5787","0.0002","14.7986","0.0007","22.3732","0.0012","90","","92.13","0.005","90","","1514.92","0.13","123.01","0.11","123.01","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Acetyl-2-methylphenyl)quinoline-2-carboxamide","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three <i>N</i>-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","1.54184","CuKα","","0.0438","0.0382","","","0.1006","0.1056","","","","","","1.044","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242237","4.29848","0.00012","11.6353","0.0003","15.5888","0.0004","103.788","0.002","95.515","0.002","96.195","0.002","746.76","0.04","123.1","0.4","123.1","0.4","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(5-Acetyl-2-bromophenyl)quinoline-2-carboxamide","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C36 H26 Br2 N4 O4 -","2","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three <i>N</i>-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","1.54184","CuKα","","0.0245","0.0238","","","0.0641","0.0648","","","","","","1.046","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242238","7.3075","0.0006","8.2605","0.0004","13.8196","0.0009","92.734","0.005","100.608","0.006","108.989","0.006","770.11","0.1","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(5-Acetyl-2-ethynylphenyl)quinoline-2-carboxamide","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three <i>N</i>-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","0.71073","MoKα","","0.0802","0.0558","","","0.1369","0.1507","","","","","","1.044","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242239","18.67","0.002","12.8309","0.0015","14.0146","0.0016","90","","107.193","0.002","90","","3207.2","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuTMPEN","{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine-κ^6^<i>N</i>}copper(II) bis(tetrafluoridoborate)","","- C30 H36 B2 Cu F8 N6 -","- C30 H36 B2 Cu F8 N6 -","- C120 H144 B8 Cu4 F32 N24 -","4","0.5","PJ2042","Chen, Lin; Guo, Yakun; Ren, Gan; Sang, Ge","Crystal structure of [Cu(tmpen)](BF~4~)~2~ {tmpen is <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}","Acta Crystallographica Section E","2017","73","4","640","643","10.1107/S2056989017004492","","","0.71073","MoKα","","0.0385","0.0339","","","0.0933","0.0966","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","199200","2020-10-21","18:00:00",""
"2242240","7.3757","0.0003","13.7306","0.0005","16.4473","0.0006","90","","100.002","0.001","90","","1640.35","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2<i>H</i>-benzo[<i>h</i>]chromene-5,6-dione","","- C19 H13 Cl O3 Se -","- C19 H13 Cl O3 Se -","- C76 H52 Cl4 O12 Se4 -","4","1","WM5392","Zukerman-Schpector, Julio; Prado, Karinne E.; Name, Luccas L.; Cella, Rodrigo; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2<i>H</i>-benzo[<i>h</i>]chromene-5,6-dione: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","6","918","924","10.1107/S2056989017007605","","","0.71073","MoKα","","0.0303","0.0257","","","0.0658","0.0684","","","","","","1.032","","","","has coordinates,has Fobs","199201","2020-10-21","18:00:00",""
"2242241","6.243","0.003","6.349","0.003","8.153","0.004","96.57","0.02","104.45","0.03","103.08","0.04","299.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium chromium aluminium diarsenate, KCr~1/4~Al~3/4~As~2~O~7~","","- Al0.75 As2 Cr0.25 K O7 -","- Al0.745 As2 Cr0.255 K O7 -","- Al1.49 As4 Cr0.51 K2 O14 -","2","1","PJ2041","Bouhassine, Mohamad Alem; Boughzala, Habib","New mixed aluminium‒chromium diarsenate","Acta Crystallographica Section E","2017","73","3","345","348","10.1107/S2056989017001797","","","0.71073","MoKα","","0.0286","0.023","","","0.0566","0.0586","","","","","","1.081","","","","has coordinates,has Fobs","199202","2020-10-21","18:00:00",""
"2242242","7.551","0.0004","17.8689","0.0009","12.6834","0.0006","90","","109.95","0.0014","90","","1608.65","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2-({2-[(2-Aminobenzylidene)amino]benzylidene}amino)-4-chlorophenolate]nickel(II)","","- C20 H14 Cl N3 Ni O -","- C20 H14 Cl N3 Ni O -","- C80 H56 Cl4 N12 Ni4 O4 -","4","1","IS5472","Kobayashi, Fumiya; Koga, Atsushi; Ohtani, Ryo; Hayami, Shinya; Nakamura, Masaaki","Crystal structure of [2-({2-[(2-azanidylbenzylidene)amino]benzylidene}amino)-4-chlorophenolato]nickel(II)","Acta Crystallographica Section E","2017","73","4","637","639","10.1107/S2056989017004613","","","0.71075","MoKα","","0.048","0.0417","","","0.1003","0.1031","","","","","","1.04","","","","has coordinates,has Fobs","199203","2020-10-21","18:00:00",""
"2242243","11.0921","0.001","14.8876","0.0014","7.207","0.0007","90","","90","","90","","1190.13","0.19","125","2","125.12","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(<i>S</i>)-<i>sec</i>-Butylammonium <i>L</i>-tartrate monohydrate","","- C8 H19 N O7 -","- C8 H19 N O7 -","- C32 H76 N4 O28 -","4","1","","Publicover, Ernlie A.; Kolwich, Jennifer; Stack, Darcie L.; Doué, Alyssa J.; Ylijoki, Kai E. O.","Crystal structure of (<i>S</i>)-<i>sec</i>-butylammonium <small>L</small>-tartrate monohydrate","Acta Crystallographica Section E","2017","73","5","716","719","10.1107/S2056989017005448","","","0.71073","MoKα","","0.0468","0.0403","","","0.0984","0.1036","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199204","2020-10-21","18:00:00",""
"2242244","8.4849","0.0011","15.407","0.003","14.157","0.002","90","","102.598","0.016","90","","1806.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3<i>S</i>*,4<i>R</i>*)-4-Fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-\ tetrahydroisoquinoline-4-carboxylic acid","","- C23 H18 F N O4 -","- C23 H18 F N O4 -","- C92 H72 F4 N4 O16 -","4","1","SU5371","Lehmann, Anna; Lechner, Lisa; Radacki, Krzysztof; Braunschweig, Holger; Holzgrabe, Ulrike","Crystal structure of (3<i>S</i>*,4<i>R</i>*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid","Acta Crystallographica Section E","2017","73","6","867","870","10.1107/S2056989017007186","","","0.71073","MoKα","","0.0331","0.0318","","","0.0795","0.0807","","","","","","1.047","","","","has coordinates,has Fobs","199205","2020-10-21","18:00:00",""
"2242245","7.4736","0.0012","10.8091","0.0016","9.4065","0.0014","90","","111.098","0.012","90","","708.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilead(II) oxochromate(VI) oxotellurate(IV)","","- Cr O7 Pb2 Te -","- Cr O7 Pb2 Te -","- Cr4 O28 Pb8 Te4 -","4","1","HB7677","Weil, Matthias","Crystal structure of dilead(II) oxochromate(VI) oxotellurate(IV)","Acta Crystallographica Section E","2017","73","6","853","855","10.1107/S2056989017006995","","","0.71073","MoKα","","0.0478","0.0309","","","0.0644","0.0697","","","","","","1.062","","","","has coordinates,has Fobs","199206","2020-10-21","18:00:00",""
"2242246","10.65854","0.00019","8.16642","0.00014","18.0595","0.0003","90","","96.4701","0.0015","90","","1561.93","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Co N10 O12 S2 -","- C18 H36 Co N10 O12 S2 -","- C36 H72 Co2 N20 O24 S4 -","2","0.5","RZ5216","El Hamdani, H.; El Amane, M.; Duhayon, C.","Crystal structure of the tetraaquabis(thiocyanato-κ<i>N</i>)cobalt(II)‒caffeine‒water (1/2/4) co-crystal","Acta Crystallographica Section E","2017","73","7","980","982","10.1107/S2056989017008180","","","0.71073","MoKα","","0.0265","0.0232","","0.0247","0.0223","0.0219","","","","","","1.1285","","","","has coordinates,has Fobs","199207","2020-10-21","18:00:00",""
"2242247","17.5509","0.00012","4.85939","0.00003","22.83423","0.00016","90","","106.743","0.0007","90","","1864.9","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1,4-dihydronaphthalene-1,4-dione‒1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (1/1)","","- C24 H13 Br O6 -","- C24 H13 Br O6 -","- C96 H52 Br4 O24 -","4","1","WM5383","Tonin, Marlon D. L.; Garden, Simon J.; Jotani, Mukesh M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","The 1:1 co-crystal of 2-bromonaphthalene-1,4-dione and 1,8-dihydroxyanthracene-9,10-dione: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","5","738","745","10.1107/S2056989017005667","","","1.54184","CuKα","","0.0248","0.0247","","","0.0748","0.0749","","","","","","1.024","","","","has coordinates","199208","2020-10-21","18:00:00",""
"2242248","23.7716","0.0006","7.0073","0.0002","9.0909","0.0002","90","","90.086","0.002","90","","1514.31","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2,4-dimethylphenyl)acetamide","","- C14 H17 N5 O S -","- C14 H17 N5 O S -","- C56 H68 N20 O4 S4 -","4","1","SU5373","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2,4-dimethylphenyl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-methoxyphenyl)acetamide","Acta Crystallographica Section E","2017","73","7","996","1000","10.1107/S2056989017008143","","","0.71073","MoKα","","0.058","0.0399","","","0.1082","0.1193","","","","","","1.056","","","","has coordinates,has Fobs","199209","2020-10-21","18:00:00",""
"2242249","8.014","0.005","8.724","0.005","12.068","0.005","106.561","0.005","97.888","0.005","110.461","0.005","730.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C26 H30 N10 O4 S2 -","2","1","SU5373","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2,4-dimethylphenyl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-methoxyphenyl)acetamide","Acta Crystallographica Section E","2017","73","7","996","1000","10.1107/S2056989017008143","","","0.71073","MoKα","","0.0417","0.0365","","","0.1037","0.1102","","","","","","0.814","","","","has coordinates,has Fobs","199209","2020-10-21","18:00:00",""
"2242250","11.75","0.004","13.805","0.001","14.737","0.002","68.622","0.011","67.78","0.019","88.557","0.015","2043","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","<i>rac</i>-(2<i>S</i>,2'<i>S</i>,5'<i>R</i>)-2-Methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>R</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2<i>H</i>)-one","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","2","RZ5214","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of a new spiro-polytetrahydrofuran compound with translational pseudosymmetry: <i>rac</i>-(2<i>S</i>,2'<i>S</i>,5'<i>R</i>)-2-methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>R</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2<i>H</i>)-one","Acta Crystallographica Section E","2017","73","5","780","784","10.1107/S2056989017006065","","","0.71073","MoKα","","0.1092","0.0523","","","0.1002","0.1231","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199210","2020-10-21","18:00:00",""
"2242251","16.6868","0.0005","4.96","0.0001","17.2353","0.0006","90","","105.909","0.003","90","","1371.87","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C64 H52 N12 O4 S4 -","4","1","MW2132","Simpson, Jim; Mohamed, Shaaban K.; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of 5-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2017","73","7","1066","1069","10.1107/S2056989017009252","","","1.54184","CuKα","","0.0479","0.045","","","0.1213","0.1254","","","","","","1.062","","","","has coordinates,has Fobs","199211","2020-10-21","18:00:00",""
"2242252","16.4313","0.0007","7.1909","0.0003","24.7345","0.0011","90","","90","","90","","2922.5","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Bis[(<i>E</i>)-benzylideneamino)propan-2-ol","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","1","SJ5523","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(<i>E</i>)-benzylideneamino]propan-2-ol","Acta Crystallographica Section E","2017","73","4","627","629","10.1107/S2056989017004741","","","0.71073","MoKα","","0.0582","0.0464","","","0.1049","0.1106","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","199212","2020-10-21","18:00:00",""
"2242253","10.4173","0.0005","10.9849","0.0005","12.0002","0.0006","72.769","0.002","84.623","0.002","89.244","0.002","1305.66","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(Adamantan-1-yl)-4-(4-fluorophenyl)-1-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C29 H34 F N5 S -","- C29 H34 F N5 S -","- C58 H68 F2 N10 S2 -","2","1","SU5368","Al-Alshaikh, Monirah A.; Al-Mutairi, Aamal A.; Ghabbour, Hazem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Syntheses and crystal structures of two adamantyl-substituted 1,2,4-triazole-5-thione <i>N</i>-Mannich bases","Acta Crystallographica Section E","2017","73","8","1135","1139","10.1107/S2056989017009756","","","0.71073","MoKα","","0.1175","0.0606","","","0.1377","0.1628","","","","","","1.03","","","","has coordinates,has Fobs","199213","2020-10-21","18:00:00",""
"2242254","11.3074","0.0007","12.1576","0.0008","20.4976","0.0013","90","","101.328","0.002","90","","2762.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(Adamantan-1-yl)-4-(4-fluorophenyl)-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C30 H36 F N5 O S -","- C30 H36 F N5 O S -","- C120 H144 F4 N20 O4 S4 -","4","1","SU5368","Al-Alshaikh, Monirah A.; Al-Mutairi, Aamal A.; Ghabbour, Hazem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Syntheses and crystal structures of two adamantyl-substituted 1,2,4-triazole-5-thione <i>N</i>-Mannich bases","Acta Crystallographica Section E","2017","73","8","1135","1139","10.1107/S2056989017009756","","","0.71073","MoKα","","0.1405","0.0548","","","0.1067","0.1327","","","","","","1.01","","","","has coordinates,has Fobs","199213","2020-10-21","18:00:00",""
"2242255","6.819","0.0003","7.7062","0.0003","21.7492","0.0009","90","","90","","90","","1142.89","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-1-phenylindoline-2,3-dione","","- C14 H8 Cl N O2 -","- C14 H8 Cl N O2 -","- C56 H32 Cl4 N4 O8 -","4","1","HB7661","Wang, Bing; Lu, Qing; Fang, Qi; Zhang, Ting-ting; Jin, Ying-ying","6-Chloro-1-phenylindoline-2,3-dione: absolute structure, non-linear optical and charge-transport properties","Acta Crystallographica Section E","2017","73","6","908","912","10.1107/S2056989017007630","","","0.71073","MoKα","","0.0348","0.0317","","","0.0877","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","199214","2020-10-21","18:00:00",""
"2242256","5.2945","0.0002","5.2945","0.0002","11.747","0.0005","90","","90","","90","","329.29","0.02","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","sodium pertechnetate","Sodium pertechnetate","","- Na O4 Tc -","- Na O4 Tc -","- Na4 O16 Tc4 -","4","","WM5391","German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.","Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data","Acta Crystallographica Section E","2017","73","7","1037","1040","10.1107/S2056989017008362","","","0.71073","MoKα","","0.0098","0.0092","","","0.0166","0.0168","","","","","","1.31","","","","has coordinates,has Fobs","199215","2020-10-21","18:00:00",""
"2242257","5.3325","0.0001","5.3325","0.0001","11.8503","0.0003","90","","90","","90","","336.97","0.012","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","sodium pertechnetate","Sodium tetraoxidotechnetate(VII)","","- Na O4 Tc -","- Na O4 Tc -","- Na4 O16 Tc4 -","4","0.25","WM5391","German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.","Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data","Acta Crystallographica Section E","2017","73","7","1037","1040","10.1107/S2056989017008362","","","0.71073","MoKα","","0.0087","0.0081","","","0.0184","0.0186","","","","","","1.161","","","","has coordinates,has Fobs","199215","2020-10-21","18:00:00",""
"2242258","13.412","0.003","11.421","0.002","15.441","0.003","90","","110.5","0.03","90","","2215.4","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate","","- C20 H18 Co N6 O8 S -","- C20 H18 Co N6 O8 S -","- C80 H72 Co4 N24 O32 S4 -","4","1","WM5395","Li, Guo-Ling; Sato, Osamu","A compressed octahedral cobalt(II) complex in the crystal structure of diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate","Acta Crystallographica Section E","2017","73","7","993","995","10.1107/S2056989017008428","","","0.71073","MoKα","","0.059","0.0417","","","0.0828","0.0898","","","","","","1.061","","","","has coordinates,has Fobs","199216","2020-10-21","18:00:00",""
"2242259","5.1833","0.0007","30.341","0.004","10.6339","0.0015","90","","97.91","0.009","90","","1656.4","0.4","91","2","91","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2,5-Dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","HG5486","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structures of the polymer precursors 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate and 3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","Acta Crystallographica Section E","2017","73","5","658","663","10.1107/S2056989017004959","","","0.71073","MoKα","","0.0758","0.0518","","","0.1238","0.1382","","","","","","1.03","","","","has coordinates,has Fobs","199217","2020-10-21","18:00:00",""
"2242260","4.4096","0.0002","11.8425","0.0006","28.2511","0.0016","90","","93.495","0.003","90","","1472.55","0.13","89","2","89","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2,4,5-Trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","HG5486","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structures of the polymer precursors 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate and 3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","Acta Crystallographica Section E","2017","73","5","658","663","10.1107/S2056989017004959","","","0.71073","MoKα","","0.0772","0.0491","","","0.1202","0.1379","","","","","","1.037","","","","has coordinates,has Fobs","199217","2020-10-21","18:00:00",""
"2242261","7.5941","0.0006","10.0703","0.0006","7.8286","0.0006","90","","112.402","0.009","90","","553.51","0.08","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Murray <i>N</i>-oxide catalyst","1-Methylimidazole 3-<i>N</i>-oxide monohydrate","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","2","HB7643","Frampton, Christopher S.; Murray, James I.; Spivey, Alan C.","Crystal structure of 1-methylimidazole 3-oxide monohydrate","Acta Crystallographica Section E","2017","73","3","372","374","10.1107/S2056989017002079","","","1.54184","CuKα","","0.0461","0.0415","","","0.1143","0.1192","","","","","","1.013","","","","has coordinates,has Fobs","199218","2020-10-21","18:00:00",""
"2242262","12.0367","0.001","7.2497","0.0004","16.1396","0.0013","90","","94.404","0.01","90","","1404.22","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(methanol-κ<i>O</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(thiocyanato-\ κ<i>N</i>)cobalt(II)","","- C28 H26 Co N4 O4 S2 -","- C28 H26 Co N4 O4 S2 -","- C56 H52 Co2 N8 O8 S4 -","2","0.5","WM5377","Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of bis(4-benzoylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2017","73","4","616","619","10.1107/S2056989017004765","","","0.71073","MoKα","","0.0592","0.0519","","","0.1421","0.1489","","","","","","1.076","","","","has coordinates,has Fobs","199219","2020-10-21","18:00:00",""
"2242263","9.0447","0.0012","6.8764","0.0009","10.9021","0.0014","90","","92.959","0.002","90","","677.15","0.15","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","MIAN","(<i>E</i>)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one","","- C18 H10 Cl N O -","- C18 H10 Cl N O -","- C36 H20 Cl2 N2 O2 -","2","0.5","","Bao, Lipiao; Olmstead, Marilyn M.","A temperature-dependent phase transformation of (<i>E</i>)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one","Acta Crystallographica Section E","2017","73","8","1255","1258","10.1107/S2056989017010659","","","0.71073","MoKα","","0.0487","0.039","","","0.0914","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","199343","2020-10-21","18:00:00",""
"2242264","9.0764","0.001","6.8187","0.0008","10.745","0.0012","90.88","0.002","92.78","0.002","96.259","0.002","660.12","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","MIAN","(<i>E</i>)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one","","- C18 H10 Cl N O -","- C18 H10 Cl N O -","- C36 H20 Cl2 N2 O2 -","2","1","","Bao, Lipiao; Olmstead, Marilyn M.","A temperature-dependent phase transformation of (<i>E</i>)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one","Acta Crystallographica Section E","2017","73","8","1255","1258","10.1107/S2056989017010659","","","0.71073","MoKα","","0.0341","0.0311","","","0.0897","0.0919","","","","","","1.078","","","","has coordinates,has Fobs","199343","2020-10-21","18:00:00",""
"2242265","11.4012","0.0004","13.8443","0.0005","17.0264","0.0008","99.134","0.003","95.917","0.003","103.941","0.003","2547.07","0.18","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","Hexamethyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy)]hexabenzoate","","- C48 H42 N3 O18 P3 -","- C48 H42 N3 O18 P3 -","- C96 H84 N6 O36 P6 -","2","1","RZ5218","Zhu, Jing; Hou, Guo Hui; Li, Qian; Zheng, Fu Wei; Wei, Hong Liang; Chu, Hui Juan; Wang, Gang; He, Juan; Qu, Ling Bo","Crystal structure of hexamethyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy)]hexabenzoate","Acta Crystallographica Section E","2017","73","8","1252","1254","10.1107/S2056989017010325","","","1.54184","CuKα","","0.0753","0.0575","","","0.1661","0.1813","","","","","","1.026","","","","has coordinates,has Fobs","199344","2020-10-21","18:00:00",""
"2242266","10.656","0.006","14.765","0.008","20.757","0.011","90","","98.378","0.008","90","","3231","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)diphenylphosphine oxide","","- C18 H18 N O P -","- C18 H18 N O P -","- C144 H144 N8 O8 P8 -","8","1","WM5405","Kang, Sung Kwon; Choi, Eung Man; Son, Kyung-sun","Crystal structure of (3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)diphenylphosphine oxide","Acta Crystallographica Section E","2017","73","8","1268","1270","10.1107/S2056989017010994","","","0.71073","MoKα","","0.059","0.0461","","","0.1265","0.1358","","","","","","1.065","","","","has coordinates,has Fobs","199408","2020-10-21","18:00:00",""
"2242267","7.9623","0.0001","8.1806","0.0002","15.6919","0.0003","97.852","0.007","99.837","0.007","113.206","0.008","901.83","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalerstat acetone monosolvate","(5<i>Z</i>)-5-[(2<i>E</i>)-2-Methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-acetic acid acetone monosolvate","","- C18 H19 N O4 S2 -","- C18 H19 N O4 S2 -","- C36 H38 N2 O8 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Fukuzawa, Kaori; Gunji, Mihoko; Yonemochi, Etsuo","A new solvate of epalerstat, a drug for diabetic neuropathy","Acta Crystallographica Section E","2017","73","8","1264","1267","10.1107/S2056989017010751","","","1.54187","CuKα","","0.0542","0.0504","","","0.1346","0.1373","","","","","","1.105","","","","has coordinates,has Fobs","199409","2020-10-21","18:00:00",""
"2242268","13.709","0.002","14.198","0.002","23.339","0.002","72.878","0.01","82.765","0.015","77.051","0.014","4222.2","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","<i>rac</i>-(2<i>R</i>,2'<i>R</i>,5'<i>S</i>)-2-Methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>S</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2<i>H</i>)-one","","- C22 H34 O6 -","- C22 H34 O6 -","- C176 H272 O48 -","8","4","ZQ2238","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Pseudosymmetry and high <i>Z</i>' structures: the case of <i>rac</i>-(2<i>R</i>,2'<i>R</i>,5'<i>S</i>)-2-methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>S</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2<i>H</i>)-one","Acta Crystallographica Section E","2017","73","9","1282","1286","10.1107/S2056989017010805","","","0.71073","MoKα","","0.1745","0.0667","","","0.1256","0.1569","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","199458","2020-10-21","18:00:00",""
"2242269","7.6995","0.0006","9.2634","0.0008","17.9198","0.0014","90.97","0.004","92.039","0.004","110.902","0.004","1192.64","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4'-{[2-(5,6-Dihydro-[1,3]dithiolo[4,5-<i>b</i>][1,4]dioxin-2-ylidene)-1,3-dithiole-4,5-diyl]bis(sulfanediyl)}dibenzoic acid 0.25-hydrate","","- C22 H14.5 O6.25 S6 -","- C22 H14.5 O6.25 S6 -","- C44 H29 O12.5 S12 -","2","1","IS5477","Zhang, Yuanyuan; He, Qiqian; Bao, Huijie; Wang, Lejia; Xiao, Xunwen","Crystal structure of ethylenedioxytetrathiafulvalene-4,5-bis(thiolbenzoic acid) 0.25-hydrate","Acta Crystallographica Section E","2017","73","9","1275","1278","10.1107/S2056989017011070","","","0.71073","MoKα","","","0.045","","","0.1062","0.119","","","","","","1.083","","","","has coordinates,has Fobs","199459","2020-10-21","18:00:00",""
"2242270","7.712","0.002","8.554","0.002","10.461","0.002","88.58","0.03","89.82","0.03","73.97","0.03","663.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","potassium indium diarsenate","Potassium indium diarsenate(V)","","- As2 In K O7 -","- As2 In K O7 -","- As8 In4 K4 O28 -","4","2","PK2604","Schwendtner, Karolina; Kolitsch, Uwe","KInAs~2~O~7~, a new diarsenate with the TlInAs~2~O~7~ structure type","Acta Crystallographica Section E","2017","73","9","1294","1297","10.1107/S2056989017011318","","","0.71073","MoKα","","0.0212","0.019","","","0.0425","0.0431","","","","","","1.157","","","","has coordinates,has Fobs","199557","2020-10-21","18:00:00",""
"2242271","7.3948","0.0011","9.4609","0.0013","13.5183","0.0019","90","","95.771","0.002","90","","941","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(<i>E</i>)-Styryl]-1,3,4-oxathiazol-2-one","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","HB7694","Nason, Trevor R.; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(<i>E</i>)-styryl]-1,3,4-oxathiazol-2-one","Acta Crystallographica Section E","2017","73","9","1298","1301","10.1107/S2056989017011264","","","0.71073","MoKα","","0.0474","0.0398","","","0.0977","0.1067","","","","","","1.065","","","","has coordinates,has Fobs","199558","2020-10-21","18:00:00",""
"2242272","13.637","0.002","6.8965","0.0016","11.817","0.003","90","","109.28","0.02","90","","1049","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","0.5","FF2150","Castro Agudelo, Brian; Cárdenas, Juan C.; Macías, Mario A.; Ochoa-Puentes, Cristian; Sierra, Cesar A.","Crystal structure of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate: two conformers forming a discrete disorder","Acta Crystallographica Section E","2017","73","9","1287","1289","10.1107/S2056989017010799","","","0.71073","MoKα","","0.0511","0.0468","","","0.1215","0.1259","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","199559","2020-10-21","18:00:00",""
"2242273","5.6859","0.0003","5.6859","0.0003","5.6099","0.0003","90","","90","","120","","157.067","0.014","293.15","","293.15","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cerium(IV) bis(phosphite)","","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","1","0.0833333","WM5407","Byer, Stefano H.; Villa, Eric M.","Synthesis and crystal structure of cerium(IV) bis(phosphite)","Acta Crystallographica Section E","2017","73","9","1290","1293","10.1107/S205698901701115X","","","0.71073","MoKα","","0.0098","0.0098","","","0.0293","0.0293","","","","","","1.258","","","","has coordinates","199560","2020-10-21","18:00:00",""
"2242274","10.6089","0.0003","22.7141","0.0005","8.8959","0.0002","90","","122.211","0.001","90","","1813.73","0.08","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate","","- C18 H24 N2 O2 S -","- C18 H24 N2 O2 S -","- C72 H96 N8 O8 S4 -","4","1","LH5849","Sagar, Belakavadi K.; Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","Acta Crystallographica Section E","2017","73","9","1320","1325","10.1107/S2056989017011446","","","1.54178","CuKα","","0.0285","0.0276","","","0.0714","0.0722","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","199668","2020-10-21","18:00:00",""
"2242275","10.7928","0.0002","6.9591","0.0001","28.0176","0.0005","90","","97.408","0.001","90","","2086.79","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 2,4,6-trinitrophenolate","","- C17 H21 N5 O7 S -","- C17 H21 N5 O7 S -","- C68 H84 N20 O28 S4 -","4","1","LH5849","Sagar, Belakavadi K.; Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","Acta Crystallographica Section E","2017","73","9","1320","1325","10.1107/S2056989017011446","","","1.54178","CuKα","","0.0731","0.0525","","","0.1264","0.1388","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","199668","2020-10-21","18:00:00",""
"2242276","13.5654","0.0004","20.0993","0.0006","14.3329","0.0004","90","","99.658","0.003","90","","3852.5","0.2","293.57","0.1","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium chloride‒1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) (1/1)","","- C38 H58 Cl N5 O2 -","- C38 H58 Cl N5 O2 -","- C152 H232 Cl4 N20 O8 -","4","1","IM2480","Huang, Chao; Wang, Ruyu; Shu, Xi; Fan, Yu; Qi, Yue; Li, Shoujian; Xia, Chuanqin","Crystal structures of the 2:2 complex of 1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) and tetrabutylammonium chloride or bromide","Acta Crystallographica Section E","2017","73","9","1316","1319","10.1107/S2056989017009951","","","1.54184","CuKα","","0.0941","0.0815","","","0.2262","0.2518","","","","","","1.0504","","","","has coordinates,has Fobs","199669","2020-10-21","18:00:00",""
"2242277","10.5879","0.0002","20.3165","0.0005","18.0828","0.0003","90","","91.0672","0.0017","90","","3889.1","0.14","293.57","0.1","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium bromide‒1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) (1/1)","","- C38 H58 Br N5 O2 -","- C38 H58 Br N5 O2 -","- C152 H232 Br4 N20 O8 -","4","1","IM2480","Huang, Chao; Wang, Ruyu; Shu, Xi; Fan, Yu; Qi, Yue; Li, Shoujian; Xia, Chuanqin","Crystal structures of the 2:2 complex of 1,1'-(1,2-phenylene)bis(3-<i>m</i>-tolylurea) and tetrabutylammonium chloride or bromide","Acta Crystallographica Section E","2017","73","9","1316","1319","10.1107/S2056989017009951","","","1.54184","CuKα","","0.0726","0.0625","","","0.1701","0.1849","","","","","","1.0325","","","","has coordinates,has Fobs","199669","2020-10-21","18:00:00",""
"2242278","8.1945","0.0003","8.3733","0.0003","28.3277","0.0009","82.698","0.002","84.183","0.002","81.814","0.002","1901.42","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","penoxsulam","2-(2,2-Difluoroethoxy)-<i>N</i>-(5,8-dimethoxy-1,2,4-triazolo[1,5-<i>c</i>]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide","","- C16 H14 F5 N5 O5 S -","- C16 H14 F5 N5 O5 S -","- C64 H56 F20 N20 O20 S4 -","4","2","","Park, Hyunjin; Kim, Jineun; Chiang, Hojae; Kim, Tae Ho","Crystal structure of penoxsulam","Acta Crystallographica Section E","2017","73","9","1312","1315","10.1107/S2056989017011458","","","0.71073","MoKα","","0.0541","0.044","","","0.1014","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","199670","2020-10-21","18:00:00",""
"2242279","6.3414","0.0003","9.1268","0.0005","18.1423","0.0009","90","","95.634","0.002","90","","1044.94","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-furan-2-carbaldehyde <i>O</i>-benzoyloxime","(<i>E</i>)-(Furan-2-ylmethylidene)amino benzoate","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","GW2156","Hijji, Yousef M.; Rajan, Rajeesha; Mansour, Said; Ben Yahia, Hamdi","Crystal structure of (<i>E</i>)-furan-2-carbaldehyde <i>O</i>-benzoyloxime","Acta Crystallographica Section E","2017","73","9","1326","1328","10.1107/S2056989017011562","","","0.71069","MoKα","","0.1013","0.0368","","","0.078","0.1009","","","","","","1.05","","","","has coordinates,has Fobs","199671","2020-10-21","18:00:00",""
"2242280","9.4291","0.0012","15.062","0.0019","12.1595","0.0011","90","","128.252","0.006","90","","1356.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","HB7693","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri; Razak, Ibrahim Abdul","Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate","Acta Crystallographica Section E","2017","73","9","1305","1307","10.1107/S2056989017011252","","","0.71073","MoKα","","0.1027","0.0557","","","0.1359","0.1639","","","","","","1.024","","","","has coordinates,has Fobs","199672","2020-10-21","18:00:00",""
"2242281","8.7525","0.0016","10.691","0.002","11.22","0.002","79.953","0.008","69.969","0.005","87.796","0.007","971","0.3","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-4-[2-(<i>tert</i>-Butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Liu, Wenju; Chen, Qiliang; Yu, Linda","Crystal structure of <i>rac</i>-4-[2-(<i>tert</i>-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate","Acta Crystallographica Section E","2017","73","9","1333","1335","10.1107/S2056989017011513","","","0.71073","MoKα","","0.0533","0.0422","","","0.1059","0.1123","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","199732","2020-10-21","18:00:00",""
"2242282","6.0044","0.0003","16.4721","0.0007","17.8957","0.0009","90","","90","","90","","1769.98","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, Sergey; Sliva, Tetyana Yu.","Crystal structure and DFT study of (<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","Acta Crystallographica Section E","2017","73","9","1329","1332","10.1107/S2056989017011483","","","0.71073","MoKα","","0.0589","0.0412","","","0.0863","0.0926","","","","","","1.043","","","","has coordinates,has Fobs","199733","2020-10-21","18:00:00",""
"2242283","7.507","0.003","12.247","0.005","13.634","0.005","90","","99.278","0.005","90","","1237.1","0.8","291","2","291","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Bis(anilinium) azide","μ-Hydrido-bis(4-aminopyridinium) azide","","- C10 H13 N7 -","- C10 H13 N7 -","- C40 H52 N28 -","4","0.5","HB7695","Fábry, Jan","A long symmetric N···H···N hydrogen bond in bis(4-aminopyridinium)(1+) azide(1{-}): redetermination from the original data","Acta Crystallographica Section E","2017","73","9","1344","1347","10.1107/S2056989017011537","","","0.71073","MoKα","","0.0471","0.034","","","0.0807","0.0852","","","","","","1.48","","","","has coordinates,has Fobs","199794","2020-10-21","18:00:00",""
"2242284","25.7608","0.0018","11.0507","0.0005","12.2709","0.001","90","","90.955","0.006","90","","3492.7","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(4-Bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one‒3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one (1/7)","","- C20 H11.88 Br Cl0.12 N5 O -","- C20 H11.875 Br Cl0.125 N5 O -","- C160 H95 Br8 Cl N40 O8 -","8","1","BT6995","Wahedy, Kanan; Abu Thaher, Bassam; Schollmeyer, Dieter; Almasri, Ihab; Morjan, Rami; Qeshta, Basem; Deigner, Hans-Peter","Crystal structures of pure 3-(4-bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one and contaminated with 3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2017","73","9","1341","1343","10.1107/S2056989017011732","","","0.71073","MoKα","","0.1095","0.0507","","","0.1153","0.1419","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","199795","2020-10-21","18:00:00",""
"2242285","7.1074","0.0007","32.754","0.003","16.1505","0.0015","90","","98.914","0.003","90","","3714.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","","- C20 H11 Br Cl N5 O -","- C20 H11 Br Cl N5 O -","- C160 H88 Br8 Cl8 N40 O8 -","8","2","BT6995","Wahedy, Kanan; Abu Thaher, Bassam; Schollmeyer, Dieter; Almasri, Ihab; Morjan, Rami; Qeshta, Basem; Deigner, Hans-Peter","Crystal structures of pure 3-(4-bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one and contaminated with 3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2017","73","9","1341","1343","10.1107/S2056989017011732","","","0.71073","MoKα","","0.1483","0.0471","","","0.0702","0.0893","","","","","","0.716","","","","has coordinates,has Fobs","199795","2020-10-21","18:00:00",""
"2242287","16.148","0.013","8.631","0.009","7.674","0.01","90","","90","","90","","1070","2","297","2","297","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate","","- C9 H15 K O3 -","- C9 H15 K O3 -","- C36 H60 K4 O12 -","4","0.5","PK2603","Corfield, Peter W. R.; Kershaw, Richard A.","Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2017","73","9","1357","1362","10.1107/S2056989017011756","","","0.7107","MoKα","","0.0562","0.0341","","","0.0856","0.096","","","","","","1.004","","","","has coordinates,has disorder","199898","2020-10-21","18:00:00",""
"2242288","12.829","0.001","9.759","0.001","11.73","0.002","90","","95.74","0.01","90","","1461.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","","- C14 H17 Br O3 S -","- C14 H17 Br O3 S -","- C56 H68 Br4 O12 S4 -","4","1","","Corfield, Peter W. R.; Kershaw, Richard A.","Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2017","73","9","1357","1362","10.1107/S2056989017011756","","","1.5418","CuKα","","0.0309","0.0274","","","0.0887","0.0905","","","","","","1.08","","","","has coordinates,has Fobs","199898","2020-10-21","18:00:00",""
"2242289","5.4258","0.0002","8.9491","0.0003","11.4365","0.0003","90","","94.092","0.003","90","","553.9","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hibiscus acid dimethyl sulfoxide monosolvate","(2<i>S</i>,3<i>R</i>)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C8 H12 O8 S -","- C8 H12 O8 S -","- C16 H24 O16 S2 -","2","1","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from <i>Hibiscus sabdariffa</i> (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0569","0.0473","","","0.1079","0.1132","","","","","","1.045","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242290","9.3057","0.0006","7.6934","0.0006","13.4012","0.0011","90","","96.243","0.007","90","","953.74","0.12","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","hibiscus acid dimethyl ester","Dimethyl (2<i>S</i>,3<i>R</i>)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylate","","- C8 H10 O7 -","- C8 H10 O7 -","- C32 H40 O28 -","4","2","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from <i>Hibiscus sabdariffa</i> (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0545","0.0437","","","0.1073","0.121","","","","","","1.096","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242291","8.0872","0.0002","9.4146","0.0002","13.0721","0.0003","75.858","0.001","78.46","0.001","77.488","0.001","930.75","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-<i>N</i>,<i>N</i>-diallyldithiocarbamato)bis[(<i>N</i>,<i>N</i>-diallyldithiocarbamato)cadmium]","","- C28 H40 Cd2 N4 S8 -","- C28 H40 Cd2 N4 S8 -","- C28 H40 Cd2 N4 S8 -","1","0.5","ZL2710","Onwudiwe, Damian C.; Hrubaru, Madalina; Hosten, Eric C.; Arderne, Charmaine","Bis(μ-<i>N</i>,<i>N</i>-diallyldithiocarbamato)bis[(<i>N</i>,<i>N</i>-diallyldithiocarbamato)cadmium]","Acta Crystallographica Section E","2017","73","9","1353","1356","10.1107/S2056989017011616","","","0.71073","MoKα","","0.0168","0.015","","","0.0356","0.0371","","","","","","1.152","","","","has coordinates,has Fobs","199900","2020-10-21","18:00:00",""
"2242293","7.17","0.0003","8.9723","0.0004","19.8379","0.0007","90","","90","","90","","1276.2","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tri-μ-aqua-(μ-2-carboxylatopyrrolidine-1-carbodithioato)dipotassium]","","- C6 H13 K2 N O5 S2 -","- C6 H13 K2 N O5 S2 -","- C24 H52 K8 N4 O20 S8 -","4","1","ZL2712","Liebing, Phil","Crystal structure of dipotassium <i>N</i>-carbodithioato-<small>L</small>-prolinate trihydrate","Acta Crystallographica Section E","2017","73","9","1375","1378","10.1107/S2056989017011999","","","0.71073","MoKα","","0.0293","0.0229","","","0.0409","0.0418","","","","","","0.965","","","","has coordinates,has Fobs","199967","2020-10-21","18:00:00",""
"2242294","6.8571","0.0004","4.7724","0.0003","32.001","0.0017","90","","95.916","0.004","90","","1041.65","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-\ tetrathione","","- C24 H16 N2 S4 -","- C24 H16 N2 S4 -","- C48 H32 N4 S8 -","2","0.5","","Im, Hansu; Park, Hyunjin; Kim, Tae Ho; Woo, Chang Hwa","Crystal structure of 2,6-dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetrathione","Acta Crystallographica Section E","2017","73","9","1379","1381","10.1107/S2056989017012154","","","0.71073","MoKα","","0.044","0.0381","","","0.0862","0.0885","","","","","","1.046","","","","has coordinates,has Fobs","199968","2020-10-21","18:00:00",""
"2242295","8.2799","0.0008","8.9169","0.0009","9.7451","0.001","104.597","0.003","112.569","0.003","105.22","0.003","588.7","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(4-Hydroxybenzyl)acetone thiosemicarbazone","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C22 H30 N6 O2 S2 -","2","1","ZS2385","Argibay-Otero, Saray; Vázquez-López, Ezequiel M.","Crystal structure of <i>N</i>-(4-hydroxybenzyl)acetone thiosemicarbazone","Acta Crystallographica Section E","2017","73","9","1382","1384","10.1107/S2056989017012129","","","0.71073","MoKα","","0.0398","0.0322","","","0.0781","0.0824","","","","","","1","","","","has coordinates,has Fobs","199969","2020-10-21","18:00:00",""
"2242296","5.5322","0.0002","7.8707","0.0003","32.9092","0.0014","90","","90","","90","","1432.94","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-[2-(Cyclohexylsulfanyl)ethyl]quinolinic acid imide","6-[2-(Cyclohexylsulfanyl)ethyl]-5<i>H</i>-pyrrolo[3,4-<i>b</i>]pyridine-5,7(6<i>H</i>)-dione","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Park, Hyunjin; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of <i>N</i>-[2-(cyclohexylsulfanyl)ethyl]quinolinic acid imide","Acta Crystallographica Section E","2017","73","9","1372","1374","10.1107/S2056989017012142","","","0.71073","MoKα","","0.0392","0.0341","","","0.0697","0.072","","","","","","1.042","","","","has coordinates,has Fobs","199970","2020-10-21","18:00:00",""
"2242297","9.1532","0.0006","8.7029","0.0008","8.7336","0.0005","90","","90","","90","","695.71","0.09","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","7-Azabicyclo[2.2.1]heptane hydrochloride","7-Azabicyclo[2.2.1]heptan-7-ium chloride","","- C6 H12 Cl N -","- C6 H12 Cl N -","- C24 H48 Cl4 N4 -","4","0.5","ZL2713","Britvin, Sergey N.; Rumyantsev, Andrey M.","The 7-azanorbornane nucleus of epibatidine: 7-azabicyclo[2.2.1]heptan-7-ium chloride","Acta Crystallographica Section E","2017","73","9","1385","1388","10.1107/S2056989017012105","","","0.71073","MoKα","","0.0177","0.0174","","","0.0474","0.0476","","","","","","1.152","","","","has coordinates,has Fobs","200061","2020-10-21","18:00:00",""
"2242298","12.307","0.0004","13.2871","0.0004","13.8499","0.0003","90.907","0.002","100.748","0.002","109.938","0.003","2083.95","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(4-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","2","HG5491","Simpson, Jim; Mohamed, Shaaban K.; Marzouk, Adel A.; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2017","73","9","1398","1401","10.1107/S2056989017011057","","","1.54184","CuKα","","0.0819","0.0724","","","0.2041","0.2157","","","","","","1.09","","","","has coordinates,has Fobs","200062","2020-10-21","18:00:00",""
"2242299","7.6904","0.0004","13.0429","0.0007","9.022","0.0004","90","","90.081","0.002","90","","904.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Amino-3-(thiophen-3-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C7 H8 N4 S2 -","- C7 H8 N4 S2 -","- C28 H32 N16 S8 -","4","1","ZP2023","Vu Quoc, Trung; Nguyen Ngoc, Linh; Do Truc, Vy; Duong Khanh, Linh; Ha Manh, Hung; Thang Pham, Chien; Van Meervelt, Luc","Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2017","73","9","1389","1392","10.1107/S2056989017012191","","","0.71073","MoKα","","0.0313","0.0274","","","0.0693","0.0713","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","200063","2020-10-21","18:00:00",""
"2242300","10.8863","0.001","7.6256","0.0007","16.53","0.0015","90","","106.31","0.004","90","","1317","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(7-Bromomethyl-1,8-naphthyridin-2-yl)acetamide dioxane hemisolvate","","- C13 H14 Br N3 O2 -","- C13 H14 Br N3 O2 -","- C52 H56 Br4 N12 O8 -","4","1","","Rosin, Robert; Seichter, Wilhelm; Mazik, Monika","Crystal structures of the dioxane hemisolvates of <i>N</i>-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]","Acta Crystallographica Section E","2017","73","10","1409","1413","10.1107/S2056989017012208","","","0.71073","MoKα","","0.0682","0.0512","","","0.1337","0.1436","","","","","","1.031","","","","has coordinates,has Fobs","200203","2020-10-21","18:00:00",""
"2242301","9.4065","0.0005","9.5271","0.0005","16.6464","0.001","88.777","0.003","81.057","0.002","64.928","0.002","1333.15","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate","","- C24 H22 Br4 N6 O3 -","- C24 H22 Br4 N6 O3 -","- C48 H44 Br8 N12 O6 -","2","1","","Rosin, Robert; Seichter, Wilhelm; Mazik, Monika","Crystal structures of the dioxane hemisolvates of <i>N</i>-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]","Acta Crystallographica Section E","2017","73","10","1409","1413","10.1107/S2056989017012208","","","0.71073","MoKα","","0.032","0.0294","","","0.0728","0.074","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","200203","2020-10-21","18:00:00",""
"2242302","5.2243","0.0003","6.7414","0.0004","11.2772","0.0006","90","","94.82","0.002","90","","395.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl sulfoxide","","- C2 H6 O S -","- C2 H6 O S -","- C8 H24 O4 S4 -","4","1","WM5409","Reuter, Hans","Structural parameters of dimethyl sulfoxide, DMSO, at 100K, based on a redetermination by use of high-quality single-crystal X-ray data","Acta Crystallographica Section E","2017","73","10","1405","1408","10.1107/S2056989017012464","","","0.71073","MoKα","","0.0322","0.0242","","","0.0577","0.0615","","","","","","1.126","","","","has coordinates,has Fobs","200204","2020-10-21","18:00:00",""
"2242303","12.872","0.006","10.139","0.005","13.46","0.006","90","","103.104","0.009","90","","1710.9","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1<i>S</i>,2<i>S</i>,5<i>R</i>)-5-(acetylamino)-4-oxo-2,3-diphenyl-1,3-\ thiazinan-1-ium-1-olate","(1<i>S</i>,2<i>S</i>,5<i>R</i>)-5-Acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","2","ZS2387","Yennawar, Hemant P.; Noble, Duncan J.; Silverberg, Lee J.","Crystal structure of (1<i>S</i>,2<i>S</i>,5<i>R</i>)-5-acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","Acta Crystallographica Section E","2017","73","10","1417","1420","10.1107/S2056989017012488","","","0.71073","MoKα","","0.0562","0.0489","","","0.1204","0.1276","","","","","","1.024","","","","has coordinates,has Fobs","200205","2020-10-21","18:00:00",""
"2242304","10.257","0.0018","7.6151","0.0013","11.503","0.002","90","","101.11","0.003","90","","881.6","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-hydroxyroyleanone","(4b<i>S</i>,8a<i>S</i>,10<i>S</i>)-3,10-Dihydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Xu, Shicheng; Ma, Xinhua; Ke, Ruifang; Deng, Shihao; Yang, Xinzhou; Song, Ping","Crystal structure of 7β-hydroxyroyleanone isolated from <i>Taxodium ascendens</i> (B.)","Acta Crystallographica Section E","2017","73","10","1414","1416","10.1107/S2056989017011987","","","0.71073","MoKα","","0.0322","0.0303","","","0.0812","0.083","","","","","","1.029","","","","has coordinates,has Fobs","200206","2020-10-21","18:00:00",""
"2300629","6.1352","0.0004","6.1352","0.0004","18.1726","0.0012","90","","90","","90","","684.03","0.08","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C2 H10 N2 O4 Se -","- C2 H10 N2 O4 Se -","- C8 H40 N8 O16 Se4 -","4","0.5","TO5159","Martin, Alexander T.; Nichols, Shane M.; Li, Sichao; Tan, Melissa; Kahr, Bart","Double cone of eigendirections in optically active ethylenediammonium selenate crystals","Journal of Applied Crystallography","2017","50","4","1117","1124","10.1107/S1600576717007865","","","0.71073","MoKα","","0.0243","0.0208","","","0.0549","0.0557","","","","","","1.202","","","","has coordinates,has Fobs","199600","2020-10-21","18:00:00",""
"2300660","9.5277","0.0008","11.1555","0.0011","11.7848","0.001","90","","90","","90","","1252.56","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","EI5022","Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Rao, Devarapalli Chenna; Gopalaiah, Kovuru; Kumar, Binay","An insight into the synthesis, crystal structure, geometrical modelling of crystal morphology, Hirshfeld surface analysis and characterization ofN-(4-methylbenzyl)benzamide single crystals","Journal of Applied Crystallography","2017","50","5","1498","","10.1107/S1600576717012316","","","0.71073","MoKα","","0.1902","0.0633","","","0.0763","0.1079","","","","","","0.972","","","","has coordinates","246053","2020-10-21","18:00:00",""
"2311087","5.928","","12.26","","5.794","","90","","90","","90","","421.092","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.711","MoKα","","0.0312","0.0288","","","0.0874","0.0897","","","","","","0.742","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311088","7.8248","0.0002","5.9349","0.0001","8.0997","0.0002","90","","114.441","0.002","90","","342.438","0.015","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.71073","MoKα","","0.0517","0.0318","","","0.0844","0.0852","","","","","","0.25","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2311089","8.262","","8.9","","8.923","","90","","90","","90","","656.124","","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.71073","MoKα","","0.0387","0.0325","","","0.0703","0.0712","","","","","","1.642","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311090","7.808","0.006","5.943","0.002","8.097","0.005","90","","114.4","0.05","90","","342.2","0.4","80","2","80","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.8397","","","0.0461","0.0416","","","0.1155","0.1227","","","","","","1.056","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311091","48.275","0.01","8.932","0.0018","24.604","0.005","90","","119.72","0.03","90","","9214","4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C73 H120 N16 O19.5 -","- C73 H120 N16 O19.5 -","- C292 H480 N64 O78 -","4","1","","Gessmann, Renate; Axford, Danny; Brückner, Hans; Berg, Albrecht; Petratos, Kyriacos","A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution","Acta Crystallographica Section F","2017","73","2","95","100","10.1107/S2053230X17001236","","","0.7293","","","0.1026","0.0673","","","0.1521","0.1721","","","","","","0.954","","","","has coordinates,has Fobs","193939","2020-10-21","18:00:00",""
"2311276","9.6475","0.0007","10.7392","0.0008","25.629","0.002","90","","68.684","0.003","90","","2473.7","0.3","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Cl N O2 P2 Re -","- C21 H35 Cl N O2 P2 Re -","- C84 H140 Cl4 N4 O8 P8 Re4 -","4","1","","Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","941","949","10.1107/S205252061701006X","","x-ray","0.71075","MoKα","","0.105","0.0476","","","0.0477","0.0526","","","","2.03","2.03","1.71","","","","has coordinates","245749","2020-10-21","18:00:00",""
"2311277","18.6854","0.0013","10.7708","0.0008","25.599","0.003","90","","107.48","0.004","90","","4914.1","0.8","200","","200","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C21 H35 Cl N O2 P2 Re -","- C21 H35 Cl N O2 P2 Re -","- C168 H280 Cl8 N8 O16 P16 Re8 -","8","1","","Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","941","949","10.1107/S205252061701006X","","x-ray","0.71075","MoKα","","0.105","0.0476","","","0.0477","0.0526","","","","2.03","2.03","1.71","","","","has coordinates","245749","2020-10-21","18:00:00",""
"2311347","8.0245","0.0004","13.2482","0.0009","30.454","0.0019","90","","90","","90","","3237.6","0.3","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]pyridine-4-carbohydrazide-κ<i>N</i>^1^}diiodidocadmium methanol disolvate","","- C28 H30 Cd I2 N6 O6 -","- C28 H30 Cd I2 N6 O6 -","- C112 H120 Cd4 I8 N24 O24 -","4","0.5","SJ5516","Afkhami, Farhad Akbari; Krautscheid, Harald; Atioğlu, Zeliha; Akkurt, Mehmet","Crystal structure of bis-{<i>N</i>'-[(<i>E</i>)-4-hy-droxy-benzyl-idene]pyridine-4-carbohydrazide-κ<i>N</i><sup>1</sup>}di-iodidocadmium methanol disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","28","30","10.1107/S2056989016019575","","","0.71073","MoKα","","0.0481","0.0398","","","0.0925","0.0939","","","","","","0.881","","","","has coordinates","245814","2020-10-21","18:00:00",""
"2311348","5.97796","0.00017","15.096","0.0004","5.32067","0.00019","90","","93.9341","0.0013","90","","479.02","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","dirubidium hydrogen citrate","Dirubidium hydrogen citrate","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","VN2120","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","1.82","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311349","5.978","","15.0961","","5.3207","","90","","93.9354","","90","","479.032","","300","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","","","","","","","","","","","","","","","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311350","19.509","0.002","8.2306","0.0013","11.1","0.002","90","","90","","90","","1782.3","0.5","303","2","303","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[bis(μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>)tris(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)bis(<i>N</i>-methylethane-1,2-diamine\- κ^2^<i>N</i>,<i>N</i>')tricopper(I)copper(II)]","","- C11 H20 Cu4 N9 -","- C11 H20 Cu4 N9 -","- C44 H80 Cu16 N36 -","4","1","PK2594","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with <i>N</i>-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0189","0.018","","","0.0445","0.0447","","","","","","1.046","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311351","7.5621","0.0002","8.8689","0.0002","12.8098","0.0003","94.6851","0.0014","101.861","0.0012","108.378","0.0013","787.91","0.03","300","1","300","1","","","","","","","","5","P -1","-P 1","2","bis(N-methylethylenediamine)copper(II)-μ-cyano-copper(I)dicyanide","[(<i>N</i>-Methylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>-[bis(cyanido-κ<i>C</i>)copper(I)] monohydrate","","- C9 H22 Cu2 N7 O -","- C9 H22 Cu2 N7 O -","- C18 H44 Cu4 N14 O2 -","2","1","","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with <i>N</i>-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0224","0.0205","","","0.0517","0.0529","","","","","","1.073","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311352","8.7362","0.0002","20.5351","0.00016","5.1682","0.0005","90","","90","","90","","927.17","0.09","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","cesium dihydrogen citrate","cesium dihydrogen citrate","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","VN2124","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","3.43","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311353","8.7362","","20.5351","","5.1682","","90","","90","","90","","927.169","","300","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311354","14.3221","0.0006","14.3742","0.0006","17.4049","0.0007","66.915","0.002","81.233","0.002","78.528","0.002","3219.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis(benzoato-κ<i>O</i>)octabutyldi-μ~3~-oxido-tetratin(IV)","","- C60 H92 O10 Sn4 -","- C60 H92 O10 Sn4 -","- C120 H184 O20 Sn8 -","2","1","ZL2692","Reuter, Hans; Okio, Coco K. Y. A.","Bis(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(benzoato-κ<i>O</i>)octabutyldi-μ<sub>3</sub>-oxido-tetra-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","322","326","10.1107/S2056989017001505","","","0.71073","MoKα","","0.0239","0.019","","","0.0407","0.0429","","","","","","1.039","","","","has coordinates,has disorder","245818","2020-10-21","18:00:00",""
"2311355","10.0052","0.0006","10.2173","0.0005","10.6694","0.0005","87.515","0.004","68.625","0.005","73.988","0.005","974.27","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(μ-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine-5,7-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^7^)[μ-di(pyridin-4-yl)sulfane-κ^2^<i>N</i>:<i>N</i>']zinc] 0.26-hydrate]","","- C18 H14.524 N2 O7.262 S2 Zn -","- C18 H14 N2 O7.262 S2 Zn -","- C36 H28 N4 O14.524 S4 Zn2 -","2","1","WM5363","Wu, Wen-Liang; Hu, Bing","Crystal structure of poly[[aqua-(μ-2,3-di-hydro-thieno[3,4-<i>b</i>][1,4]dioxine-5,7-di-carboxyl-ato-κ<sup>2</sup><i>O</i><sup>5</sup>:<i>O</i><sup>7</sup>)[μ-di(pyridin-4-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']zinc] 0.26-hydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","375","377","10.1107/S2056989017002031","","","0.71073","MoKα","","0.0342","0.0298","","","0.0672","0.0694","","","","","","1.011","","","","has coordinates,has disorder","245819","2020-10-21","18:00:00",""
"2311356","14.7579","0.0005","6.793","0.0003","17.2873","0.0005","90","","91.287","0.003","90","","1732.62","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^6^-Benzoyladenine‒4-hydroxybenzoic acid (1/1)","","- C19 H15 N5 O4 -","- C19 H15 N5 O4 -","- C76 H60 N20 O16 -","4","1","HG5481","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supra-molecular hydrogen-bonding patterns in a 1:1 co-crystal of the N(7)-H tautomeric form of <i>N</i><sup>6</sup>-benzoyl-adenine with 4-hy-droxy-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","383","386","10.1107/S2056989017002171","","","1.54184","CuKα","","0.0695","0.0529","","","0.1428","0.1611","","","","","","1.021","","","","has coordinates","245820","2020-10-21","18:00:00",""
"2311357","11.5799","0.0007","7.391","0.0003","21.9848","0.0016","90","","103.033","0.007","90","","1833.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II):","","- C38 H42 N4 Ni S4 -","- C38 H42 N4 Ni S4 -","- C76 H84 N8 Ni2 S8 -","2","0.5","HB7658","Yusof, Enis Nadia Md; Ravoof, Thahira B. S. A.; Tahir, Mohamed I. M.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ<sup>2</sup><i>N</i><sup>2</sup>,<i>S</i>}nickel(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","397","402","10.1107/S2056989017002419","","","0.7107","MoKα","","0.049","0.0349","","","0.0779","0.0847","","","","","","1.016","","","","has coordinates","245821","2020-10-21","18:00:00",""
"2311358","7.827","0.0016","15.407","0.003","18.086","0.004","90","","100.86","0.03","90","","2141.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III)] dichromate octahydrate","","- C24 H64 Cr4 N8 O23 -","- C24 H64 Cr4 N8 O23 -","- C48 H128 Cr8 N16 O46 -","2","0.5","SJ5521","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of bis-[(oxalato-κ<sup>2</sup><i>O</i><sup>1</sup>,<i>O</i><sup>2</sup>)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ<sup>4</sup><i>N</i>)chromium(III)] dichromate octa-hydrate from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","403","406","10.1107/S2056989017002614","","","0.61","synchrotron","","0.0561","0.0478","","","0.1394","0.1448","","","","","","1.041","","","","has coordinates,has disorder","245822","2020-10-21","18:00:00",""
"2311359","6.7693","0.0004","13.8357","0.0007","7.6661","0.0004","90","","104.709","0.002","90","","694.46","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethylbis[2,4-pentanedionato(1-)-κ^2^<i>O</i>^2^,<i>O</i>^4^]tin(IV)","","- C12 H20 O4 Sn -","- C12 H20 O4 Sn -","- C24 H40 O8 Sn2 -","2","0.5","","Reuter, Hans; Reichelt, Martin","Redetermination of the crystal structure of di-methyl-bis-[2,4-penta-nedionato(1-)-κ<sup>2</sup><i>O</i><sup>2</sup>,<i>O</i><sup>4</sup>]tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","472","475","10.1107/S2056989017003206","","","0.71073","MoKα","","0.0162","0.0129","","","0.032","0.0336","","","","","","1.11","","","","has coordinates","245823","2020-10-21","18:00:00",""
"2311360","19.8257","0.0018","3.9754","0.0004","9.5881","0.0009","90","","101.645","0.005","90","","740.13","0.12","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Thallium penta(indium/chromium) octaselenide","","- Cr0.189 In4.811 Se8 Tl -","- Cr0.189 In4.811 Se8 Tl1.0002 -","- Cr0.378 In9.622 Se16 Tl2.0004 -","2","0.25","WM5368","Lefèvre, Robin; Berthebaud, David; Gascoin, Franck","Substitution of indium for chromium in TlIn<sub>5-<i>x</i></sub> Cr <sub> <i>x</i> </sub> Se<sub>8</sub>: crystal structure of TlIn<sub>4.811(5)</sub>Cr<sub>0.189(5)</sub>Se<sub>8</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","500","502","10.1107/S2056989017003292","","","0.71073","MoKα","","0.0463","0.0302","","","0.0297","0.0308","","","","","","1.34","","","","has coordinates","245824","2020-10-21","18:00:00",""
"2311361","10.9569","0.0006","11.0012","0.0006","11.9738","0.0007","69.073","0.006","75.593","0.007","61.409","0.006","1178.37","0.14","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Bromido-<i>fac</i>-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]rhenium(I) methanol monosolvate","","- C20 H20 Br N4 O7 Re -","- C20 H20 Br N4 O7 Re -","- C40 H40 Br2 N8 O14 Re2 -","2","1","WM5372","Kharlova, Marharyta I.; Piletska, Kseniia O.; Domasevitch, Kostiantyn V.; Shtemenko, Alexander V.","Crystal structure of bromido-<i>fac</i>-tricarbon-yl[5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ<sup>2</sup><i>N</i><sup>2</sup>,<i>N</i><sup>3</sup>]rhenium(I) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","484","487","10.1107/S2056989017003371","","","0.71073","MoKα","","0.0271","0.0189","","","0.0333","0.0339","","","","","","0.836","","","","has coordinates","245825","2020-10-21","18:00:00",""
"2311362","7.4441","0.0015","14.625","0.003","14.074","0.003","90","","99.693","0.003","90","","1510.4","0.5","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(μ-2-methylbenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[methyl(2-methylbenzenethiolato-κ<i>S</i>)indium(III)]","","- C30 H34 In2 S4 -","- C30 H34 In2 S4 -","- C60 H68 In4 S8 -","2","1","LH5837","Briand, Glen G.; Decken, Andreas; Dickie, Courtney M.; MacNeil, Gregory","Synthesis and crystal structure of bis-(μ-2-methyl-benzene-thiol-ato-κ<sup>2</sup><i>S</i>:<i>S</i>)bis-[meth-yl(2-methyl-benzene-thiol-ato-κ<i>S</i>)indium(III)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","481","483","10.1107/S2056989017003498","","","0.71073","MoKα","","0.0504","0.0344","","","0.0673","0.0739","","","","","","1.041","","","","has coordinates","245826","2020-10-21","18:00:00",""
"2311363","9.5842","0.0015","11.0788","0.0016","12.989","0.002","90","","100.014","0.004","90","","1358.2","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmethyl)dithiocarbamato-\ κ^3^<i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)] 3-methylpyridine monosolvate]","","- C24 H29 Cd N5 S4 -","- C24 H29 Cd N5 S4 -","- C48 H58 Cd2 N10 S8 -","2","1","HB7664","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","A two-dimensional coordination polymer: poly[[bis-[μ<sub>2</sub>-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ<sup>3</sup><i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)] 3-methyl-pyridine monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","488","492","10.1107/S2056989017003516","","","0.71069","MoKα","","0.0374","0.0371","","","0.0905","0.0907","","","","","","1.075","","","","has coordinates","245827","2020-10-21","18:00:00",""
"2311364","9.18","0.0002","12.146","0.0002","14.9005","0.0003","88.49","0.002","89.166","0.002","83.278","0.002","1649.31","0.06","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(1,3-thiazole-2-thiolato-κ^2^<i>S</i>^2^,<i>N</i>)nickel(II) hexafluoridophosphate 1,4-dioxane sesquisolvate","","- C33 H30 F6 N5 Ni O3 P S2 -","- C33 H30 F6 N5 Ni O3 P S2 -","- C66 H60 F12 N10 Ni2 O6 P2 S4 -","2","1","WM5374","Kai, Keisuke; Hamaguchi, Tomohiko; Ando, Isao","Crystal structure of bis-(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')(1,3-thia-zole-2-thiol-ato-κ<sup>2</sup><i>S</i><sup>2</sup>,<i>N</i>)nickel(II) hexa-fluorido-phosphate 1,4-dioxane sesquisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","590","593","10.1107/S205698901700456X","","","0.71073","MoKα","","0.0519","0.0412","","","0.0889","0.0941","","","","","","1.023","","","","has coordinates","245828","2020-10-21","18:00:00",""
"2311365","5.2156","0.0005","14.0812","0.0014","9.0595","0.0009","90","","99.366","0.002","90","","656.48","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(pyrimidin-1-ium-4,6-diolato-κ<i>O</i>^4^)manganese(II)","","- C8 H14 Mn N4 O8 -","- C8 H14 Mn N4 O8 -","- C16 H28 Mn2 N8 O16 -","2","0.5","WM5373","Shennara, Khaled A.; Butcher, Ray J.; Greenaway, Frederick T.","Crystal structure of tetra-aqua-bis-(pyrimidin-1-ium-4,6-diolato-κ<i>O</i><sup>4</sup>)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","620","622","10.1107/S2056989017004649","","","0.71073","MoKα","","0.028","0.0266","","","0.0701","0.0712","","","","","","1.103","","","","has coordinates","245829","2020-10-21","18:00:00",""
"2311366","12.1618","0.0005","19.8355","0.0008","10.0403","0.0006","90","","91.417","0.006","90","","2421.3","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κ<i>C</i>^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κ<i>C</i>-[1(η^5^)-pentamethylcyclopentadienyl]-aluminiumtitanium(III)","","- C28 H42 Al Ti -","- C28 H42 Al Ti -","- C112 H168 Al4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two <i>μ<sub>2</sub></i> -CH<sub>3</sub> units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.055","0.0311","","","0.063","0.0677","","","","","","0.867","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311367","12.1445","0.0008","19.9196","0.0007","10.035","0.0004","90","","91.4","0.007","90","","2426.9","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κ<i>C</i>^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κ<i>C</i>-[1(η^5^)-pentamethylcyclopentadienyl]-galliumtitanium(III)","","- C28 H42 Ga Ti -","- C28 H42 Ga Ti -","- C112 H168 Ga4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two <i>μ<sub>2</sub></i> -CH<sub>3</sub> units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.034","0.0262","","","0.0636","0.0653","","","","","","0.937","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311368","7.5482","0.0004","15.7571","0.0008","14.6407","0.0006","90","","95.132","0.004","90","","1734.35","0.15","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium methanol monosolvate","","- C13 H14 Br2 Cd N4 O2 -","- C13 H14 Br2 Cd N4 O2 -","- C52 H56 Br8 Cd4 N16 O8 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium methanol monosolvate and di-iodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","1.5418","CuKα","","0.0486","0.0335","","","0.071","0.0779","","","","","","1.023","","","","has coordinates","245831","2020-10-21","18:00:00",""
"2311369","7.5264","0.0007","13.1325","0.0012","16.5718","0.0015","90","","94.384","0.001","90","","1633.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diiodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium","","- C12 H10 Cd I2 N4 O -","- C12 H10 Cd I2 N4 O -","- C48 H40 Cd4 I8 N16 O4 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium methanol monosolvate and di-iodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","0.71073","MoKα","","0.0321","0.0229","","","0.0541","0.0578","","","","","","1.06","","","","has coordinates,has disorder","245831","2020-10-21","18:00:00",""
"2311370","10.6489","0.0002","31.7578","0.0004","10.7212","0.0002","90","","108.607","0.002","90","","3436.24","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~3~-Chlorido-μ~2~-chlorido-(μ~3~-pyrrolidine-1-carbodithioato-κ^4^<i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')tris[(triethylphosphane-κ<i>P</i>)copper(I)]","","- C23 H53 Cl2 Cu3 N P3 S2 -","- C23 H53 Cl2 Cu3 N P3 S2 -","- C92 H212 Cl8 Cu12 N4 P12 S8 -","4","1","HB7670","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","μ<sub>3</sub>-Chlorido-μ<sub>2</sub>-chlorido-(μ<sub>3</sub>-pyrrolidine-1-carbo-dithio-ato-κ<sup>4</sup><i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')tris-[(tri-ethyl-phosphane-κ<i>P</i>)copper(I)]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","720","725","10.1107/S2056989017005382","","","1.54184","CuKα","","0.0307","0.0283","","","0.0716","0.073","","","","","","1.041","","","","has coordinates","245832","2020-10-21","18:00:00",""
"2311371","29.5261","0.0005","10.1413","0.0002","8.0906","0.0002","90","","91.894","0.004","90","","2421.27","0.09","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(2,4,6-trimethylbenzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","","- C20 H32 Co O9 -","- C20 H32 Co O9 -","- C80 H128 Co4 O36 -","4","0.5","PJ2043","Hökelek, Tuncer; Akduran, Nurcan; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure of <i>catena</i>-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ<sup>2</sup><i>O</i>:<i>O</i>] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","708","712","10.1107/S2056989017005564","","","0.71073","MoKα","","0.0728","0.0604","","","0.1513","0.1662","","","","","","1.088","","","","has coordinates","245833","2020-10-21","18:00:00",""
"2311372","7.842","0.002","9.937","0.002","8.686","0.002","90","","108.45","0.03","90","","642.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver aluminium hydrogen arsenate","Silver(I) aluminium bis[hydrogen arsenate(V)]","","- Ag Al As2 H2 O8 -","- Ag Al As2 H2 O8 -","- Ag4 Al4 As8 H8 O32 -","4","0.5","PK2600","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0149","0.0139","","","0.037","0.0374","","","","","","1.095","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311373","7.826","0.002","10.216","0.002","8.694","0.002","90","","107.77","0.03","90","","661.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver gallium hydrogen arsenate","Silver(I) gallium bis[hydrogen arsenate(V)]","","- Ag As2 Ga H2 O8 -","- Ag0.996 As2 Ga H2 O8 -","- Ag3.984 As8 Ga4 H8 O32 -","4","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.016","0.0147","","","0.0362","0.0366","","","","","","1.146","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311374","7.049","0.001","8.368","0.002","9.735","0.002","90","","108.47","0.03","90","","544.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","silver gallium diarsenate","Silver(I) gallium diarsenate(V)","","- Ag As2 Ga O7 -","- Ag As2 Ga O7 -","- Ag4 As8 Ga4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0378","0.0326","","","0.0858","0.0891","","","","","","1.048","","","","has coordinates,has disorder","245834","2020-10-21","18:00:00",""
"2311375","6.987","0.001","8.266","0.002","9.677","0.002","90","","107.5","0.03","90","","533","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium gallium diarsenate","Sodium gallium diarsenate(V)","","- As2 Ga Na O7 -","- As2 Ga Na O7 -","- As8 Ga4 Na4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0406","0.0325","","","0.0854","0.09","","","","","","1.037","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311376","9.8767","0.0005","11.4597","0.0005","14.3166","0.0007","90","","104.458","0.0007","90","","1569.1","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua-<i>trans</i>-bis(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","","- C11 H17 N Ni O7 S2 -","- C11 H17 N Ni O7 S2 -","- C44 H68 N4 Ni4 O28 S8 -","4","0.5","WM5380","Liu, Chen; Felts, Ashley C.; Takahashi, Daisuke; Kinden, Wesley S.; Abboud, Khalil A.","Crystal structure of aqua-<i>trans</i>-bis-(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-di-carboxyl-ato-κ<sup>3</sup><i>O</i><sup>2</sup>,<i>N</i>,<i>O</i><sup>6</sup>)nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","777","779","10.1107/S2056989017006090","","","0.71073","MoKα","","0.0162","0.0159","","","0.0429","0.0432","","","","","","1.055","","","","has coordinates","245835","2020-10-21","18:00:00",""
"2311377","10.1472","0.0001","13.6653","0.0001","13.8122","0.0001","90","","104.959","0.001","90","","1850.36","0.03","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethylbis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')tin(IV)","","- C12 H22 N2 O2 S4 Sn -","- C12 H22 N2 O2 S4 Sn -","- C48 H88 N8 O8 S16 Sn4 -","4","1","HB7675","Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Secondary bonding in di-methyl-bis-(morpholine-4-carbodi-thio-ato-κ<sup>2</sup><i>S</i>,<i>S</i>')tin(IV): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","842","848","10.1107/S2056989017006855","","","1.54184","CuKα","","0.0245","0.024","","","0.0642","0.0645","","","","","","1.072","","","","has coordinates","245836","2020-10-21","18:00:00",""
"2311378","12.5864","0.0003","11.6273","0.0003","19.1271","0.0005","90","","90.529","0.001","90","","2799.05","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II) dimethylformamide monosolvate","","- C27 H35 N7 Ni O S2 -","- C27 H35 N7 Ni O S2 -","- C108 H140 N28 Ni4 O4 S8 -","4","1","WM5389","de Oliveira, Adriano Bof; Beck, Johannes; Mellone, Sônia Elizabeth Brown S; Daniels, Jörg","A new example of intra-molecular C-H⋯Ni anagostic inter-actions: synthesis, crystal structure and Hirshfeld analysis of <i>cis</i>-bis-[4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amidato-κ<sup>2</sup><i>N</i><sup>1</sup>,<i>S</i>]nickel(II) di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","859","863","10.1107/S2056989017007198","","","0.71073","MoKα","","0.0551","0.0335","","","0.0737","0.0809","","","","","","1.028","","","","has coordinates","245837","2020-10-21","18:00:00",""
"2311379","10.0709","0.0017","20.322","0.006","13.886","0.004","90","","102.776","0.018","90","","2771.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-<i>N</i>^1^-(5-phenyl-1<i>H</i>-pyrazol-3-yl)benzene-1,2-diamine","","- C15 H13 Cl N4 -","- C15 H13 Cl N4 -","- C120 H104 Cl8 N32 -","8","2","","Yartsev, Yegor; Palchikov, Vitaliy; Gaponov, Alexandr; Shishkina, Svitlana","Crystal structure of 5-chloro-<i>N</i><sup>1</sup>-(5-phenyl-1<i>H</i>-pyrazol-3-yl)benzene-1,2-di-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","876","879","10.1107/S2056989017007381","","","0.71073","MoKα","","0.0635","0.0369","","","0.0947","0.1023","","","","","","0.937","","","","has coordinates","245838","2020-10-21","18:00:00",""
"2311380","7.1078","0.0011","24.544","0.004","6.0449","0.0009","90","","101.898","0.002","90","","1031.9","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(2-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0549","0.0402","","","0.1087","0.1192","","","","","","1.033","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311381","5.2626","0.0005","15.6157","0.0014","12.4824","0.0011","90","","98.76","0.002","90","","1013.83","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(3-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0743","0.0436","","","0.1119","0.132","","","","","","1.034","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311382","6.9595","0.0006","21.0272","0.0017","8.3297","0.0007","90","","103.602","0.002","90","","1184.77","0.17","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(3,4-dimethoxyphenyl)prop-2-en-1-one]","","- C28 H26 O6 -","- C28 H26 O6 -","- C56 H52 O12 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0699","0.0487","","","0.1215","0.1358","","","","","","1.043","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311383","11.4866","0.0003","9.4448","0.0002","16.8257","0.0005","90","","109.227","0.003","90","","1723.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-Benzamido-2-benzoyloxy-4-phenylbutyl]-<i>N</i>-<i>tert</i>-butyldecahydroisoquinoline-3-carboxamide","","- C38 H47 N3 O4 -","- C38 H47 N3 O4 -","- C76 H94 N6 O8 -","2","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-<i>X</i><sub>2</sub>-benzamido)-2-(2,5-<i>X</i><sub>2</sub>-benzo-yloxy)-4-phenyl-butyl]-<i>N</i>-<i>tert</i>-butyldeca-hydro-iso-quinoline-3-carboxamides (<i>X</i> = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.0671","0.0558","","","0.1414","0.1506","","","","","","1.068","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311384","10.4539","0.0001","15.1917","0.0001","24.3677","0.0002","90","","90","","90","","3869.9","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-Dichlorobenzamido)-2-(2,5-dichlorobenzoyloxy)-4-phenylbutyl]-<i>N</i>-<i>tert</i>-butyldecahydroisoquinoline-3-carboxamide","","- C38 H43 Cl4 N3 O4 -","- C38 H43 Cl4 N3 O4 -","- C152 H172 Cl16 N12 O16 -","4","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-<i>X</i><sub>2</sub>-benzamido)-2-(2,5-<i>X</i><sub>2</sub>-benzo-yloxy)-4-phenyl-butyl]-<i>N</i>-<i>tert</i>-butyldeca-hydro-iso-quinoline-3-carboxamides (<i>X</i> = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.038","0.0375","","","0.0994","0.0998","","","","","","1.051","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311385","15.6367","0.0015","17.897","0.0017","22.532","0.002","90","","104.502","0.002","90","","6104.7","1","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexakis[μ~3~-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-<i>octahedro</i>-hexapalladium(II) benzene 2.5-solvate","","- C39 H15 F36 Pd6 S12 -","- C39 H15 F36 Pd6 S12 -","- C156 H60 F144 Pd24 S48 -","4","1","ZL2703","Moscattini, Joshua; Lough, Alan J.; Fekl, Ulrich","<i>C</i><sub>2</sub>-isomer of [Pd(tfd)]<sub>6</sub> [tfd is S<sub>2</sub>C<sub>2</sub>(CF<sub>3</sub>)<sub>2</sub>] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodi-thio-lenes in the form of hexa-meric cubes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","957","962","10.1107/S2056989017007897","","","0.71073","MoKα","","0.062","0.0399","","","0.0777","0.0908","","","","","","1.107","","","","has coordinates,has disorder","245841","2020-10-21","18:00:00",""
"2311386","11.837","0.004","23.126","0.007","17.836","0.005","90","","94.165","0.01","90","","4870","3","120","2","120.03","","","","","","","","","8","P 1 21 1","P 2yb","4","","{(<i>R</i>)-<i>N</i>^2^-[(Benzo[<i>h</i>]quinolin-2-yl)methyl]-<i>N</i>^2'^-[(benzo[<i>h</i>]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethanesulfonato-κ<i>O</i>)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate","","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C206 H140 Cl12 F24 N16 O24 S8 Zn4 -","4","2","IM2476","Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of {(<i>R</i>)-<i>N</i><sup>2</sup>-[(benzo[<i>h</i>]quinolin-2-yl)meth-yl]-<i>N</i><sup>2'</sup>-[(benzo[<i>h</i>]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethane-sulfonato-κ<i>O</i>)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","949","953","10.1107/S2056989017008027","","","0.71073","MoKα","","0.0488","0.0387","","","0.0862","0.0917","","","","","","1.026","","","","has coordinates,has disorder","245842","2020-10-21","18:00:00",""
"2311387","38.3604","0.0009","13.6382","0.0003","26.3548","0.0006","90","","91.069","0.002","90","","13785.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-diphenylprop-2-en-1-ylidene]amino}-<i>N</i>-ethylcarbamimidothioato-κ^2^<i>N</i>',<i>S</i>)zinc(II)","","- C36 H36 N6 S2 Zn -","- C36 H36 N6 S2 Zn -","- C576 H576 N96 S32 Zn16 -","16","2","HB7684","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-<i>N</i>-ethyl-carbamimido-thio-ato-κ<sup>2</sup><i>N</i>',<i>S</i>)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1001","1008","10.1107/S2056989017008064","","","0.71073","MoKα","","0.0515","0.0369","","","0.0758","0.0838","","","","","","1.039","","","","has coordinates","245843","2020-10-21","18:00:00",""
"2311388","9.224","0.004","12.083","0.006","13.673","0.007","69.206","0.014","80.361","0.017","69.054","0.014","1329.1","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquabis(dimethylformamide-κ<i>O</i>)magnesium(II)]-μ~3~-(2,2'-bipyridine-5,5'-dicarboxylato-κ^5^<i>O</i>^2^:<i>O</i>^2'^:<i>N</i>,<i>N</i>':<i>O</i>^5^)-[dichloridoplatinum(II)]] dimethylformamide monosolvate]","","- C21 H29 Cl2 Mg N5 O8 Pt -","- C21 H29 Cl2 Mg N5 O8 Pt -","- C42 H58 Cl4 Mg2 N10 O16 Pt2 -","2","1","VN2129","Lundvall, Fredrik; Tilset, Mats","Crystal structure of <i>catena</i>-poly[[[aqua-bis-(di-methyl-formamide-κ<i>O</i>)magnesium(II)]-μ<sub>3</sub>-(2,2'-bi-pyridine-5,5'-di-carboxyl-ato-κ<sup>5</sup><i>O</i><sup>2</sup>:<i>O</i><sup>2'</sup>:<i>N</i>,<i>N</i>':<i>O</i><sup>5</sup>)-[di-chlorido-platinum(II)]] di-methyl-formamide monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","971","974","10.1107/S2056989017008118","","","0.71073","MoKα","","0.0295","0.0276","","","0.072","0.0738","","","","","","1.086","","","","has coordinates,has disorder","245844","2020-10-21","18:00:00",""
"2311389","13.6185","0.0004","22.6439","0.0018","18.5341","0.0006","90","","90.811","0.003","90","","5714.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[tetrakis(tetrahydrofuran-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']dimagnesiate","","- C118 H186 Li2 Mg2 O14 -","- C118 H186 Li2 Mg2 O14 -","- C236 H372 Li4 Mg4 O28 -","2","0.5","ZS2380","Zhou, Hongyan; Wang, Lei","Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']-dimagnesiate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1026","1028","10.1107/S2056989017008337","","","0.71073","MoKα","","0.094","0.059","","","0.1312","0.1486","","","","","","1.046","","","","has coordinates","245845","2020-10-21","18:00:00",""
"2311390","7.087","0.002","10.446","0.003","6.692","0.0016","90","","116.61","0.02","90","","442.9","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(1,2-phenylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)","","- C6 H8 Cl2 N2 Pt -","- C6 H8 Cl2 N2 Pt -","- C12 H16 Cl4 N4 Pt2 -","2","0.5","WM5396","Konno, Yosuke; Matsushita, Nobuyuki","Crystal structure of di-chlorido-(1,2-phenyl-enedi-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1009","1012","10.1107/S2056989017008477","","","0.71075","MoKα","","0.0359","0.0341","","","0.0978","0.0991","","","","","","1.179","","","","has coordinates","245846","2020-10-21","18:00:00",""
"2311391","15.4638","0.0014","16.2069","0.001","17.6205","0.0015","90","","111.213","0.01","90","","4116.8","0.6","297","1","297","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Oxalato-κ^2^<i>O</i>^1^:<i>O</i>^2^-bis[triphenyl(dimethyl sulfoxide-κ<i>O</i>)tin(IV)]","","- C42 H42 O6 S2 Sn2 -","- C42 H42 O6 S2 Sn2 -","- C168 H168 O24 S8 Sn8 -","4","0.5","IM2477","Pouye, Serigne Fallou; Cisse, Ibrahima; Diop, Libasse; Dolmella, Alessandro; Bernès, Sylvain","Crystal structure of μ-oxalato-κ<sup>2</sup><i>O</i><sup>1</sup>:<i>O</i><sup>2</sup>-bis-[(dimethyl sulfoxide-κ<i>O</i>)tri-phenyl-tin(IV)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1033","1036","10.1107/S2056989017008519","","","0.71073","MoKα","","0.0984","0.0465","","","0.0747","0.0902","","","","","","1.021","","","","has coordinates,has disorder","245847","2020-10-21","18:00:00",""
"2311392","12.9983","0.0007","15.2709","0.001","15.5153","0.001","90","","90","","90","","3079.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dichlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')gold(III) hexafluoridophosphate","","- C12 H8 Au Cl2 F6 N2 P -","- C12 H8 Au Cl2 F6 N2 P -","- C96 H64 Au8 Cl16 F48 N16 P8 -","8","1","WM5398","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; Corbi, Pedro Paulo","Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')gold(III) hexa-fluorido-phosphate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1048","1051","10.1107/S2056989017008763","","","0.71073","MoKα","","0.0273","0.019","","","0.0381","0.0399","","","","","","1.007","","","","has coordinates","245848","2020-10-21","18:00:00",""
"2311393","12.2213","0.0002","42.2455","0.0007","15.5956","0.0003","90","","108.222","0.002","90","","7648.1","0.2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(<i>N</i>-{bis[methyl(phenyl)amino]phosphoryl}benzenesulfonamidato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)","","- C72 H71 La N11 O9 P3 S3 -","- C72 H71 La N11 O9 P3 S3 -","- C288 H284 La4 N44 O36 P12 S12 -","4","1","","Prytula-Kurkunova, Angelina Yu; Trush, Victor A.; Dyakonenko, Viktoriya V.; Sliva, Tetyana Yu; Amirkhanov, Vladimir M.","Tris(<i>N</i>-{bis-[meth-yl(phen-yl)amino]-phosphor-yl}benzene-sulfonamidato-κ<sup>2</sup><i>O</i>,<i>O</i>')(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')lanthanum(III).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1076","1081","10.1107/S2056989017008970","","","0.71073","MoKα","","0.0652","0.0467","","","0.1104","0.1193","","","","","","1.077","","","","has coordinates,has disorder","245849","2020-10-21","18:00:00",""
"2311394","10.8154","0.0009","9.3243","0.0007","13.3313","0.0011","90","","106.648","0.006","90","","1288.06","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dipotassium tetrathiocyanatomercurate(II)","","- C4 Hg K2 N4 S4 -","- C4 Hg K2 N4 S4 -","- C16 Hg4 K8 N16 S16 -","4","0.5","WM5399","Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian","Redetermination of the crystal structure of K<sub>2</sub>Hg(SCN)<sub>4</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1073","1075","10.1107/S2056989017009148","","","0.71073","MoKα","","0.0347","0.0244","","","0.0499","0.0533","","","","","","1.078","","","","has coordinates","245850","2020-10-21","18:00:00",""
"2311395","9.3022","0.001","28.482","0.003","5.5208","0.0006","90","","90","","90","","1462.7","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1<i>H</i>-1-Benzofuran-2-yl)-2-oxoethyl 2-nitrobenzoate","","- C17 H11 N O6 -","- C17 H11 N O6 -","- C68 H44 N4 O24 -","4","1","QM2116","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.049","0.0382","","","0.0797","0.0854","","","","","","1.08","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311396","5.1839","0.0012","10.853","0.003","12.269","0.003","93.562","0.003","91.167","0.003","98.714","0.003","680.7","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","2-(1<i>H</i>-1-Benzofuran-2-yl)-2-oxoethyl 2-aminobenzoate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C34 H26 N2 O8 -","2","1","","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.0735","0.0464","","","0.1032","0.1229","","","","","","1.082","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311397","5.5333","0.0008","11.3212","0.0017","11.5186","0.0018","92.283","0.003","91.536","0.003","99.638","0.003","710.41","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-chlorobenzoate","","- C17 H11 Cl O4 -","- C17 H11 Cl O4 -","- C34 H22 Cl2 O8 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies <i>via</i> a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0611","0.0449","","","0.1286","0.1453","","","","","","1.033","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311398","7.4094","0.0003","9.7566","0.0004","10.5832","0.0005","83.43","0.001","71.808","0.001","87.265","0.001","721.99","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-methoxybenzoate","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies <i>via</i> a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0543","0.0451","","","0.115","0.1242","","","","","","1.04","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311399","8.7837","0.0012","12.091","0.0016","14.0097","0.0019","97.5367","0.0015","105.15","0.0014","109.318","0.0014","1316.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Chlorido(dimethyl sulfoxide-κ<i>S</i>)bis[4-(pyridin-2-yl)benzaldehyde-κ^2^<i>C</i>^3^,<i>N</i>]iridium(III) acetonitrile monosolvate","","- C28 H25 Cl Ir N3 O3 S -","- C28 H25 Cl Ir N3 O3 S -","- C56 H50 Cl2 Ir2 N6 O6 S2 -","2","1","WM5400","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","Crystal structure of chlorido-(dimethyl sulfoxide-κ<i>S</i>)bis-[4-(pyridin-2-yl)benzaldehyde-κ<sup>3</sup><i>C</i><sup>2</sup>,<i>N</i>]iridium(III) aceto-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1279","1281","10.1107/S2056989017010945","","","0.71073","MoKα","","0.0158","0.0152","","","0.0363","0.0365","","","","","","1.681","","","","has coordinates","245853","2020-10-21","18:00:00",""
"2311400","6.6663","0.0003","10.6256","0.0005","33.3005","0.0017","90","","90","","90","","2358.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrin J","(4a<i>R</i>,5<i>S</i>,6a<i>R</i>,11a<i>R</i>,11b<i>R</i>)-4a-Hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-5-yl cinnamate","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","HB7687","Ogbeide, K. Osahon; Mujeeb-Ur-Rehman, ?; Owolabi, J. Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of pulcherrin J.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1572","1575","10.1107/S2056989017011239","","","1.54178","CuKα","","0.0531","0.0384","","","0.0769","0.0817","","","","","","1.047","","","","has coordinates","245855","2020-10-21","18:00:00",""
"2311401","11.6496","0.0007","18.5016","0.0011","17.1626","0.0009","90","","105.176","0.0016","90","","3570.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>^2^,<i>N</i>^6^-Bis(di-<i>tert</i>-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II)‒[bis(di-<i>tert</i>-butylphosphanyl)({6-[(di-<i>tert</i>-butylphosphanyl)amino]pyridin-2-yl}amino)phosphine oxide]dibromidomanganese(II)‒tetrahydrofuran (0.94/0.06/2)","","- C29 H57 Br2 Mn N3 O2.057 P2 -","- C29 H57.0016 Br2 Mn N3 O2.0569 P2 -","- C116 H228.006 Br8 Mn4 N12 O8.2276 P8 -","4","1","SJ5533","Rotter, Markus; Mastalir, Matthias; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Crystal structure of the tetra-hydro-furan disolvate of a 94:6 solid solution of [<i>N</i><sup>2</sup>,<i>N</i><sup>6</sup>-bis-(di-<i>tert</i>-butyl-phosphan-yl)pyridine-2,6-di-amine]-dibromido-manganese(II) and its monophosphine oxide analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1308","1311","10.1107/S2056989017011276","","","0.71073","MoKα","","0.064","0.0394","","","0.0438","0.0453","","","","","","1.92","","","","has coordinates","245856","2020-10-21","18:00:00",""
"2311402","7.6304","0.0003","13.1897","0.0006","9.667","0.0004","90","","104.974","0.0017","90","","939.87","0.07","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(1,3-dimethyl-2,6-dioxo-7<i>H</i>-purin-7-ido-κ<i>N</i>^7^)cobalt(II)","","- C14 H22 Co N8 O8 -","- C14 H22 Co N8 O8 -","- C28 H44 Co2 N16 O16 -","2","0.5","","El Hamdani, Hicham; El Amane, Mohammed; Duhayon, Carine","Crystal structure of tetra-aqua-bis-(1,3-dimethyl-2,6-dioxo-7<i>H</i>-purin-7-ido-κ<i>N</i><sup>7</sup>)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1302","1304","10.1107/S2056989017011379","","","0.71073","MoKα","","0.0211","0.0208","","0.0236","0.023","0.0229","","","","","","1","","","","has coordinates","245857","2020-10-21","18:00:00",""
"2311403","5.5357","0.0016","8.548","0.002","27.026","0.007","90","","90","","90","","1278.8","0.6","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate:","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C52 H52 F4 N8 O12 -","4","1","DS2246","Patel, U. H.; Jotaniya, Chintan; Shah, D. A.; Socha, Bhavesh","Ethyl 2-amino-1-(4-fluoro-phen-yl)-5-oxo-4,5-di-hydro-1<i>H</i>-pyrrole-3-carboxyl-ate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1336","1340","10.1107/S2056989017011628","","","0.71073","MoKα","","","0.075","","","","0.148","","","","","","1.181","","","","has coordinates","245858","2020-10-21","18:00:00",""
"2311404","20.471","0.0008","5.5578","0.0002","10.791","0.0003","90","","98.122","0.003","90","","1215.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-Adipato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis[aqua(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')chloridocadmium]","","- C18 H28 Cd2 Cl2 N4 O6 -","- C18 H28 Cd2 Cl2 N4 O6 -","- C36 H56 Cd4 Cl4 N8 O12 -","2","0.5","HB7697","Rahman, Wannur Sofiasalamah Khairiah A.; Ahmad, J.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","(μ<sub>2</sub>-Adipato-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis-[aqua-(benzene-1,2-di-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1363","1367","10.1107/S2056989017011677","","","0.71073","MoKα","","0.0355","0.0281","","","0.0605","0.0648","","","","","","1.043","","","","has coordinates","245859","2020-10-21","18:00:00",""
"2311405","23.4004","0.0005","15.1685","0.0004","9.2353","0.0003","90","","90","","90","","3278.06","0.15","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(nicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>)zinc","","- C32 H36 N4 O7 Zn -","- C32 H36 N4 O7 Zn -","- C128 H144 N16 O28 Zn4 -","4","0.5","IS5478","Hökelek, Tuncer; Aşkın, Gülçin Şefiye; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ<i>N</i><sup>1</sup>)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)zinc.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1348","1352","10.1107/S2056989017011690","","","0.71073","MoKα","","0.0575","0.0446","","","0.1177","0.1272","","","","","","1.082","","","","has coordinates","245860","2020-10-21","18:00:00",""
"2311406","29.5091","0.0015","6.227","0.0004","20.2703","0.001","90","","91.13","0.004","90","","3724","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2,6-Di-<i>tert</i>-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-ylidene)methyl}phenol","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C160 H216 N24 O8 -","8","1","HG5492","Faizi, Md Serajul Haque; Haque, Ashanul; Dege, Mustafa; Dege, Necmi; Malysheva, Maria L.","Crystal structure and DFT study of (<i>E</i>)-2,6-di-<i>tert</i>-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-yl-idene)meth-yl}phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1449","1452","10.1107/S2056989017011707","","","0.71073","MoKα","","0.1935","0.101","","","0.268","0.3213","","","","","","0.961","","","","has coordinates","245861","2020-10-21","18:00:00",""
"2311407","6.897","0.002","7.05","0.001","9.853","0.003","101.042","0.007","109.559","0.01","94.196","0.006","438.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-pyridine <i>N</i>-oxide)]","","- C5 H7 Cl2 Mn N O2 -","- C5 H7 Cl2 Mn N O2 -","- C10 H14 Cl4 Mn2 N2 O4 -","2","1","ZL2709","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.037","0.0311","","","0.0729","0.0797","","","","","","1.136","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311408","6.862","0.002","7.491","0.002","18.047","0.005","90","","90","","90","","927.7","0.4","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-2-methylpyridine <i>N</i>-oxide)]","","- C6 H9 Cl2 Mn N O2 -","- C6 H9 Cl2 Mn N O2 -","- C24 H36 Cl8 Mn4 N4 O8 -","4","1","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71075","MoKα","","0.0631","0.0511","","","0.094","0.1","","","","","","1.119","","","","has coordinates,has disorder","245862","2020-10-21","18:00:00",""
"2311409","7.902","0.007","8.026","0.007","9.893","0.008","98.033","0.001","99.272","0.007","113.634","0.011","552.6","0.8","173","2","173","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-3-methylpyridine <i>N</i>-oxide)bis[diaquadichloridomanganese(II)]","","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","1","0.5","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.033","0.0313","","","0.0852","0.0871","","","","","","1.07","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311410","8.073","0.0004","11.0143","0.0004","23.0453","0.0007","87.54","0.003","89.175","0.003","87.729","0.003","2045.49","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethoxy-2-{[2-(pyridin-2-yl)ethylimino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)bis(dimethyl sulfoxide)manganese(III) perchlorate methanol 0.774-solvate","","- C36.77 H49.1 Cl Mn N4 O12.77 S2 -","- C36.774 H49.096 Cl Mn N4 O12.774 S2 -","- C73.548 H98.192 Cl2 Mn2 N8 O25.548 S4 -","2","1","IM2481","Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.","Bis(3,5-dimeth-oxy-2-{[2-(pyridin-2-yl)ethyl-imino-κ<i>N</i>]-meth-yl}phenolato-κ<i>O</i>)bis-(dimethyl sulfoxide)-manganese(III) perchlorate methanol 0.774-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1479","1482","10.1107/S205698901701204X","","","0.71073","MoKα","","0.0782","0.0603","","","0.1387","0.1487","","","","","","1.103","","","","has coordinates,has disorder","245863","2020-10-21","18:00:00",""
"2311411","7.8273","0.001","6.4466","0.001","6.1304","0.0008","90","","90","","90","","309.34","0.07","173","2","173","2","","","","","","","","3","P m n 21","P 2ac -2","31","","Lithium tetrachloridoaluminate","","- Al Cl4 Li -","- Al Cl4 Li -","- Al2 Cl8 Li2 -","2","0.5","WM5410","Prömper, Stephan W; Frank, Walter","Lithium tetra-chlorido-aluminate, LiAlCl<sub>4</sub>: a new polymorph (<i>oP</i>12, <i>Pmn</i>2<sub>1</sub>) with Li<sup>+</sup> in tetra-hedral inter-stices.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1426","1429","10.1107/S205698901701235X","","","0.71073","MoKα","","0.0309","0.0282","","","0.074","0.0745","","","","","","1.207","","","","has coordinates","245864","2020-10-21","18:00:00",""
"2311412","14.71","0.0011","10.7163","0.0006","14.9312","0.0012","90","","91.828","0.01","90","","2352.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-tetrakis[μ-4-(ammoniomethyl)cyclohexane-1-carboxylato-\ <i>O</i>,<i>O</i>']dicopper(II) dichloride hexahydrate","","- C32 H72 Cl4 Cu2 N4 O14 -","- C32 H72 Cl4 Cu2 N4 O14 -","- C64 H144 Cl8 Cu4 N8 O28 -","2","0.5","","Altaf, Muhammad; Stoeckli-Evans, Helen","A copper(II) paddle-wheel structure of tranexamic acid: di-chloro-tetra-kis-[μ-4-(ammonio-meth-yl)cyclo-hexane-1-carboxyl-ato-<i>O</i>,<i>O</i>']dicopper(II) dichloride hexa-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1421","1425","10.1107/S2056989017012543","","","0.71073","MoKα","","0.0907","0.0666","","","0.1846","0.1964","","","","","","1.019","","","","has coordinates","245865","2020-10-21","18:00:00",""
"2311413","10.9097","0.0003","12.9481","0.0003","15.4066","0.0004","97.78","0.002","99.924","0.002","99.003","0.002","2087.68","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","Bis(<i>N</i>,<i>N</i>'-dicyclohexylamidinatocarboranate)tin(II)","","- C30 H66 B20 N4 Sn -","- C30 H66 B20 N4 Sn -","- C60 H132 B40 N8 Sn2 -","2","1","ZL2714","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0256","0.022","","","0.0565","0.0577","","","","","","1.049","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311414","11.3063","0.0004","13.4631","0.0004","13.7953","0.0004","97.078","0.002","106.572","0.002","113.377","0.002","1779.52","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Bis(<i>N</i>,<i>N</i>'-diisopropylamidinatocarboranate)chloridotin(IV)","","- C18 H49 B20 Cl N4 Sn -","- C18 H49 B20 Cl N4 Sn -","- C36 H98 B40 Cl2 N8 Sn2 -","2","1","","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0526","0.0394","","","0.087","0.0917","","","","","","1.015","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311415","11.69","0.004","8.33","0.002","16.16","0.005","90","","90.31","0.02","90","","1573.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Azaniumyl-2,2,6,6-tétraméthylpipéridin-1-ium diperchlorate","","- C9 H22 Cl2 N2 O8 -","- C9 H22 Cl2 N2 O8 -","- C36 H88 Cl8 N8 O32 -","4","1","VM2204","Chebbi, Hammouda; Boumakhla, Abdessalem; Zid, Mohamed Faouzi; Guesmi, Abderrahmen","Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-aza-niumyl-2,2,6,6-tétraméthylpipéridin-1-ium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1453","1457","10.1107/S2056989017012695","","","0.71073","MoKα","","0.0901","0.0606","","","0.1568","0.1759","","","","","","1.038","","","","has coordinates,has disorder","245867","2020-10-21","18:00:00",""
"2311416","8.829","0.005","11.68","0.007","7.727","0.005","90","","113.475","0.01","90","","730.9","0.8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EBTB","2-(Benzenecarbothioyloxy)ethyl benzenecarbothioate","","- C16 H14 O2 S2 -","- C16 H14 O2 S2 -","- C32 H28 O4 S4 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0318","0.0291","","","0.0777","0.0802","","","","","","1.029","","","","has coordinates","245868","2020-10-21","18:00:00",""
"2311417","8.8","0.005","11.403","0.006","7.506","0.004","90","","113.831","0.006","90","","689","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EMTB","2-(Benzenecarbothioyloxy)ethyl benzoate","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C32 H28 O6 S2 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0452","0.0382","","","0.0855","0.0897","","","","","","1.079","","","","has coordinates,has disorder","245868","2020-10-21","18:00:00",""
"2311418","11.499","0.004","8.571","0.0019","25.945","0.007","90","","95.515","0.008","90","","2545.2","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>-2-hydroxyethyl,<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,\ <i>S</i>)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-\ κ<i>N</i>^1^)zinc(II)","","- C20 H26 N6 O2 S4 Zn -","- C20 H26 N6 O2 S4 Zn -","- C80 H104 N24 O8 S16 Zn4 -","4","1","HB7702","Broker, Grant A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis[<i>N</i>-2-hy-droxy-ethyl,<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>)'-4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine-κ<i>N</i><sup>1</sup>)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1458","1464","10.1107/S2056989017012725","","","0.71069","MoKα","","0.0543","0.0497","","","0.1287","0.1322","","","","","","1.126","","","","has coordinates","245869","2020-10-21","18:00:00",""
"2311419","8.3993","0.0003","9.103","0.0003","15.6862","0.0005","92.116","0.002","101.113","0.002","112.81","0.002","1076.53","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","flucetosulfuron","1-[3-({[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)pyridin-2-yl]-\ 2-fluoropropyl 2-methoxyacetate","","- C18 H22 F N5 O8 S -","- C18 H22 F N5 O8 S -","- C36 H44 F2 N10 O16 S2 -","2","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of flucetosulfuron.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1439","1442","10.1107/S2056989017012737","","","0.71073","MoKα","","0.0506","0.0394","","","0.0934","0.0986","","","","","","1.062","","","","has coordinates","245870","2020-10-21","18:00:00",""
"2311420","8.1358","0.0002","23.8364","0.0007","10.5983","0.0003","90","","110.21","0.001","90","","1928.77","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzenesulfonyl-2-methyl-3-(4-nitrobenzoyl)-2,3-dihydro-1<i>H</i>-indole","","- C22 H16 N2 O5 S -","- C22 H16 N2 O5 S -","- C88 H64 N8 O20 S4 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0472","0.0422","","","0.1139","0.1177","","","","","","1.065","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311421","8.93","0.0002","10.8141","0.0003","18.6398","0.0005","90","","90","","90","","1800.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzenesulfonyl-2-methyl-3-[(thiophen-2-yl)carbonyl]-2,3-dihydro-1<i>H</i>-indole","","- C20 H15 N O3 S2 -","- C20 H15 N O3 S2 -","- C80 H60 N4 O12 S8 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0422","0.0394","","","0.1038","0.1064","","","","","","1.061","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311422","7.6131","0.0005","11.7216","0.0007","27.7076","0.0017","90","","90","","90","","2472.6","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6a<i>R</i>,6 b<i>R</i>,8a<i>S</i>,9a<i>R</i>,12a<i>R</i>,14b<i>R</i>)-4,4,6a,6 b,8a,14b-Hexamethyl-12-methyleneicosahydro-3<i>H</i>-phenanthro[1',2':6,7]indeno[2,1-<i>b</i>]furan-3,11(2<i>H</i>)-dione","","- C30 H44 O3 -","- C30 H44 O3 -","- C120 H176 O12 -","4","1","LH4023","Herrera-España, Angel D; Mena-Rejón, Gonzalo J; Hernández-Ortega, Simón; Quijano, Leovigildo; Mirón-López, Gumersindo","Crystal structure of ochraceolide A isolated from <i>Elaeodendron trichotomum</i> (Turcz.) Lundell.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1475","1478","10.1107/S2056989017012816","","","1.54178","CuKα","","0.0668","0.0608","","","0.1565","0.1639","","","","","","1.088","","","","has coordinates","245872","2020-10-21","18:00:00",""
"2311423","9.8815","0.0006","14.0448","0.0009","21.2332","0.0013","90","","99.924","0.002","90","","2902.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>}(tri-4-tolylphosphane-κ<i>P</i>)gold(I)","","- C30 H30 Au N2 O3 P S -","- C30 H30 Au N2 O3 P S -","- C120 H120 Au4 N8 O12 P4 S4 -","4","1","HB7703","Kuan, Fong Sheen; Jotani, Mukesh M.; Tiekink, Edward R. T.","New monoclinic form of {<i>O</i>-Ethyl <i>N</i>-(4-nitro-phen-yl)thio-carbamato-κ<i>S</i>}(tri-4-tolyl-phosphane-κ<i>P</i>)gold(I): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1465","1471","10.1107/S2056989017012865","","","0.71069","MoKα","","0.0429","0.0307","","","0.0724","0.078","","","","","","0.947","","","","has coordinates","245873","2020-10-21","18:00:00",""
"2311424","9.2545","0.0009","21.7246","0.0019","9.4531","0.0009","90","","94.763","0.009","90","","1894","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.1288","0.064","","","0.152","0.1945","","","","","","1.038","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311425","7.5208","0.0003","8.3919","0.0003","22.2282","0.0007","85.099","0.003","84.294","0.003","75.117","0.003","1346.5","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxy\ acetoxy]ethylammonium 2,4,6-trinitrophenolate","","- C27 H26 N4 O10 -","- C27 H26 N4 O10 -","- C54 H52 N8 O20 -","2","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.0863","0.0529","","","0.1158","0.1359","","","","","","1.048","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311426","7.4849","0.0002","16.2063","0.0004","20.0959","0.0007","90","","90","","90","","2437.68","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.1088","0.0526","","","0.104","0.1237","","","","","","1.013","","","","has coordinates","245875","2020-10-21","18:00:00",""
"2311427","7.5106","0.0002","10.0155","0.0003","18.5203","0.0005","75.646","0.002","88.438","0.002","86.344","0.002","1346.81","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","","- C26 H30 N O10.5 -","- C26 H30 N O10.5 -","- C52 H60 N2 O21 -","2","2","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.0737","0.0436","","","0.106","0.1211","","","","","","1.023","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311428","8.726","0.0007","15.236","0.003","8.6642","0.0007","90","","98.046","0.008","90","","1140.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-Aminomethylidene-2,3-pentamethylenepyrido[2,3-<i>d</i>]pyrimidin-4-one","(<i>E</i>)-11-(Aminomethylene)-8,9,10,11-tetrahydropyrido[2',3':4,5]pyrimido[1,2-<i>a</i>]azepin-5(7<i>H</i>)-one","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","XU5905","Khodjaniyazov, Khamid U.; Makhmudov, Utkir S.; Turgunov, Kambarali K.; Elmuradov, Burkhon Z.","Unusual formation of (<i>E</i>)-11-(amino-methyl-ene)-8,9,10,11-tetra-hydro-pyrido[2',3':4,5]pyrimido[1,2-<i>a</i>]azepin-5(7<i>H</i>)-one and its crystal structure.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1497","1500","10.1107/S2056989017013093","","","1.54184","CuKα","","0.0865","0.0497","","","0.1154","0.1413","","","","","","1.038","","","","has coordinates","245876","2020-10-21","18:00:00",""
"2311429","22.5649","0.0016","12.6823","0.0009","14.9051","0.0011","90","","129.699","0.003","90","","3281.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","fipronil","5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethane)sulfinyl]-1<i>H</i>-pyrazole-3-carbonitrile","","- C12 H4 Cl2 F6 N4 O S -","- C12 H4 Cl2 F6 N4 O S -","- C96 H32 Cl16 F48 N32 O8 S8 -","8","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of fipronil.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1472","1474","10.1107/S205698901701310X","","","0.71073","MoKα","","0.0796","0.0483","","","0.1055","0.1202","","","","","","1.032","","","","has coordinates,has disorder","245877","2020-10-21","18:00:00",""
"2311430","7.597","0.0007","11.6665","0.0012","7.6754","0.0008","90","","114.2","0.003","90","","620.49","0.11","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","SU5390","Fábry, Jan","4-Amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42: a redetermination from the original data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1508","1512","10.1107/S2056989017013226","","","0.71073","MoKα","","0.0712","0.0307","","","0.056","0.0668","","","","","","1.29","","","","has coordinates","245878","2020-10-21","18:00:00",""
"2311431","5.9168","0.0003","28.3733","0.0012","21.0782","0.0011","90","","97.836","0.005","90","","3505.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzhydryloxy)-1-[4-(4-<i>tert</i>-butylphenyl)-4-oxobutyl]piperidinium 3,5-dinitrobenzoate","","- C39 H43 N3 O8 -","- C39 H43 N3 O8 -","- C156 H172 N12 O32 -","4","1","SU5391","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Kumar, S. Madan; Glidewell, Christopher","Crystal structure of ebastinium 3,5-di-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1513","1516","10.1107/S205698901701324X","","","0.71073","MoKα","","0.1127","0.0651","","","0.1465","0.1794","","","","","","1.047","","","","has coordinates,has disorder","245879","2020-10-21","18:00:00",""
"2311432","8.2228","0.0009","18.1289","0.0019","9.945","0.001","90","","106.612","0.003","90","","1420.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-<i>N</i>-(piperidine-1-carbonothioyl)benzamide","","- C14 H18 N2 O2 S -","- C14 H18 N2 O2 S -","- C56 H72 N8 O8 S4 -","4","1","","Suhud, Khairi; Hasbullah, Siti Aishah; Ahmad, Musa; Heng, Lee Yook; Kassim, Mohammad B.","Crystal structure of 4-meth-oxy-<i>N</i>-(piperidine-1-carbono-thio-yl)benzamide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1530","1533","10.1107/S2056989017013317","","","0.71073","MoKα","","0.1009","0.0813","","","0.2239","0.2507","","","","","","1.027","","","","has coordinates","245880","2020-10-21","18:00:00",""
"2311433","3.9464","0.0002","11.5015","0.0005","19.297","0.0009","90","","90","","90","","875.88","0.07","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Di(thiophen-3-yl) ketone","Bis(thiophen-3-yl)methanone","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C36 H24 O4 S8 -","4","0.5","QM2119","Hübscher, Jörg; Augustin, André U; Seichter, Wilhelm; Weber, Edwin","Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1560","1562","10.1107/S2056989017013342","","","0.71073","MoKα","","0.0744","0.0472","","","0.1264","0.1608","","","","","","1.129","","","","has coordinates","245881","2020-10-21","18:00:00",""
"2311434","22.2362","0.0007","6.7922","0.0018","18.9098","0.0005","90","","103.989","0.003","90","","2771.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,6-Dibromo-4-{2-[1-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-perfluorooctyl)pyridinium-4-yl]ethenyl}phenolate methanol disolvate","","- C23 H20 Br2 F13 N O3 -","- C23 H20 Br2 F13 N O3 -","- C92 H80 Br8 F52 N4 O12 -","4","1","LH5850","Fliri, Lukas; Partl, Gabriel; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","(<i>E</i>)-2,6-Di-bromo-4-{2-[1-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-perfluoro-oct-yl)pyridinium-4-yl]ethen-yl}phenolate methanol disolvate, a fluoro-ponytailed solvatochromic dye.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1526","1529","10.1107/S2056989017013378","","","1.54184","CuKα","","0.0556","0.0401","","","0.0948","0.1059","","","","","","1.048","","","","has coordinates,has disorder","245882","2020-10-21","18:00:00",""
"2311435","11.42069","0.00019","7.23911","0.00012","21.699","0.0003","90","","103.154","0.0016","90","","1746.91","0.05","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aqua[aqua/chlorido(0.49/0.51)](2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) 0.49-chloride 1.51-hydrate","","- C10 H19 Cl2 Cu N7 O3 S -","- C10 H19 Cl2 Cu N7 O3 S -","- C40 H76 Cl8 Cu4 N28 O12 S4 -","4","1","ZL2715","Moyaert, Tristen E.; Paul, Christina; Chen, Weibin; Sarjeant, Amy A.; Dawe, Louise N.","Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1534","1538","10.1107/S205698901701338X","","","1.54178","CuKα","","0.0386","0.0297","","","0.0742","0.079","","","","","","1.04","","","","has coordinates,has disorder","245883","2020-10-21","18:00:00",""
"2311436","9.899","0.0013","10.103","0.0016","28.961","0.006","90","","90","","90","","2896.4","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α,11α-Epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate","","- C31 H48 O6 -","- C31 H48 O6 -","- C124 H192 O24 -","4","1","RZ5221","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1603","1606","10.1107/S2056989017013391","","","0.71073","MoKα","","0.1117","0.0577","","","0.1041","0.1212","","","","","","1.022","","","","has coordinates,has disorder","245884","2020-10-21","18:00:00",""
"2311437","7.9888","0.0003","12.7596","0.0006","13.2311","0.0005","111.037","0.001","104.075","0.001","99.628","0.002","1171.76","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{[1'-(Diphenylphosphino)ferrocenyl]methyl}dimethylammonium chloride monohydrate","","- C25 H29 Cl Fe N O P -","- C25 H29 Cl Fe N O P -","- C50 H58 Cl2 Fe2 N2 O2 P2 -","2","1","IM2484","Zábranský, Martin; Štěpnička, Petr","Crystal structure of {[1'-(di-phenyl-phosphino)ferrocen-yl]meth-yl}di-methyl-ammonium chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1539","1541","10.1107/S2056989017013408","","","0.71073","MoKα","","0.0331","0.0281","","","0.071","0.0735","","","","","","1.057","","","","has coordinates","245885","2020-10-21","18:00:00",""
"2311438","8.2456","0.001","13.7471","0.0017","9.6878","0.0012","90","","92.643","0.004","90","","1097","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]ethane","","- C6 H10 N8 S2 -","- C6 H10 N8 S2 -","- C24 H40 N32 S8 -","4","1","","Argibay-Otero, Saray; Gómez-Paz, Olaya; Carballo, Rosa","A monoclinic polymorph of 1,2-bis-[(1-methyl-1<i>H</i>-tetra-zol-5-yl)sulfan-yl]ethane (BMTTE).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1523","1525","10.1107/S205698901701341X","","","0.71073","MoKα","","0.0232","0.0222","","","0.0565","0.0569","","","","","","1.075","","","","has coordinates","245886","2020-10-21","18:00:00",""
"2311439","12.8997","0.0004","7.5361","0.0003","20.9747","0.0007","90","","102.99","0.0006","90","","1986.84","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-<i>N</i>-(pyridin-3-ylmethyl)pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] hexafluoridophosphate acetonitrile disolvate]","","- C15 H17 Ag F6 N5 P -","- C15 H17 Ag F6 N5 P -","- C60 H68 Ag4 F24 N20 P4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of an Ag<sup>I</sup> inter-calation compound: <i>catena</i>-poly[[silver(I)-μ-<i>N</i>-(pyridin-3-ylmeth-yl)pyridin-3-amine-κ<sup>2</sup><i>N</i>:<i>N</i>'] hexa-fluorido-phosphate aceto-nitrile disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1542","1545","10.1107/S2056989017013421","","","0.71073","MoKα","","0.0431","0.0309","","","0.0707","0.0807","","","","","","1.096","","","","has coordinates,has disorder","245887","2020-10-21","18:00:00",""
"2311440","7.0528","0.0014","13.798","0.003","7.4792","0.0015","90","","93.02","0.03","90","","726.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium dihydrogen arsenate","","- As H2 Na O4 -","- As H2 Na O4 -","- As8 H16 Na8 O32 -","8","2","HB7706","Ring, Joseph; Lindenthal, Lorenz; Weil, Matthias; Stöger, Berthold","Crystal structure of sodium di-hydrogen arsenate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1520","1522","10.1107/S2056989017013470","","","0.71073","MoKα","","0.0571","0.0298","","","0.053","0.0588","","","","","","1.035","","","","has coordinates","245888","2020-10-21","18:00:00",""
"2311441","7.5235","0.0013","11.717","0.002","13.644","0.002","66.694","0.004","78.757","0.004","81.374","0.004","1079.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonylchloridobis(4-hydroxypyridine)rhenium(I)‒\ pyridin-4(1<i>H</i>)-one (1/1)","","- C18 H15 Cl N3 O6 Re -","- C18 H15 Cl N3 O6 Re -","- C36 H30 Cl2 N6 O12 Re2 -","2","1","ZL2716","Argibay-Otero, Saray; Carballo, Rosa; Vázquez-López, Ezequiel M","Crystal structure of <i>fac</i>-tri-carbonyl-chlorido-bis-(4-hy-droxy-pyridine)-rhenium(I)-pyridin-4(1<i>H</i>)-one (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1551","1554","10.1107/S2056989017013512","","","0.71073","MoKα","","0.0303","0.0288","","","0.0755","0.0766","","","","","","1.347","","","","has coordinates","245889","2020-10-21","18:00:00",""
"2311442","11.9402","0.0007","3.7005","0.0002","21.7919","0.0013","90","","121.278","0.002","90","","822.92","0.08","120","1","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","bis(2-pyridone) chloranilic acid","Bis[pyridin-2(1<i>H</i>)-one] 2,5-dichloro-3,6-dihydroxy-1,4-bebzoquinone","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0278","0.0271","","","0.0757","0.0763","","","","","","1.056","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311443","8.3659","0.0006","8.5492","0.0006","11.7087","0.0008","90","","106.968","0.003","90","","800.97","0.1","120","1","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-hyroxypyridinium) chloranilate","Bis(3-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0294","0.0275","","","0.0738","0.0751","","","","","","1.072","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311444","5.49136","0.00013","8.2195","0.0004","18.1382","0.0009","102.177","0.003","93.952","0.003","95.316","0.004","793.53","0.06","120","1","120","2","","","","","","","","5","P -1","-P 1","2","bis(4-hyroxypyridinium) chloranilate","Bis(4-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","1","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0399","0.0304","","","0.077","0.0798","","","","","","1.071","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311445","8.34","0.002","10.657","0.002","9.197","0.002","90","","109.37","0.03","90","","771.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium indium bis(hydrogen arsenate)","Potassium indium bis[hydrogen arsenate(V)]","","- As2 H2 In K O8 -","- As2 H2 In K O8 -","- As8 H8 In4 K4 O32 -","4","0.5","PJ2047","Schwendtner, Karolina; Kolitsch, Uwe","<i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0227","0.0194","","","0.0452","0.046","","","","","","1.094","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311446","8.512","0.001","8.512","0.001","56.434","0.011","90","","90","","120","","3541.1","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium indium bis(hydrogen arsenate)","Rubidium indium bis[hydrogen arsenate(V)]","","- As2 H2 In O8 Rb -","- As2 H2 In O8 Rb0.999733 -","- As36 H36 In18 O144 Rb17.9952 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","<i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0251","0.0184","","","0.039","0.041","","","","","","1.116","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311447","8.629","0.001","8.629","0.001","56.986","0.011","90","","90","","120","","3674.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","caesium indium bis(hydrogen arsenate)","Caesium indium bis[hydrogen arsenate(V)]","","- As2 Cs H2 In O8 -","- As2 Cs H2 In O8 -","- As36 Cs18 H36 In18 O144 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","<i>M</i>In(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i> = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0299","0.0217","","","0.0488","0.052","","","","","","1.073","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311448","8.2959","0.0003","10.3169","0.0004","27.7884","0.0009","92.969","0.001","98.241","0.001","109.62","0.001","2204.36","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κ<i>N</i>)aqua[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate","","- C16 H23 Cl2 N5 O9 Zn -","- C16 H23 Cl2 N5 O9 Zn -","- C64 H92 Cl8 N20 O36 Zn4 -","4","2","IM2479","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","(Aceto-nitrile-κ<i>N</i>)aqua-[<i>N</i>,<i>N</i>'-bis-(pyridin-2-yl-methyl)ethane-1,2-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1568","1571","10.1107/S2056989017013603","","","0.71073","MoKα","","0.0535","0.0415","","","0.1022","0.1073","","","","","","1.053","","","","has coordinates,has disorder","245892","2020-10-21","18:00:00",""
"2311449","11.0838","0.0004","18.0949","0.0007","10.661","0.0004","90","","101.474","0.002","90","","2095.44","0.14","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ~2~-Chlorido-dichlorido(μ~2~-2-{[2-(dimethylamino)ethyl]iminomethyl}phenolato)(<i>N</i>,<i>N</i>-dimethylethylenediamine)dicopper(II) 0.11-hydrate","","- C15 H27.22 Cl3 Cu2 N4 O1.11 -","- C15 H27 Cl3 Cu2 N4 O1.108 -","- C60 H108 Cl12 Cu8 N16 O4.432 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","<i>N</i>,<i>N</i>',<i>N</i>'' <i>versus N</i>,<i>N</i>',<i>O</i> imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear Cu<sup>II</sup> compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0256","0.022","","","0.0545","0.0562","","","","","","1.03","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311450","6.9667","0.0005","24.735","0.002","7.9294","0.0006","90","","103.693","0.004","90","","1327.57","0.18","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]copper(II) monohydrate","","- C10 H17 Cl2 Cu N3 O -","- C10 H17 Cl2 Cu N3 O -","- C40 H68 Cl8 Cu4 N12 O4 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","<i>N</i>,<i>N</i>',<i>N</i>'' <i>versus N</i>,<i>N</i>',<i>O</i> imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear Cu<sup>II</sup> compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0418","0.0399","","","0.1067","0.1082","","","","","","1.101","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311451","10.1437","0.0008","10.1437","0.0008","21.4664","0.0015","90","","90","","90","","2208.8","0.3","296","2","296.15","","","","","","","","","6","P 43","P 4cw","78","","Poly[diaquabis(μ~5~-benzene-1,3-dicarboxylato)(<i>N</i>,<i>N</i>-dimethylformamide)cadmium(II)disodium(I)]","","- C19 H19 Cd N Na2 O11 -","- C19 H19 Cd N Na2 O11 -","- C76 H76 Cd4 N4 Na8 O44 -","4","1","PJ2046","Sangsawang, Matimon; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure of poly[di-aqua-bis-(μ<sub>5</sub>-benzene-1,3-di-carboxyl-ato)(<i>N</i>,<i>N</i>-di-methyl-formamide)-cadmium(II)disodium(I)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1599","1602","10.1107/S2056989017013871","","","0.71073","MoKα","","0.0321","0.0277","","","0.0661","0.0677","","","","","","1.031","","","","has coordinates,has disorder","245894","2020-10-21","18:00:00",""
"2311452","22.432","0.003","8.1656","0.0012","15.036","0.002","90","","98.636","0.003","90","","2722.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-μ~3~-bis(pyridin-3-ylmethyl)sulfane-κ^3^<i>N</i>:<i>N</i>':<i>S</i>] nitrate]","","- C12 H12 Ag N3 O3 S -","- C12 H12 Ag N3 O3 S -","- C96 H96 Ag8 N24 O24 S8 -","8","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a twisted-ribbon type double-stranded Ag<sup>I</sup> coordination polymer: <i>catena</i>-poly[[silver(I)-μ<sub>3</sub>-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>3</sup><i>N</i>:<i>N</i>':<i>S</i>] nitrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1587","1589","10.1107/S2056989017013925","","","0.71073","MoKα","","0.0811","0.0436","","","0.0935","0.1087","","","","","","0.972","","","","has coordinates,has disorder","245895","2020-10-21","18:00:00",""
"2311453","7.1755","0.0005","10.7013","0.0008","16.2586","0.0011","86.072","0.003","78.868","0.002","73.222","0.003","1172.71","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-7-[(4-Nitrophenyl)diazenyl]-3a-(<i>p</i>-tolyl)-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-acetonitrile solvate","","- C25 H23.75 N5.41 O3.59 S0.59 -","- C25 H23.755 N5.415 O3.585 S0.585 -","- C50 H47.51 N10.83 O7.17 S1.17 -","2","1","YK2109","Grinev, Vyacheslav S.; Babkina, Natalya V.; Yegorova, Alevtina Yu","(<i>E</i>)-7-[(4-Nitro-phen-yl)diazen-yl]-3a-(<i>p</i>-tol-yl)-2,3,3a,4-tetra-hydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo-[1,2-<i>a</i>]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-aceto-nitrile solvate: crystal structure, Hirshfeld analysis and DFT estimation of the energy of inter-molecular inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1590","1594","10.1107/S2056989017013937","","","0.71073","MoKα","","0.0716","0.0495","","","0.121","0.1344","","","","","","1.002","","","","has coordinates,has disorder","245896","2020-10-21","18:00:00",""
"2311454","8.1346","0.0003","8.2092","0.0003","17.234","0.0006","92.4728","0.0012","91.3245","0.0013","107.041","0.0012","1098.54","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(2-amino-4-methoxy-6-methylpyrimidinium) isophthalate","Bis(2-amino-4-methoxy-6-methylpyrimidinium) benzene-1,3-dicarboxylate","","- C20 H24 N6 O6 -","- C20 H24 N6 O6 -","- C40 H48 N12 O12 -","2","1","ZS2389","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri; Razak, Ibrahim Abdul","Supra-molecular patterns and Hirshfeld surface analysis in the crystal structure of bis-(2-amino-4-meth-oxy-6-methyl-pyrimidinium) isophthalate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1595","1598","10.1107/S2056989017013950","","","0.71073","MoKα","","0.0666","0.0471","","","0.129","0.1506","","","","","","1.093","","","","has coordinates","245897","2020-10-21","18:00:00",""
"2311455","7.942","0.002","9.453","0.003","10.226","0.002","67.706","0.015","72.228","0.016","86.41","0.02","675.2","0.3","93","","93","","","","","","","","","3","P -1","-P 1","2","","Diethyl 2-(3-oxo-1,3-dihydro-2-benzofuran-1-ylidene)propanedioate","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","HB7700","Tyumentsev, Mikhail S.; Foreman, Mark R StJ; Steenari, Britt-Marie; Slawin, Alexandra M. Z.","Crystal structure and identification of resonance forms of diethyl 2-(3-oxoiso-1,3-di-hydro-benzo-furan-1-yl-idene)malonate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1576","1579","10.1107/S2056989017013962","","","0.71075","MoKα","","0.0297","0.0279","","","0.0762","0.0776","","","","","","1.072","","","","has coordinates","245898","2020-10-21","18:00:00",""
"2311456","8.5797","0.0007","14.745","0.0013","16.772","0.0014","90","","90","","90","","2121.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3',8-Dibenzylidene-4a,5,6,7,8,8a-hexahydro-2'<i>H</i>-spiro[chromene-2,1'-cyclohexan]-2'-one","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","RK2438","Anis'kov, Alexander; Grinev, Vyacheslav; Klochkova, Irina","Crystal structure and features of 3',8-di-benzyl-idene-4a,5,6,7,8,8a-hexa-hydro-2'<i>H</i>-spiro-[chromene-2,1'-cyclo-hexa-n]-2'-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1622","1625","10.1107/S2056989017014165","","","0.71073","MoKα","","0.0763","0.0557","","","0.1196","0.1319","","","","","","1.047","","","","has coordinates","245899","2020-10-21","18:00:00",""
"2311457","21.292","0.003","10.1837","0.0012","24.867","0.004","90","","102.668","0.005","90","","5260.7","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-\ 1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}copper(II) acetonitrile monosolvate","","- C26 H27 Cu N5 O4 -","- C26 H27 Cu N5 O4 -","- C208 H216 Cu8 N40 O32 -","8","1","ZL2717","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0809","0.0594","","","0.1617","0.1778","","","","","","1.016","","","","has coordinates","245900","2020-10-21","18:00:00",""
"2311458","11.2595","0.0011","14.013","0.0015","16.5004","0.0018","81.873","0.004","77.126","0.004","80.348","0.004","2487.4","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl)-1-[pyridin-2-yl)methyl]-\ 1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}copper(II) ethanol hemisolvate","","- C50 H54 Cu2 N8 O9 -","- C50 H54 Cu2 N8 O9 -","- C100 H108 Cu4 N16 O18 -","2","1","","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0681","0.0447","","","0.1098","0.1213","","","","","","1.036","","","","has coordinates,has disorder","245900","2020-10-21","18:00:00",""
"2311459","14.2201","0.0012","9.9787","0.0007","19.4205","0.0013","90","","90.2","0.002","90","","2755.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-iodido-bis({2-[(benzylamino-κ<i>N</i>)methyl]phenyl-κ<i>C</i>^1^}palladium(II))","","- C28 H28 I2 N2 Pd2 -","- C28 H28 I2 N2 Pd2 -","- C112 H112 I8 N8 Pd8 -","4","1","WM5411","Bautista, Delia; Benitez-Benitez, Sergio J","Synthesis and crystal structure of [Pd{C<sub>6</sub>H<sub>4</sub>(CH<sub>2</sub>NHCH<sub>2</sub>Ph)-2-κ<sup>2</sup><i>C</i>,<i>N</i>}(μ-I)]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1612","1615","10.1107/S2056989017014281","","","0.71073","MoKα","","0.0366","0.031","","","0.0796","0.0836","","","","","","1.028","","","","has coordinates","245901","2020-10-21","18:00:00",""
"2311460","9.0982","0.0002","9.9556","0.0003","10.5071","0.0003","66.772","0.001","74.572","0.001","77.706","0.001","836.76","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-[(<i>Z</i>)-3-Methyl-2-({(<i>E</i>)-1-[(<i>R</i>*)-4-methylcyclohex-3-en-1-yl]ethylidene}hydrazinylidene)-4-oxothiazolidin-5-ylidene]acetate","","- C16 H21 N3 O3 S -","- C16 H21 N3 O3 S -","- C32 H42 N6 O6 S2 -","2","1","","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","Crystal structure of methyl (<i>Z</i>)-2-[(<i>Z</i>)-3-methyl-2-({(<i>E</i>)-1-[(<i>R</i>*)-4-methyl-cyclo-hex-3-en-1-yl]ethyl-idene}hydrazinyl-idene)-4-oxo-thia-zolidin-5-yl-idene]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1626","1629","10.1107/S2056989017014311","","","1.54178","CuKα","","0.0397","0.0376","","","0.1","0.1017","","","","","","1.06","","","","has coordinates","245902","2020-10-21","18:00:00",""
"2311461","33.6032","0.0008","6.0235","0.0001","28.0229","0.0007","90","","121.007","0.001","90","","4861.57","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammonium hexamethylenetetraminium bis(2-chloro-4-nitro-benzoate)","","- C20 H23 Cl2 N7 O8 -","- C20 H23 Cl2 N7 O8 -","- C160 H184 Cl16 N56 O64 -","8","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0604","0.0385","","","0.084","0.0926","","","","","","0.951","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311462","8.2777","0.0002","19.7942","0.0005","13.5331","0.0004","90","","90","","90","","2217.4","0.1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexamethylenetetraminium hydrogen bis(2-chloro-4-nitro-benzoate)","","- C20 H20 Cl2 N6 O8 -","- C20 H20 Cl2 N6 O8 -","- C80 H80 Cl8 N24 O32 -","4","0.5","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0389","0.0305","","","0.0796","0.0841","","","","","","1.057","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311463","5.9049","0.0001","21.933","0.0004","12.0194","0.0002","90","","103.445","0.001","90","","1514","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0269","0.0256","","","0.0651","0.0659","","","","","","1.067","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311464","12.0663","0.0002","19.5741","0.0004","6.6473","0.0001","90","","105.82","0.001","90","","1510.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0478","0.0392","","","0.1045","0.1093","","","","","","1.052","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311465","9.3594","0.0007","10.1143","0.0007","15.807","0.0012","106.704","0.005","92.432","0.007","106.777","0.005","1359.31","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(3-Cyanobenzylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (<i>E</i>)-<i>N</i>'-benzyl-idene-<i>N</i>-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71075","MoKα","","0.0477","0.0384","","","0.0989","0.1037","","","","","","1.043","","","","has coordinates","245904","2020-10-21","18:00:00",""
"2311466","7.2148","0.0005","8.8307","0.0005","24.112","0.0017","80.025","0.006","87.601","0.007","76.097","0.006","1468.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (<i>E</i>)-<i>N</i>'-benzyl-idene-<i>N</i>-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71073","MoKα","","0.0516","0.0443","","","0.1216","0.1266","","","","","","1.059","","","","has coordinates,has disorder","245904","2020-10-21","18:00:00",""
"2311467","22.418","0.005","11.501","0.002","25.094","0.005","90","","105.5","0.03","90","","6235","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κ<i>N</i>)bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 N5 O2 S4 Zn -","- C27 H36 N5 O2 S4 Zn -","- C216 H288 N40 O16 S32 Zn8 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κ<i>N</i>)bis-[<i>N</i>-(2-hydroxy-ethyl)-<i>N</i>-iso-propyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0773","0.0409","","","0.0812","0.0964","","","","","","0.996","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311468","22.7028","0.0012","11.595","0.0006","24.8196","0.0013","90","","103.385","0.001","90","","6356","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κ<i>N</i>)bis(<i>N</i>-2-hydroxyethyl-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 Cd N5 O2 S4 -","- C27 H36 Cd N5 O2 S4 -","- C216 H288 Cd8 N40 O16 S32 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κ<i>N</i>)bis-[<i>N</i>-(2-hydroxy-ethyl)-<i>N</i>-iso-propyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0217","0.0186","","","0.0474","0.0492","","","","","","0.993","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311469","21.802","0.015","4.597","0.003","12.742","0.009","90","","97.598","0.011","90","","1265.8","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzyl(benzylidene)azane oxide peroxosolvate","(<i>Z</i>)-<i>N</i>-Benzylidene-1-phenylmethanamine oxide hydrogen peroxide monosolvate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","ZS2391","Churakov, Andrei V.; Prikhodchenko, Petr V.; Medvedev, Alexander G.; Mikhaylov, Alexey A.","Crystal structure of (<i>Z</i>)-<i>N</i>-benzyl-idene-1-phenyl-methanamine oxide hydrogen peroxide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1666","1669","10.1107/S2056989017014499","","","0.71073","MoKα","","0.1624","0.0766","","","0.1867","0.2182","","","","","","1.046","","","","has coordinates","245906","2020-10-21","18:00:00",""
"2311470","14.5323","0.0004","23.3731","0.0006","19.1883","0.0004","90","","93.653","0.001","90","","6504.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ~2~-Bis(diphenylphosphanyl)hexane]bis[undecacarbonyl-<i>triangulo</i>-triruthenium(3 <i>Ru</i>—<i>Ru</i>)] hexane monosolvate","","- C58 H46 O22 P2 Ru6 -","- C58 H46 O22 P2 Ru6 -","- C232 H184 O88 P8 Ru24 -","4","1","HB7713","Shawkataly, Omar Bin; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.","[μ<sub>2</sub>-Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl-<i>triangulo</i>-triruthenium(3 <i>Ru</i>-<i>Ru</i>)] hexane monosolvate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1652","1657","10.1107/S2056989017014517","","","0.71073","MoKα","","0.0679","0.0431","","","0.0862","0.0969","","","","","","1.014","","","","has coordinates,has disorder","245907","2020-10-21","18:00:00",""
"2311471","7.475","0.0007","7.7067","0.0006","14.6585","0.0009","104.696","0.006","92.637","0.006","94.548","0.007","812.33","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","2","DX2001","Yahyazadeh, Mahdi; Jerz, Gerold; Selmar, Dirk; Winterhalter, Peter; Jones, Peter G.","Crystal structure of akuammicine, an indole alkaloid from <i>Catharanthus roseus</i>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1658","1661","10.1107/S2056989017014529","","","1.54184","CuKα","","0.0465","0.0408","","","0.0957","0.1008","","","","","","1.04","","","","has coordinates","245908","2020-10-21","18:00:00",""
"2311472","6.1368","0.0004","13.9799","0.0009","11.4609","0.0007","90","","100.193","0.002","90","","967.73","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Benzothiazol-2-yl)thiophene","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C44 H28 N4 S8 -","4","1","TX2001","Nguyen Ngoc, Linh; Vu Quoc, Trung; Duong Quoc, Hoan; Vu Quoc, Manh; Truong Minh, Luong; Thang Pham, Chien; Van Meervelt, Luc","Green synthesis and crystal structure of 3-(benzo-thia-zol-2-yl)thio-phene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1647","1651","10.1107/S2056989017014530","","","0.71073","MoKα","","0.0788","0.0762","","","0.1702","0.1715","","","","","","1.222","","","","has coordinates,has disorder","245909","2020-10-21","18:00:00",""
"2311473","15.7473","0.0014","7.3042","0.0005","22.7257","0.0019","90","","90","","90","","2613.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-{(1<i>E</i>)-[(4-Hydroxyphenyl)iminio]methyl}naphthalen-2-olate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","EX2001","Devika, Bhai R.; Girija, C. R.; Shalini, Suresh; Jotani, Mukesh M.; Tiekink, Edward R. T.","Zwitterionic 1-{(1<i>E</i>)-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1674","1678","10.1107/S205698901701458X","","","0.71073","MoKα","","0.0704","0.0407","","","0.0968","0.115","","","","","","1.043","","","","has coordinates","245910","2020-10-21","18:00:00",""
"2311474","10.319","0.0003","20.6009","0.0007","15.8756","0.0005","90","","91.64","0.003","90","","3373.46","0.18","100","1","100","1","","","","","","","","4","I 1 a 1","I -2ya","9","4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman","4-(1,3,3-Trimethyl-2,3-dihydro-1<i>H</i>-4-thiaphenanthren-1-yl)phenol","","- C22 H22 O S -","- C22 H22 O S -","- C176 H176 O8 S8 -","8","2","HB7711","Frampton, Christopher S.; McKendrick, Joseph J.; MacNicol, David D.","4-(4-Hy-droxy-phenyl)-2,2,4-trimethyl-7,8-benzo-thia-chroman, a fused-ring counterpart of <i>thia</i>-Dianin's compound.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1662","1665","10.1107/S2056989017014608","","","1.54184","CuKα","","0.0386","0.0369","","","0.102","0.103","","","","","","1.019","","","","has coordinates","245911","2020-10-21","18:00:00",""
"2311475","9.8233","0.0009","12.4719","0.0012","16.4432","0.0016","90","","100.184","0.007","90","","1982.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)","","- C13 H22 La N3 O9 -","- C13 H22 La N3 O9 -","- C52 H88 La4 N12 O36 -","4","1","VN2131","Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo","A new lanthanum(III) complex containing acetyl-acetone and 1<i>H</i>-imidazole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1739","1742","10.1107/S205698901701461X","","","0.71073","MoKα","","0.0173","0.016","","","0.0396","0.0402","","","","","","1.069","","","","has coordinates","245912","2020-10-21","18:00:00",""
"2311476","6.2464","0.0003","13.5674","0.0006","17.4584","0.0008","90","","100.128","0.001","90","","1456.5","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1<i>R</i>,5<i>S</i>)-<i>endo</i>-(8-Methyl-8-azoniabicyclo[3.2.1]oct-\ 3-yl)ammonium aquatrichloridonitratocopper(II)","","- C8 H20 Cl3 Cu N3 O4 -","- C8 H20 Cl3 Cu N3 O4 -","- C32 H80 Cl12 Cu4 N12 O16 -","4","1","CQ2021","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1<i>R</i>,5<i>S</i>)-<i>endo</i>-(8-methyl-8-azoniabi-cyclo-[3.2.1]oct-3-yl)ammonium aqua-tri-chlorido-nitratocopper(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1712","1715","10.1107/S2056989017014633","","","0.71073","MoKα","","0.0189","0.0179","","","0.0487","0.0492","","","","","","1.052","","","","has coordinates","245913","2020-10-21","18:00:00",""
"2311477","8.3515","0.0009","10.5778","0.0009","13.673","0.001","107.609","0.007","98.954","0.008","106.505","0.008","1064.57","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Methyl-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H23 N5 O6 S -","- C19 H23 N5 O6 S -","- C38 H46 N10 O12 S2 -","2","1","RZ5222","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structure of (<i>E</i>)-4-methyl-<i>N</i>-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1683","1686","10.1107/S2056989017014669","","","0.71073","MoKα","","0.0495","0.0389","","","0.1014","0.1079","","","","","","1.038","","","","has coordinates","245914","2020-10-21","18:00:00",""
"2311478","16.08","0.002","7.9997","0.0012","14.308","0.002","90","","114.094","0.002","90","","1680.2","0.4","125","2","125","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-Trimethylbenzoic anhydride","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","0.5","HB7710","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.","Crystal structure of 2,4,6-tri-methyl-benzoic anhydride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1735","1738","10.1107/S2056989017014670","","","0.71073","MoKα","","0.042","0.0373","","","0.1026","0.1069","","","","","","1.052","","","","has coordinates","245915","2020-10-21","18:00:00",""
"2311479","9.51872","0.00015","10.88545","0.00017","27.8353","0.0005","90","","93.8563","0.0015","90","","2877.64","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(dimethylamino)methyl]phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>'}\ [bromido/chlorido(0.30/0.70)]mercury(II)‒{2,6-bis[(dimethylamino)methyl]phenyl- κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>'}[bromido/chlorido(0.24/0.76)]mercury(II) (1/1)","","- C24 H38 Br0.54 Cl1.46 Hg2 N4 -","- C24 H38 Br0.538 Cl1.462 Hg2 N4 -","- C96 H152 Br2.152 Cl5.848 Hg8 N16 -","4","1","HG5496","Gupta, Anand; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of {2,6-bis-[(di-methyl-amino)-meth-yl]phenyl-κ<sup>3</sup><i>N</i>,<i>C</i><sup>1</sup>,<i>N</i>'}(bromido/chlorido)-mercury(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1679","1682","10.1107/S2056989017014682","","","1.54184","CuKα","","0.0388","0.0326","","","0.0711","0.0747","","","","","","1.056","","","","has coordinates,has disorder","245916","2020-10-21","18:00:00",""
"2311480","7.4829","0.0004","16.8867","0.0008","24.2649","0.0013","90","","98.18","0.003","90","","3035","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(perchlorato)bis[μ-(<i>E</i>)-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]dicopper(II) perchlorate","","- C28 H28 Cl2 Cu2 N4 O11 -","- C28 H28 Cl2 Cu2 N4 O11 -","- C112 H112 Cl8 Cu8 N16 O44 -","4","1","HG5497","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","Crystal structure of aqua-(perchlorato)bis-[μ-(<i>E</i>)-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenolato-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]dicopper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1708","1711","10.1107/S2056989017014694","","","0.71073","MoKα","","0.0524","0.0361","","","0.0773","0.084","","","","","","1.023","","","","has coordinates,has disorder","245917","2020-10-21","18:00:00",""
"2311481","8.216","0.0011","9.8605","0.0013","10.741","0.0014","95.999","0.002","90.181","0.002","113.774","0.002","790.99","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxy-2-propoxyanthraquinone acetonitrile monosolvate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C38 H34 N2 O10 -","2","1","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.0649","0.0517","","","0.14","0.153","","","","","","1.058","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311482","4.773","0.0009","44.272","0.008","13.807","0.003","90","","95.164","0.002","90","","2905.7","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Butoxy-1,4-dihydroxyanthraquinone","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.1202","0.0626","","","0.1419","0.1657","","","","","","1.04","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311483","5.1962","0.0001","10.7814","0.0003","24.0067","0.0006","90","","90.256","0.002","90","","1344.9","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","1","HG5498","Zukerman-Schpector, Julio; Dallasta Pedroso, Sofia; Sousa Madureira, Lucas; Weber Paixão, Márcio; Ali, Akbar; Tiekink, Edward R. T.","4-Benzyl-1-(4-nitro-phen-yl)-1<i>H</i>-1,2,3-triazole: crystal structure and Hirshfeld analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1716","1720","10.1107/S2056989017014748","","","0.71073","MoKα","","0.053","0.0397","","","0.0964","0.1057","","","","","","1.059","","","","has coordinates","245919","2020-10-21","18:00:00",""
"2311484","10.455","0.0013","17.662","0.002","7.9653","0.001","90","","108.16","0.003","90","","1397.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O'</i>)cobalt(II)]-μ-<i>N</i>-(pyridin-2-ylmethyl)pyridine-3-amine-κ^3^<i>N</i>,<i>N</i>':<i>N</i>'']","","- C11 H11 Co N5 O6 -","- C11 H11 Co N5 O6 -","- C44 H44 Co4 N20 O24 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a Co<sup>II</sup> coordination polymer with a dipyridyl ligand: <i>catena</i>-poly[[bis-(nitrato-κ<sup>2</sup><i>O</i>,<i>O</i>')cobalt(II)]-μ-<i>N</i>-(pyridin-2-ylmeth-yl)pyridine-3-amine-κ<sup>3</sup><i>N</i>,<i>N</i>':<i>N</i>''].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1696","1699","10.1107/S205698901701475X","","","0.71073","MoKα","","0.088","0.0405","","","0.0736","0.0868","","","","","","0.962","","","","has coordinates","245920","2020-10-21","18:00:00",""
"2311485","9.4","0.02","10.3","0.02","12.81","0.03","92.05","0.06","99.67","0.07","114.3","0.06","1107","4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-μ-cyanido-ethanolbis(2-iodopyrazine)digold(I)iron(II)]","","- C14 H12 Au2 Fe I2 N8 O -","- C14 H12 Au2 Fe I2 N8 O -","- C28 H24 Au4 Fe2 I4 N16 O2 -","2","1","XU5907","Fei, Bin; Kucheriv, Olesia I.; Tokmenko, Inna I.; Terebilenko, Kateryna V.; Gural'skiy, Il'ya A.","Crystal structure of poly[tetra-μ-cyanido-ethanol-bis(2-iodo-pyrazine)-digold(I)iron(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1755","1758","10.1107/S2056989017014785","","","0.71073","MoKα","","0.0484","0.0384","","","0.0746","0.0773","","","","","","0.923","","","","has coordinates","245921","2020-10-21","18:00:00",""
"2311486","9.366","0.005","15.203","0.005","23.07","0.005","90","","90","","90","","3285","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(4-4'-diammonio-diphenyl)sulfone tetra(nitrate) monohydrate","Bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate","","- C12 H15 N8 O8.5 S -","- C12 H15 N4 O8.5 S -","- C96 H120 N32 O68 S8 -","8","2","ZS2390","Benahsene, Amani Hind; Bendjeddou, Lamia; Merazig, Hocine","Crystal structure of bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1721","1725","10.1107/S2056989017014803","","","0.71073","MoKα","","0.1241","0.0632","","","0.1613","0.2008","","","","","","0.979","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311487","8.8963","0.0008","9.4701","0.0009","9.5839","0.0009","115.356","0.003","106.876","0.003","94.119","0.003","680.03","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","VII","3,5-Dibromo-4-cyanobenzoic acid‒anthracene (2/1)","","- C15 H8 Br2 N O2 -","- C15 H8 Br2 N O2 -","- C30 H16 Br4 N2 O4 -","2","1","LH5854","Noland, Wayland E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1743","1746","10.1107/S2056989017014815","","","1.54178","CuKα","","0.0277","0.0264","","","0.0668","0.0681","","","","","","1.055","","","","has coordinates","245923","2020-10-21","18:00:00",""
"2311488","26.404","0.005","7.9303","0.0016","30.72","0.006","90","","95.09","0.03","90","","6407","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>,3a<i>SR</i>,8<i>RS</i>,8a<i>RS</i>)-Methyl 5,6-dimethoxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetrahydro-3,8-(epiminomethano)cyclopenta[<i>a</i>]indene-2-carboxylate","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C300 H324 N12 O48 -","12","3","YK2110","Anh, Le Tuan; Titov, Alexander A.; Kobzev, Maxim S.; Voskressensky, Leonid G.; Varlamov, Alexey V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Unusual thermolysis of aza-cyclic allene under microwave conditions: crystal structure of (3<i>RS</i>,3a<i>SR</i>,8<i>RS</i>,8a<i>RS</i>)-methyl 5,6-dimeth-oxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetra-hydro-3,8-(epimino-methano)-cyclo-penta-[<i>a</i>]indene-2-carboxyl-ate from synchrotron X-ray diffraction.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1770","1773","10.1107/S2056989017014864","","","0.9699","synchrotron","","0.0759","0.0529","","","0.1291","0.1458","","","","","","1.068","","","","has coordinates","245924","2020-10-21","18:00:00",""
"2311489","20.8869","0.0016","22.4197","0.0013","9.6352","0.0006","90","","90","","90","","4512","0.5","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane‒4-iodophenol (1/2)","","- C20 H26 I2 N4 O2 -","- C20 H26 I2 N4 O2 -","- C160 H208 I16 N32 O16 -","8","0.5","SJ5537","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1<sup>3,8</sup>]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1692","1695","10.1107/S2056989017014943","","","0.71073","MoKα","","0.025","0.0246","","","0.0645","0.0647","","","","","","1.057","","","","has coordinates","245925","2020-10-21","18:00:00",""
"2311490","8.162","0.0007","8.8158","0.0008","9.5078","0.0008","98.531","0.002","109.218","0.002","92.062","0.002","636.22","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']]","","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","1","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a looped-chain Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[bis-(nitrato-κ<i>O</i>)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1700","1703","10.1107/S2056989017014980","","","0.71073","MoKα","","0.0409","0.0328","","","0.0834","0.0877","","","","","","1.037","","","","has coordinates","245926","2020-10-21","18:00:00",""
"2311491","9.3136","0.0003","12.4532","0.0005","16.1799","0.0006","70.584","0.003","89.453","0.003","74.996","0.003","1703.51","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-4-carbothioamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)cobalt(II) methanol monosolvate","","- C27 H28 Co N10 O S6 -","- C27 H28 Co N10 O S6 -","- C54 H56 Co2 N20 O2 S12 -","2","1","WM5421","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis-(pyridine-4-carbo-thio-amide-κ<i>N</i><sup>1</sup>)bis-(thio-cyanato-κ<i>N</i>)cobalt(II) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1786","1789","10.1107/S2056989017015055","","","0.71073","MoKα","","0.0398","0.0311","","","0.077","0.0795","","","","","","1.068","","","","has coordinates","245927","2020-10-21","18:00:00",""
"2311492","7.2739","0.0007","11.2713","0.0011","14.6909","0.0015","87.562","0.001","78.341","0.001","71.624","0.001","1119.16","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(3-Phenylisothiazol-5-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","2","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0349","0.0314","","","0.1015","0.106","","","","","","1.036","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311493","9.7202","0.0006","9.9723","0.0006","11.2165","0.0007","90","","90.399","0.001","90","","1087.22","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3-Phenylisothiazol-4-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","1","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0309","0.0297","","","0.0814","0.0831","","","","","","1.016","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311494","7.5701","0.0003","14.1261","0.0004","14.9018","0.0005","97.351","0.003","102.335","0.003","91.206","0.003","1542.03","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","Bis(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-κ<i>N</i>^2^){2,2'-[<i>N</i>-(phenylphosphorylmethyl-κ<i>O</i>)azanediyl]diacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)‒1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1)","","- C29 H27 Co N10 O6 P -","- C29 H27 Co N10 O6 P -","- C58 H54 Co2 N20 O12 P2 -","2","1","XU5906","Du, Chao-Jun; Zhao, Xiao-Na","Synthesis and crystal structure of bis-(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-κ<i>N</i><sup>2</sup>){2,2'-[<i>N</i>-(phenyl-phospho-r-yl-methyl-κ<i>O</i>)aza-nedi-yl]di-acetato-κ<sup>3</sup><i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1704","1707","10.1107/S2056989017015079","","","0.71073","MoKα","","0.0519","0.0379","","","0.0886","0.0971","","","","","","1.019","","","","has coordinates","245929","2020-10-21","18:00:00",""
"2311495","7.2782","0.0004","14.0016","0.0007","15.7852","0.0008","90","","99.546","0.001","90","","1586.34","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Acetyl-11-methoxy-5,6-dihydro[1,3]dioxolo[4,5-<i>g</i>]pyrrolo[2,1-<i>a</i>]isoquinolin-1-yl)propan-2-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","HB7707","Anh, Le Tuan; Titov, Alexander A.; Samavati, Reza; Voskressensky, Leonid G.; Varlamov, Alexey V.; Khrustalev, Victor N.","A new approach to alkaloid-like systems: synthesis and crystal structure of 1-(2-acetyl-11-meth-oxy-5,6-di-hydro-[1,3]dioxolo[4,5-<i>g</i>]pyrrolo-[2,1-<i>a</i>]isoquinolin-1-yl)propan-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1732","1734","10.1107/S2056989017015110","","","0.71073","MoKα","","0.064","0.0482","","","0.1228","0.133","","","","","","1.03","","","","has coordinates","245930","2020-10-21","18:00:00",""
"2311496","19.4627","0.0004","13.8181","0.0004","7.7343","0.0002","90","","90","","90","","2080.04","0.09","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[bis(1,2,3-benzotriazolium) [[tetrachloridobismuth(III)]-μ-chlorido] dihydrate]","","- C12 H16 Bi Cl5 N6 O2 -","- C12 H16 Bi Cl5 N6 O2 -","- C48 H64 Bi4 Cl20 N24 O8 -","4","0.5","","Boukoum, Chaima; Aloui, Zouhaier; Ferretti, Valeria; Abid, Sonia","Synthesis, crystal structure and Hirshfeld surface analysis of a polymeric bis-muthate(III) halide complex, (C<sub>6</sub>H<sub>6</sub>N<sub>3</sub>)<sub>2</sub>[BiCl<sub>5</sub>]·2H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1759","1763","10.1107/S2056989017015134","","","0.71073","MoKα","","0.0384","0.038","","","0.0953","0.0955","","","","","","1.111","","","","has coordinates","245931","2020-10-21","18:00:00",""
"2311497","7.2449","0.0011","9.6102","0.0014","17.196","0.003","98.58","0.002","94.54","0.002","103.409","0.002","1143.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-methylpropyl)disulfane-1,2-dicarbothioamide","","- C18 H36 N2 S4 -","- C18 H36 N2 S4 -","- C36 H72 N4 S8 -","2","1","LH5851","Fontenot, Patricia R.; Wang, Bo; Chen, Yueli; Donahue, James P.","Crystal structure of tetra-iso-butyl-thiuram di-sulfide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1764","1769","10.1107/S2056989017015158","","","0.71073","MoKα","","0.0716","0.0516","","","0.1347","0.1462","","","","","","1.071","","","","has coordinates","245932","2020-10-21","18:00:00",""
"2311498","12.3538","0.0006","18.7727","0.001","23.4056","0.0012","90","","90","","90","","5428.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Dimethylamino)pyridine‒4-methoxyphenylborane (1/1)","","- C14 H19 B N2 O -","- C14 H19 B N2 O -","- C224 H304 B16 N32 O16 -","16","2","LH5853","Shooter, Jesse; Allen, Caleb J.; Tinsley, Colby W. K.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1747","1750","10.1107/S2056989017015171","","","1.54178","CuKα","","0.0569","0.0467","","","0.1327","0.1443","","","","","","1.084","","","","has coordinates","245933","2020-10-21","18:00:00",""
"2311499","7.9407","0.0014","12.293","0.002","18.0684","0.0019","90","","90","","90","","1763.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Cadmium Pentaborate","Trisodium zinc cadmium pentaborate","","- B5 Cd0.09 Na3 O10 Zn0.91 -","- B5 Cd0.088 Na3 O10 Zn0.912 -","- B40 Cd0.704 Na24 O80 Zn7.296 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.0943","0.0374","","","0.0673","0.0723","","","","","","0.911","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311500","7.8931","0.0012","12.2555","0.0012","18.0874","0.0011","90","","90","","90","","1749.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Magnesium Pentaborate","Trisodium zinc magnesium pentaborate","","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B40 Mg1.24 Na24 O80 Zn6.76 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.109","0.0441","","","0.1047","0.113","","","","","","0.872","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311501","19","0.007","7.382","0.003","20.212","0.007","90","","114.271","0.005","90","","2584.3","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate","","- C24 H25.5 N6 O9.5 -","- C24 H25.5 N6 O9.5 -","- C96 H102 N24 O38 -","4","1","PK2607","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structure of 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1793","1796","10.1107/S2056989017015328","","","0.71073","MoKα","","0.1016","0.0897","","","0.185","0.1908","","","","","","1.168","","","","has coordinates,has disorder","245936","2020-10-21","18:00:00",""
"2311502","6.5825","0.0005","9.0574","0.0012","13.9842","0.0012","74.214","0.001","84.69","0.002","82.303","0.001","793.69","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-3-carboxybenzoato)[μ~2~-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)]","","- C17 H11 Co N7 O4 -","- C17 H11 Co N7 O4 -","- C34 H22 Co2 N14 O8 -","2","1","KQ2016","Du, Chao-Jun; Zhao, Xiao-Na; Chen, Bao-Yong","Synthesis and crystal structure of a two-dimensional Co<sup>II</sup> coordination polymer: poly[(μ<sub>3</sub>-3-carb-oxy-benzoato)[μ<sub>2</sub>-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1779","1781","10.1107/S205698901701533X","","","0.71073","MoKα","","0.1049","0.0608","","","0.0895","0.1126","","","","","","1.093","","","","has coordinates","245937","2020-10-21","18:00:00",""
"2311503","8.5922","0.0003","9.1285","0.0003","21.5629","0.0006","90","","96.754","0.001","90","","1679.53","0.09","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[bis{μ~2~-1-[2-(cyclohexylsulfanyl)ethyl]pyridin-2(1<i>H</i>)-one}tetra-μ~3~-iodidotetracopper(I)]","","- C26 H38 Cu4 I4 N2 O2 S2 -","- C26 H38 Cu4 I4 N2 O2 S2 -","- C52 H76 Cu8 I8 N4 O4 S4 -","2","1","","Park, Hyunjin; Kim, Jineun; Im, Hansu; Kim, Tae Ho","A two-dimensional copper(I) coordination polymer based on 1-[2-(cyclo-hexyl-sulfan-yl)eth-yl]pyridin-2(1<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1782","1785","10.1107/S2056989017015377","","","0.71073","MoKα","","0.0323","0.0313","","","0.0714","0.0722","","","","","","1.101","","","","has coordinates","245938","2020-10-21","18:00:00",""
"2311504","10.3615","0.0003","13.8916","0.0006","20.2121","0.0008","90","","90","","90","","2909.29","0.19","295","2","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-1-(3-phenoxypropyl)pyridinium bromide","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C120 H144 Br8 N8 O8 -","8","1","","Said, Musa A.; Aouad, Mohamed R.; Hughes, David L.; Almehmadi, Meshal A.; Messali, Mouslim","Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1831","1834","10.1107/S2056989017015481","","","0.71073","Mo-Kα","","0.0561","0.045","","","0.0827","0.0865","","","","","","1.199","","","","has coordinates","245939","2020-10-21","18:00:00",""
"2311505","8.8","0.0018","9.661","0.0019","15.369","0.003","75.68","0.03","85.44","0.03","83.68","0.03","1256.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 3,3'-[(2-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C58 H50 F2 N4 O8 -","2","1","XU5908","Lu, Xin-Hua; Sun, Hong-Shun; Cai, Yuan; Chen, Lu-Lu; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2-fluoro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1790","1792","10.1107/S2056989017015523","","","0.71073","MoKα","","0.1222","0.0689","","","0.1622","0.1859","","","","","","1","","","","has coordinates","245940","2020-10-21","18:00:00",""
"2311506","13.6751","0.0006","16.0733","0.0007","19.5889","0.0009","98.6919","0.0018","109.424","0.0016","90.5484","0.0016","4005.8","0.3","105","2","105","2","","","","","","","","3","P -1","-P 1","2","","(η^5^,η^1^-Adamantylidenepentafulvene)bis(η^5^-cyclopentadienyl)zirconium(IV)‒toluene‒<i>n</i>-hexane (8/1/1)","","- C26.62 H30.75 Zr -","- C26.625 H30.75 Zr -","- C213 H246 Zr8 -","8","4","WM5418","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the formal 20 electron zirconocene penta-fulvene complex Cp<sub>2</sub>Zr(η<sup>5</sup>,η<sup>1</sup>-adamantyl-idene-penta-fulvene):toluene:<i>n</i>-hexane = 1:0.125:0.125.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1823","1826","10.1107/S2056989017015560","","","0.71073","MoKα","","0.0767","0.0439","","","0.0957","0.11","","","","","","1.013","","","","has coordinates,has disorder","245941","2020-10-21","18:00:00",""
"2311507","10.914","0.0004","12.1104","0.0005","12.2394","0.0005","95.62","0.002","116.098","0.002","114.545","0.002","1241.05","0.1","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","Bis(μ~2~-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate","","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","1","0.5","LH5856","Rusanova, Julia A.; Bederak, Dmytro","Crystal structure of bis(μ<sub>2</sub>-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1797","1800","10.1107/S2056989017015584","","","0.71073","MoKα","","0.1343","0.0588","","","0.1083","0.1349","","","","","","0.971","","","","has coordinates","245942","2020-10-21","18:00:00",""
"2311508","8.8965","0.0002","18.0995","0.0004","19.0103","0.0006","90","","94.572","0.002","90","","3051.34","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[aqua{μ~4~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylidene)]bis(4-oxo-4<i>H</i>-pyran-3-olato)}perchloratocobaltbarium] perchlorate]","","- C22 H30 Ba Cl2 Co N4 O15 -","- C22 H30 Ba Cl2 Co N4 O15 -","- C88 H120 Ba4 Cl8 Co4 N16 O60 -","4","1","BQ2404","Paoli, Paola; Macedi, Eleonora; Rossi, Patrizia; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of the Ba<sup>II</sup>-based Co<sup>II</sup>-containing one-dimensional coordination polymer poly[[aqua{μ<sub>4</sub>-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(methylidene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}-perchloratocobaltbarium] perchlorate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1806","1811","10.1107/S2056989017015638","","","0.71073","MoKα","","0.062","0.0411","","","0.0894","0.1031","","","","","","1.057","","","","has coordinates,has disorder","245943","2020-10-21","18:00:00",""
"2311509","12.19","0.006","5.972","0.003","38.17","0.02","90","","98.013","0.01","90","","2752","2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(2,4-difluorophenyl)prop-2-en-1-one]","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C144 H84 F24 O12 -","6","1.5","HB7696","Kwong, Huey Chong; Sim, Aijia; Chidan Kumar, C. S.; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(2,4-di-fluoro-phen-yl)prop-2-en-1-one].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1812","1816","10.1107/S205698901701564X","","","0.71073","MoKα","","0.1193","0.0763","","","0.1874","0.2329","","","","","","1.088","","","","has coordinates","245944","2020-10-21","18:00:00",""
"2311510","18.31","0.008","5.2661","0.001","9.2792","0.001","90","","96.07","0.004","90","","889.7","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,2R)-(+)-2-Amino-1,2-diphenylethanol, L-(S)-Aspartic acid, monohydrate","(1<i>S</i>,2<i>R</i>)-2-Hydroxy-1,2-diphenylethan-1-aminium (<i>S</i>)-2-azaniumylbutanedioate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","SU5398","Fujii, Isao","Crystal structure of (1<i>S</i>,2<i>R</i>)-2-hy-droxy-1,2-di-phenyl-ethan-1-aminium (<i>S</i>)-2-aza-niumyl-butane-dioate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1827","1830","10.1107/S2056989017015729","","","1.54178","CuKα","","0.0316","0.0282","","","0.0759","0.0788","","","","","","1.059","","","","has coordinates","245945","2020-10-21","18:00:00",""
"2311511","9.776","0.002","15.939","0.003","17.581","0.004","90","","101.94","0.03","90","","2680.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 3,3'-[(2,4-dichlorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H24 Cl2 N2 O4 -","- C29 H24 Cl2 N2 O4 -","- C116 H96 Cl8 N8 O16 -","4","1","SJ5539","Li, Yu-Long; Sun, Hong-Shun; Jiang, Hong; Chen, Yu-Liang; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2,4-di-chloro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1817","1819","10.1107/S2056989017015730","","","0.71073","MoKα","","0.1192","0.0666","","","0.1653","0.1918","","","","","","1","","","","has coordinates","245946","2020-10-21","18:00:00",""
"2311512","9.9916","0.0005","11.7805","0.0006","11.9776","0.0006","88.809","0.004","79.159","0.004","67.245","0.005","1274.8","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[6-Amino-5-(benzo[<i>d</i>]thiazol-2-yl)-3-cyano-4-methylsulfanyl-2-oxo-1,2-dihydropyridin-1-yl]-4-methylbenzenesulfonamide dimethylformamide monosolvate","","- C24 H24 N6 O4 S3 -","- C24 H24 N6 O4 S3 -","- C48 H48 N12 O8 S6 -","2","1","HG5500","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.","Crystal structure of <i>N</i>-[6-amino-5-(benzo[<i>d</i>]thia-zol-2-yl)-3-cyano-4-methyl-sulfanyl-2-oxo-1,2-di-hydro-pyridin-1-yl]-4-methyl-benzene-sulfonamide di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1820","1822","10.1107/S2056989017015778","","","0.71073","MoKα","","0.0401","0.033","","","0.0785","0.0824","","","","","","1.04","","","","has coordinates","245947","2020-10-21","18:00:00",""
"2311513","13.856","0.001","14.909","0.002","16.357","0.002","63.224","0.002","73.137","0.002","88.093","0.002","2868.2","0.6","190","2","190","2","","","","","","","","8","P -1","-P 1","2","","Nitrosonium tetrafluoridoborate–5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-κ^2^<i>O</i>,<i>O</i>)resorcin(4)arene–dichloromethane (1/1/1)","","- C57 H46 B Cl2 F4 N O13 P4 -","- C56 H44 B F4 N O13 P4 -","- C112 H88 B2 F8 N2 O26 P8 -","2","1","","Pinalli, Roberta; Massera, Chiara","Nitro-sonium complexation by the tetra-phospho-nate cavitand 5,11,17,23-tetra-methyl-6,10:12,16:18,22:24,4-tetra-kis-(phenyl-phospho-nato-κ<sup>2</sup><i>O</i>,<i>O</i>)resorcin(4)arene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1801","1805","10.1107/S2056989017015857","","","0.71069","MoKα","","0.067","0.0417","","","0.1188","0.1276","","","","","","1.003","","","","has coordinates,has disorder","279105","2022-11-08","14:41:09",""
"2311514","9.7298","0.0006","11.8643","0.0005","14.4933","0.0007","90","","90","","90","","1673.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1S,4S-2,5-diazabicyclo[2.2.1]heptane dihydrobromode","(1<i>S</i>,4<i>S</i>)-2,5-Diazoniabicyclo[2.2.1]heptane dibromide","","- C5 H12 Br2 N2 -","- C5 H12 Br2 N2 -","- C40 H96 Br16 N16 -","8","2","LH5858","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1<i>S</i>,4<i>S</i>)-2,5-diazo-niabi-cyclo[2.2.1]heptane dibromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1861","1865","10.1107/S2056989017015870","","","0.71073","MoKα","","0.0147","0.0143","","","0.0351","0.0353","","","","","","1.023","","","","has coordinates","245949","2020-10-21","18:00:00",""
"2311515","7.2599","0.0005","10.5614","0.0005","16.7351","0.0008","78.863","0.004","87.472","0.005","85.238","0.005","1254.13","0.12","295","1","295","1","","","","","","","","4","P -1","-P 1","2","<i>r</i>-1,<i>c</i>-2-Dibenzoyl-<i>t</i>-3,<i>t</i>-4-bis(2-nitrophenyl)cyclobutane","[3,4-Bis(2-nitrophenyl)cyclobutane-1,2-diyl]bis[(phenyl)methanone]","","- C30 H22 N2 O6 -","- C30 H22 N2 O6 -","- C60 H44 N4 O12 -","2","1","EX2002","Velasco Ximello, Manuel; Bernès, Sylvain; Pérez-Benítez, Aarón; Hernández Pareja, Ulises; Mendoza, Angel; Juárez Posadas, Jorge R; Vázquez Bravo, Jaime","Crystal structure of <i>r</i>-1,<i>c</i>-2-dibenzoyl-<i>t</i>-3,<i>t</i>-4-bis-(2-nitro-phen-yl)cyclo-butane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1866","1870","10.1107/S2056989017015936","","","0.71073","MoKα","","0.0881","0.0533","","","0.1348","0.1642","","","","","","1.037","","","","has coordinates,has disorder","245950","2020-10-21","18:00:00",""
"2311516","4.7354","0.0003","25.9882","0.0017","11.0671","0.0009","90","","102.268","0.007","90","","1330.87","0.17","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-propyloxy-9,10-anthraquinone","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.079","0.0471","","","0.1087","0.1227","","","","","","1.024","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311517","11.773","0.0012","15.514","0.002","8.9609","0.001","90","","111.153","0.008","90","","1526.4","0.3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Acetyloxy-4-propyloxy-9,10-anthraquinone","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.1579","0.0701","","","0.1454","0.1803","","","","","","0.961","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311518","14.9527","0.0005","5.5152","0.0002","16.6918","0.0005","90","","114.739","0.002","90","","1250.19","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-{3-[(5-Fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone","","- C15 H12 F N O2 -","- C15 H12 F N O2 -","- C60 H48 F4 N4 O8 -","4","1","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54178","CuKα","","0.0677","0.0463","","","0.1076","0.1216","","","","","","1.035","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311519","19.1904","0.0004","5.33856","0.00012","26.5678","0.0006","90","","90","","90","","2721.85","0.1","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-{3-[(2-Hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54184","CuKα","","0.0761","0.0476","","","0.0997","0.1132","","","","","","1.021","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311520","15.1028","0.001","3.6851","0.0003","17.5689","0.0013","90","","101.871","0.003","90","","956.89","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-carboxypyridinium) chloranilate dihydrate‒bis(pyridinium-2-carboxylate) chloranilic acid dihydrate (1/1)","","- C18 H16 Cl2 N2 O10 -","- C18 H16 Cl2 N2 O10 -","- C36 H32 Cl4 N4 O20 -","2","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0332","0.0297","","","0.0775","0.0793","","","","","","1.108","","","","has coordinates,has disorder","245953","2020-10-21","18:00:00",""
"2311521","4.4745","0.0002","10.5448","0.0008","13.6111","0.0006","96.652","0.004","94.109","0.003","99.009","0.004","627.37","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","chloranilic acid‒2-carboxyquinoline (1/2) dihydrate","","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","1","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0722","0.0524","","","0.1388","0.1493","","","","","","1.005","","","","has coordinates","245953","2020-10-21","18:00:00",""
"2311522","11.628","0.011","9.057","0.006","11.525","0.012","90","","101.13","0.08","90","","1190.9","1.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-(4-Methoxyphenyl)-2-(4-oxothiazolidin-2-ylidene)acetamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C48 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","1.54184","CuKα","","0.0559","0.0429","","","0.1023","0.1045","","","","","","1.01","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311523","9.974","0.0004","11.2175","0.0004","9.3155","0.0004","90","","100.389","0.004","90","","1025.16","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-[2-(Morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C36 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","0.7107","MoKα","","0.0617","0.0461","","","0.1374","0.1543","","","","","","1.005","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311524","6.9341","0.0008","8.9597","0.0013","12.303","0.0016","110.217","0.005","91.06","0.005","93.28","0.005","715.49","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[di-μ~3~-acetato-tetraaquabis(μ~2~-cyclohexane-1,4-dicarboxylato)dilanthanum(III)] dihydrate]","","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","1","0.5","VN2132","Drisya, R.; Mol, U. S. Soumya; Chandran, P. R. Satheesh; Sithambaresan, M.; Sudarsankumar, M. R.","Crystal structure of poly[[di-μ<sub>3</sub>-acetato-tetra-aqua-bis-(μ<sub>2</sub>-cyclo-hexane-1,4-di-carboxyl-ato)dilanth-an-um(III)] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1926","1930","10.1107/S2056989017016103","","","0.71073","MoKα","","0.0733","0.041","","","0.1134","0.1455","","","","","","1.068","","","","has coordinates","245955","2020-10-21","18:00:00",""
"2311525","5.7981","0.0012","7.0938","0.0014","9.817","0.002","109.75","0.03","100.42","0.03","98.4","0.03","364.28","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Barium dimanganese(II) bis(arsenate)","","- As2 Ba Mn2 O8 -","- As2 Ba Mn2 O8 -","- As4 Ba2 Mn4 O16 -","2","1","WM5420","Alcantar, Salvador; Ledbetter, Hollis R.; Ranmohotti, Kulugammana G. S.","Crystal structure of BaMn<sub>2</sub>(AsO<sub>4</sub>)<sub>2</sub> containing discrete [Mn<sub>4</sub>O<sub>18</sub>]<sup>28-</sup> units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1855","1860","10.1107/S2056989017016152","","","0.71073","MoKα","","0.0407","0.0385","","","0.0951","0.0968","","","","","","1.144","","","","has coordinates","245956","2020-10-21","18:00:00",""
"2311526","11.594","0.004","17.072","0.005","4.4739","0.0012","90","","90","","90","","885.5","0.5","150.01","","150.01","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Poly[[μ~3~-(<i>S</i>)-2-amino-3-hydroxypropanoato]-<i>cis</i>-di-μ-chlorido-caesiumpalladium(II)]","","- C3 H6 Cl2 Cs N O3 Pd -","- C3 H6 Cl2 Cs N O3 Pd -","- C12 H24 Cl8 Cs4 N4 O12 Pd4 -","4","1","IM2483","Bhadbhade, Mohan Madhav; Charlson, Alexander J.","Crystal structure of poly[[μ<sub>3</sub>-(<i>S</i>)-2-amino-3-hydroxy-propano-ato]-<i>cis</i>-di-μ-chlorido-caesium-palladium(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1898","1902","10.1107/S2056989017016164","","","0.71073","MoKα","","0.0642","0.0387","","","0.0655","0.0758","","","","","","0.834","","","","has coordinates","245957","2020-10-21","18:00:00",""
"2311527","10.4724","0.0011","13.1128","0.0014","10.8914","0.0012","90","","100.117","0.0018","90","","1472.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']","","- C12 H12 Cl2 Hg N2 S -","- C12 H12 Cl2 Hg N2 S -","- C48 H48 Cl8 Hg4 N8 S4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","A one-dimensional Hg<sup>II</sup> coordination polymer based on bis-(pyridin-3-ylmeth-yl)sulfane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1871","1874","10.1107/S205698901701619X","","","0.71073","MoKα","","0.0536","0.0328","","","0.0694","0.0761","","","","","","1.027","","","","has coordinates","245958","2020-10-21","18:00:00",""
"2311528","5.2171","0.0009","8.9249","0.0016","15.309","0.003","105.289","0.008","94.523","0.008","93.295","0.009","683.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Aqua(1<i>H</i>-pyrazole-κ<i>N</i>^2^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) dihydrate","","- C10 H13 Cu N3 O7 -","- C10 H13 Cu N3 O7 -","- C20 H26 Cu2 N6 O14 -","2","1","IS5480","Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of aqua-(1<i>H</i>-pyrazole-κ<i>N</i><sup>2</sup>)(pyridine-2,6-di-carboxyl-ato-κ<sup>3</sup><i>O</i><sup>2</sup>,<i>N</i>,<i>O</i><sup>6</sup>)copper(II) dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1875","1877","10.1107/S2056989017016231","","","0.71073","MoKα","","0.0372","0.0349","","","0.0874","0.0883","","","","","","1.153","","","","has coordinates","245959","2020-10-21","18:00:00",""
"2311529","14.3999","0.0005","7.0388","0.0003","19.9725","0.0007","90","","91.727","0.003","90","","2023.45","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Methylphenyl)ethoxycarbothioamide","","- C10 H13 N O S -","- C10 H13 N O S -","- C80 H104 N8 O8 S8 -","8","2","HB7715","Jotani, Mukesh M.; Yeo, Chien Ing; Tiekink, Edward R. T.","A new monoclinic polymorph of <i>N</i>-(3-methyl-phen-yl)eth-oxy-carbo-thio-amide: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1889","1897","10.1107/S2056989017016280","","","0.71073","MoKα","","0.0666","0.0473","","","0.1147","0.1247","","","","","","1.034","","","","has coordinates","245960","2020-10-21","18:00:00",""
"2311530","12.8126","0.0007","7.0224","0.0003","12.8169","0.0006","90","","117.207","0.003","90","","1025.61","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(1<i>E</i>)-({1-(3-Chlorophenyl)-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C46 H42 Cl2 N4 O4 -","2","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1<i>E</i>)-({1-(3-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1<i>E</i>)-({1-(4-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.1121","0.0439","","","0.0717","0.0873","","","","","","0.982","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311531","6.7923","0.0002","20.8261","0.0008","14.1744","0.0006","90","","92.435","0.002","90","","2003.26","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1<i>E</i>)-({1-(4-Chlorophenyl)-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1<i>E</i>)-({1-(3-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1<i>E</i>)-({1-(4-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.0951","0.0471","","","0.11","0.1402","","","","","","1.076","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311532","20.9091","0.0015","15.7423","0.0007","19.8734","0.0016","90","","112.451","0.006","90","","6045.7","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetra-<i>n</i>-butylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C34 H76 Cl16 N2 Si5 -","- C34 H76 Cl16 N2 Si5 -","- C136 H304 Cl64 N8 Si20 -","4","0.5","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.1298","0.1033","","","0.1884","0.199","","","","","","1.153","","","","has coordinates","245962","2020-10-21","18:00:00",""
"2311533","10.3596","0.0004","13.9612","0.0005","16.0205","0.0006","89.959","0.003","72.484","0.003","79.534","0.003","2169.29","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetraethylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C18 H44 Cl16 N2 Si5 -","- C18 H44 Cl16 N2 Si5 -","- C36 H88 Cl32 N4 Si10 -","2","1","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.0525","0.0483","","","0.1268","0.1308","","","","","","1.078","","","","has coordinates,has disorder","245962","2020-10-21","18:00:00",""
"2311534","14.6731","0.0005","14.6731","0.0005","3.9727","0.0001","90","","90","","90","","855.32","0.05","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RCN","3,5-Dibromo-4-methylbenzonitrile","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","LH5859","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","1.54178","CuKα","","0.0201","0.0201","","","0.0571","0.0571","","","","","","1.27","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311535","14.69","0.005","14.69","0.005","4.0703","0.0015","90","","90","","90","","878.4","0.5","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RNC","2,6-Dibromo-4-methylphenyl isocyanide","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","0.71073","MoKα","","0.0267","0.0232","","","0.05","0.0508","","","","","","1.141","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311536","21.577","0.011","3.5533","0.0018","16.096","0.008","90","","90","","90","","1234.1","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1<i>H</i>-Imidazol-3-ium 2,4,6-trinitrophenolate monohydrate","","- C9 H9 N5 O8 -","- C9 H9 N5 O8 -","- C36 H36 N20 O32 -","4","1","LH5861","Liu, Ling-Li","Stoichiometric and polymorphic salt of imidazolium picrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1885","1888","10.1107/S2056989017016401","","","0.71073","MoKα","","0.0429","0.0346","","","0.0817","0.0863","","","","","","1.036","","","","has coordinates","245964","2020-10-21","18:00:00",""
"2311537","11.419","0.002","13.363","0.002","12.119","0.002","90","","106.226","0.004","90","","1775.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dichloridobis(methanol-κ<i>O</i>)cobalt(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']","","- C14 H20 Cl2 Co N2 O2 S -","- C14 H20 Cl2 Co N2 O2 S -","- C56 H80 Cl8 Co4 N8 O8 S4 -","4","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a zigzag Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[di-chlorido-bis-(methanol-κ<i>O</i>)cobalt(II)]-μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>'].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1882","1884","10.1107/S2056989017016449","","","0.71073","MoKα","","0.1278","0.0467","","","0.0772","0.0951","","","","","","0.919","","","","has coordinates","245965","2020-10-21","18:00:00",""
"2311538","19.5319","0.0004","26.6614","0.0004","19.8681","0.0003","90","","90","","90","","10346.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(3,5-diisopropyl-1<i>H</i>-pyrazole)[hydrotris(3,5-diisopropylpyrazolyl)borato]iodidoeuropium(II)","","- C45 H78 B Eu I N10 -","- C45 H78 B Eu I N10 -","- C360 H624 B8 Eu8 I8 N80 -","8","1","ZL2718","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.0455","0.0313","","","0.0592","0.0631","","","","","","1.04","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311539","25.7646","0.0011","11.2134","0.0003","15.0968","0.0007","90","","118.792","0.003","90","","3822.4","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-4,8-Bis(3,5-diisopropylpyrazoly-1-yl)-1,3,5,7-tetraisopropylpyrazabole","","- C36 H62 B2 N8 -","- C36 H62 B2 N8 -","- C144 H248 B8 N32 -","4","0.5","","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.065","0.0435","","","0.096","0.1038","","","","","","1.021","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311540","8.7271","0.0006","11.6521","0.0004","12.54","0.0008","90","","96.539","0.002","90","","1266.88","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Buthalital (Bayinal, Baytinal, Thialbutal, Transithal, Ulbreval)","5-(2-Methylpropyl)-5-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C44 H64 N8 O8 S4 -","4","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0736","0.0452","","","0.0968","0.1076","","","","","","1.042","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311541","15.1873","0.0002","9.092","0.0001","20.8684","0.0003","90","","96.083","0.001","90","","2865.34","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Methitural (Neraval, Thiogenal)","5-(1-Methylbutyl)-5-[2-(methylsulfanyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C96 H160 N16 O16 S16 -","8","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0417","0.0384","","","0.0818","0.0836","","","","","","1.142","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311542","8.8803","0.0007","10.0871","0.0008","11.7586","0.001","97.298","0.002","98.464","0.002","98.234","0.002","1019.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-1-Phenyl-8-(pyridin-2-ylmethyl)dibenzo[1,2-<i>c</i>:2,1-<i>h</i>]-2,14-dioxa-8-aza-1-borabicyclo[4.4.0]deca-3,8-diene","","- C26 H23 B N2 O2 -","- C26 H23 B N2 O2 -","- C52 H46 B2 N4 O4 -","2","1","RZ5224","Ledesma, Gabriela; Signorella, Sandra; Back, Davi; Schulz Lang, Ernesto","Crystal structure of <i>cis</i>-1-phenyl-8-(pyridin-2-ylmeth-yl)dibenzo[1,2-<i>c</i>:2,1-<i>h</i>]-2,14-dioxa-8-aza-1-borabi-cyclo-[4.4.0]deca-3,8-diene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1917","1920","10.1107/S2056989017016553","","","0.71073","MoKα","","0.1478","0.0591","","","","0.1153","","","","","","0.924","","","","has coordinates","245968","2020-10-21","18:00:00",""
"2311543","13.5411","0.0004","7.7421","0.0002","19.2457","0.0005","90","","130.493","0.002","90","","1534.4","0.09","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1<i>H</i>-indazol-7-aminium chloride","","- C15 H19 Cl N4 O -","- C15 H19 Cl N4 O -","- C60 H76 Cl4 N16 O4 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1<i>H</i>-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0623","0.0427","","","0.093","0.1012","","","","","","1.032","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311544","10.1855","0.0002","7.4951","0.0002","20.7961","0.0004","90","","100.545","0.001","90","","1560.79","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1<i>H</i>-indazol-7-aminium chloride monohydrate","","- C15 H21 Cl N4 O2 -","- C15 H21 Cl N4 O2 -","- C60 H84 Cl4 N16 O8 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1<i>H</i>-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0529","0.0387","","","0.0941","0.1022","","","","","","1.059","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311545","8.9799","0.0004","8.9799","0.0004","32.555","0.003","90","","90","","90","","2625.2","0.3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","Bis{μ~2~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4<i>H</i>-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate","","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C88 H120 Ca2 Cl4 Co4 N16 O42.72 -","2","0.25","XI2003","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of bis-{μ<sub>2</sub>-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1959","1965","10.1107/S2056989017016693","","","0.71073","MoKα","","0.0888","0.0427","","","0.073","0.0814","","","","","","0.858","","","","has coordinates","245970","2020-10-21","18:00:00",""
"2311546","12.5753","0.0002","14.4054","0.0003","14.8668","0.0003","117.068","0.0005","101.934","0.0006","97.2102","0.0006","2270.58","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>mer</i>-Tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κ<i>N</i>]pyridin-4-yl-κ<i>C</i>^4^}iridium(III) dichloromethane hemisolvate <i>n</i>-hexane hemisolvate","","- C54.5 H41 Cl F6 Ir N6 -","- C54.5 H41 Cl F6 Ir N6 -","- C109 H82 Cl2 F12 Ir2 N12 -","2","1","","Kang, Youngjin; Park, Ki-Min; Kim, Jinho","Crystal structure of <i>mer</i>-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κ<i>N</i>]pyridin-4-yl-κ<i>C</i><sup>4</sup>}iridium(III) di-chloro-methane hemisolvate <i>n</i>-hexane hemisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1952","1955","10.1107/S2056989017016759","","","0.71073","MoKα","","0.0342","0.0302","","","0.0778","0.0801","","","","","","1.038","","","","has coordinates","245971","2020-10-21","18:00:00",""
"2311547","12.9597","0.0012","31.548","0.003","3.8219","0.0004","90","","90","","90","","1562.6","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","SU5407","Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.","Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1942","1945","10.1107/S2056989017016772","","","0.71073","MoKα","","0.0476","0.0395","","","0.0891","0.0925","","","","","","1.164","","","","has coordinates","245972","2020-10-21","18:00:00",""
"2311548","6.689","0.005","13.809","0.005","10.62","0.005","90","","101.271","0.005","90","","962","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2':6',2''-Terpyridine-1,1',1''-triium tetrachloridonickelate(II) chloride","","","- C15 H14 Cl5 N3 Ni -","- C15 H14 Cl5 N3 Ni -","- C30 H28 Cl10 N6 Ni2 -","2","1","ZS2392","Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Daran, Jean Claude","Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1937","1941","10.1107/S2056989017016784","","","0.71073","MoKα","","0.0899","0.0585","","","0.1309","0.1495","","","","","","1.148","","","","has coordinates","245973","2020-10-21","18:00:00",""
"2311549","7.867","0.001","10.34","0.001","10.997","0.002","84.96","0.01","75.46","0.01","81.13","0.01","854.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(2-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0873","0.0624","","","0.1174","0.1312","","","","","","1.293","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311550","7.984","0.001","10.32","0.002","11.081","0.002","85.17","0.01","74.89","0.01","81.14","0.01","870","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(2-Methylbenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C34 H38 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0941","0.0533","","","0.1195","0.1411","","","","","","1.048","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311551","8.006","0.001","10.229","0.001","11.181","0.002","83.76","0.01","72.86","0.01","82.13","0.01","864.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(2-Nitrobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 N4 O5 S -","- C16 H16 N4 O5 S -","- C32 H32 N8 O10 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0897","0.0566","","","0.1151","0.131","","","","","","1.155","","","","has coordinates,has disorder","245974","2020-10-21","18:00:00",""
"2311552","21.7698","0.0004","10.7768","0.0002","22.2272","0.0004","90","","90","","90","","5214.7","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis(pyridine-3-carbonitrile-κ<i>N</i>^1^)trizinc(II)","","- C54 H38 N4 O12 Zn3 -","- C54 H38 N4 O12 Zn3 -","- C216 H152 N16 O48 Zn12 -","4","0.5","NK2240","Hökelek, Tuncer; Özbek, Elif; Sertçelik, Mustafa; Şahin Yenice, Çiğdem; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of hexa-kis-(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(pyridine-3-carbo-nitrile-κ<i>N</i><sup>1</sup>)trizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1966","1970","10.1107/S2056989017016899","","","0.71073","MoKα","","0.0836","0.0605","","","0.1219","0.1357","","","","","","1.252","","","","has coordinates","245975","2020-10-21","18:00:00",""
"2311553","8.804","0.0018","15.804","0.003","18.266","0.004","90","","98.78","0.03","90","","2511.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C116 H100 N12 O24 -","4","1","XU5911","Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Chen, Yu-Liang; Hu, Ya-Di","Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1<i>H</i>-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1956","1958","10.1107/S2056989017016929","","","0.71073","MoKα","","0.0957","0.0591","","","0.1454","0.1643","","","","","","1","","","","has coordinates","245976","2020-10-21","18:00:00",""
"2311554","7.9474","0.0003","27.3202","0.0009","6.3886","0.0002","90","","103.903","0.003","90","","1346.48","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4,4-Difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-<i>s</i>-indacen-3-yl)propanoic acid","","- C14 H15 B F2 N2 O2 -","- C14 H15 B F2 N2 O2 -","- C56 H60 B4 F8 N8 O8 -","4","1","IS5481","Kato, Takuma; Doi, Mitsunobu","Crystal structure of 3-(4,4-di-fluoro-5,7-dimethyl-4-bora-3a,4a-di-aza-<i>s</i>-indacen-3-yl)propanoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1974","1976","10.1107/S2056989017016942","","","1.54184","CuKα","","0.0376","0.0352","","","0.0917","0.093","","","","","","1.055","","","","has coordinates","245977","2020-10-21","18:00:00",""
"2311555","10.06","0.002","8.2538","0.0017","13.536","0.003","90","","104.479","0.01","90","","1088.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[5-(2-hydroxyphenyl)-2<i>H</i>-tetrazol-2-yl]acetate","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C40 H40 N16 O12 -","4","1","","Lee, Seul Gi; Ryu, Ji Yeon; Lee, Junseong","Crystal structure of methyl 2-[5-(2-hy-droxy-phen-yl)-2<i>H</i>-tetra-zol-2-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1971","1973","10.1107/S205698901701698X","","","0.71073","MoKα","","0.1242","0.0565","","","0.11","0.1367","","","","","","1.015","","","","has coordinates,has disorder","245978","2020-10-21","18:00:00",""
"2311556","13.8416","0.0009","7.7686","0.0004","16.4076","0.0013","90","","111.845","0.009","90","","1637.6","0.2","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetraaquairon(II)]-<i>trans</i>-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'] bis(<i>p</i>-toluenesulfonate) methanol disolvate]","","- C28 H40 Fe N2 O12 S2 -","- C28 H40 Fe N2 O12 S2 -","- C56 H80 Fe2 N4 O24 S4 -","2","0.5","XU5910","Hiiuk, Volodymyr M.; Barakhty, Diana D.; Shova, Sergiu; Polunin, Ruslan A.; Gural'skiy, Il'ya A.","Crystal structure of <i>catena</i>-poly[[[tetra-aqua-iron(II)]-<i>trans</i>-μ-1,2-bis-(pyridin-4-yl)ethene-κ<sup>2</sup><i>N</i>:<i>N</i>'] bis-(<i>p</i>-toluene-sulfonate) methanol disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1977","1980","10.1107/S2056989017017054","","","0.71073","MoKα","","0.0523","0.0407","","","0.091","0.0973","","","","","","1.063","","","","has coordinates","245979","2020-10-21","18:00:00",""
"2311696","9.7245","0.0004","10.1191","0.0004","17.5288","0.0007","87.839","0.003","80.433","0.004","70.331","0.004","1601.35","0.12","296","2","296","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 I2 N4 -","- C38 H24 I2 N4 -","- C76 H48 I4 N8 -","2","1","AO5017","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0629","0.0382","","","0.0698","0.0782","","","","","","0.998","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311697","16.0411","0.0011","22.6435","0.0011","9.6728","0.0007","90","","102.322","0.007","90","","3432.5","0.4","296","2","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 I2 N8 -","- C38 H24 I2 N8 -","- C152 H96 I8 N32 -","4","0.5","","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0671","0.0382","","","0.0808","0.0921","","","","","","1.05","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311698","9.6027","0.0018","10.0523","0.0019","18.021","0.004","85.6","0.005","80.043","0.005","68.603","0.005","1595.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-10-45 1,8-di(iodoethynyl)anthracene, (4,4'-bipyridyl-1-oxide)2","","- C38 H24 I2 N4 O2 -","- C38 H24 I2 N4 O2 -","- C76 H48 I4 N8 O4 -","2","1","AO5017","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0411","0.0375","","","0.0929","0.0948","","","","","","1.129","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311699","9.5153","0.0016","9.6261","0.0016","14.368","0.003","96.346","0.005","93.215","0.005","103.295","0.004","1268.4","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-10-14 1,8-di(iodoethynyl)anthracene, 1,2-bis(4-pyridyl)ethane","","- C30 H20 I2 N2 -","- C30 H20 I2 N2 -","- C60 H40 I4 N4 -","2","1","","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0279","0.0254","","","0.066","0.0674","","","","","","1.071","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311700","14.4231","0.0012","13.6011","0.0011","13.4798","0.001","90","","109.397","0.003","90","","2494.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TW-10-15 1,8-di(iodoethynyl)anthracene, 1,2-bis(4-pyridyl)ethylene","","- C30 H18 I2 N2 -","- C30 H18 I2 N2 -","- C120 H72 I8 N8 -","4","1","","Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B","A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","163","167","10.1107/S2052520616016450","","","0.71073","MoKα","","0.0949","0.058","","","0.1389","0.1619","","","","","","1.006","","","","has coordinates","246088","2020-10-21","18:00:00",""
"2311701","7.824","0.002","28.782","0.008","14.35","0.004","90","","90","","90","","3231.5","1.5","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound_1","","","- C20 H12 Cl2 S2 -","- C20 H12 Cl2 S2 -","- C160 H96 Cl16 S16 -","8","2","XM5002","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.7107","MoKα","","0.0203","0.0201","","","0.052","0.0522","","","","","","1.073","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2311702","7.8933","0.0001","29.1713","0.0004","14.4594","0.0002","90","","90","","90","","3329.39","0.08","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound_3","","","- C20 H12 Cl2 Se2 -","- C20 H12 Cl2 Se2 -","- C160 H96 Cl16 Se16 -","8","2","","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.71069","MoKα","","0.0264","0.0243","","","0.0592","0.06","","","","","","1.058","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2311703","7.8394","0.0001","8.0986","0.0002","15.065","0.0004","90.941","0.001","101.888","0.001","111.093","0.001","868.92","0.03","103","2","103","2","","","","","","","","4","P -1","-P 1","2","Compound_4","","","- C20 H12 Br2 Se2 -","- C20 H12 Br2 Se2 -","- C40 H24 Br4 Se4 -","2","1","","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.71075","MoKα","","0.0432","0.0391","","","0.0788","0.0805","","","","","","1.198","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2311704","5.146","0.001","5.146","0.001","13.859","0.005","90","","90","","120","","317.84","0.14","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","lithium niobate","lithium niobate","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","BP5094","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0211","0.021","","","0.0482","0.0483","","","","","","1.144","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311705","5.145","0.001","5.145","0.001","13.841","0.005","90","","90","","120","","317.3","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.7 O3 Ta0.3 -","- Li Nb0.7 O3 Ta0.3 -","- Li6 Nb4.2 O18 Ta1.8 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0247","0.0246","","","0.0607","0.0609","","","","","","1.214","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311706","5.147","0.001","5.147","0.001","13.834","0.005","90","","90","","120","","317.39","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.47 O3 Ta0.53 -","- Li Nb0.47 O3 Ta0.53 -","- Li6 Nb2.82 O18 Ta3.18 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0235","0.0235","","","0.0618","0.0618","","","","","","1.158","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311707","5.147","0.001","5.147","0.001","13.798","0.005","90","","90","","120","","316.56","0.14","294","2","294","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.4 O3 Ta0.6 -","- Li Nb0.4 O3 Ta0.6 -","- Li6 Nb2.4 O18 Ta3.6 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0145","0.0144","","","0.036","0.0362","","","","","","1.18","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311708","5.149","0.001","5.149","0.001","13.786","0.005","90","","90","","120","","316.53","0.14","294","1","294","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.36 O3 Ta0.64 -","- Li Nb0.36 O3 Ta0.64 -","- Li6 Nb2.16 O18 Ta3.84 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0161","0.0155","","","0.0411","0.0416","","","","","","1.22","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311709","5.151","0.001","5.151","0.001","13.776","0.005","90","","90","","120","","316.55","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.11 O3 Ta0.89 -","- Li Nb0.11 O3 Ta0.89 -","- Li6 Nb0.66 O18 Ta5.34 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.017","0.0169","","","0.0423","0.0424","","","","","","1.226","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311710","5.149","0.001","5.149","0.001","13.781","0.005","90","","90","","120","","316.42","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.08 O3 Ta0.92 -","- Li Nb0.08 O3 Ta0.92 -","- Li6 Nb0.48 O18 Ta5.52 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0194","0.019","","","0.0473","0.0481","","","","","","1.147","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311711","5.148","0.001","5.148","0.001","13.767","0.005","90","","90","","120","","315.97","0.14","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Lithium tantalate","Lithium tantalate","","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0166","0.0165","","","0.0437","0.044","","","","","","1.248","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311712","8.0917","0.0005","10.8937","0.0006","11.7949","0.0006","88.338","0.001","82.344","0.002","78.787","0.002","1010.76","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F N8 O2 -","- C20 H19 F N8 O2 -","- C40 H38 F2 N16 O4 -","2","1","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.0818","0.0455","","","0.1001","0.1433","","","","","","1.001","","","","has coordinates","246092","2020-10-21","18:00:00",""
"2311713","8.4657","0.0005","11.4408","0.0008","13.1812","0.0009","112.419","0.002","90.914","0.003","93.446","0.002","1176.99","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F N9 O2 -","- C22 H22 F N9 O2 -","- C44 H44 F2 N18 O4 -","2","1","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.0936","0.0544","","","0.1337","0.1599","","","","","","1.003","","","","has coordinates","246092","2020-10-21","18:00:00",""
"2311714","10.6703","0.0007","13.422","0.0009","16.9095","0.0012","73.92","0.003","74.788","0.002","83.294","0.002","2242.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H22.5 F N8.5 O2.5 -","- C21.5 H22.5 F N8.5 O2.5 -","- C86 H90 F4 N34 O10 -","4","2","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.1646","0.0852","","","0.1896","0.2314","","","","","","1.002","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311715","13.1749","0.0008","13.7062","0.0009","14.4719","0.001","70.217","0.002","72.912","0.001","70.776","0.003","2272.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F N8 O2 -","- C20 H19 F N8 O2 -","- C80 H76 F4 N32 O8 -","4","2","AO5027","Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong","Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","891","898","10.1107/S2052520617006011","","","0.71073","MoKα","","0.2358","0.0989","","","0.2445","0.3147","","","","","","1.004","","","","has coordinates","246092","2020-10-21","18:00:00",""
"2311716","16.2448","0.0004","16.2448","0.0004","44.017","0.008","90","","90","","120","","10059.6","1.9","743","","743","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Cu3.313 Si -","- Cu3.31252 Si -","- Cu636.004 Si192 -","192","16","BP5097","Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš","Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 4","767","774","10.1107/S2052520617006163","","","0.71073","MoKα","","0.5448","0.1503","","","0.1468","0.1593","","","","","","2.35","","","","has coordinates","246093","2020-10-21","18:00:00",""
"2311717","56.98","0.0003","56.98","0.0003","44.055","0.002","90","","90","","120","","123871","6","393","","393","","","","","","","","","2","P -3","-P 3","147","","","","- Cu3.311 Si -","- Cu3.31123 Si -","- Cu7788 Si2352 -","2352","392","BP5097","Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš","Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 4","767","774","10.1107/S2052520617006163","","","0.71073","MoKα","","0.2613","0.1192","","","0.1308","0.1366","","","","","","2.93","","","","has coordinates","246093","2020-10-21","18:00:00",""
"2311718","13.1442","0.0008","13.9946","0.0008","6.4272","0.0003","90","","90","","90","","1182.27","0.11","220","","220","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.05","0.0391","","0.074","0.0711","0.074","","","","","","0.9999","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311719","13.1361","0.001","14.0158","0.0011","6.4831","0.0005","90","","90","","90","","1193.62","0.16","260","","260","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0674","0.0503","","0.1125","0.1063","0.1125","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311720","6.4471","0.0005","14.2753","0.0011","6.4526","0.0005","90","","90","","90","","593.86","0.08","295","","295","","","","","","","","","5","P b m 2","P 2 -2b","28","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C8 H24 Cl8 Fe2 N2 -","2","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0612","0.0581","","0.1301","0.1282","0.1301","","","","","","0.9587","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311721","6.425","0.003","7.148","0.0016","6.4274","0.0018","90","","91.21","0.03","90","","295.12","0.17","318","","318","","","","","","","","","5","P 1 m 1","P -2y","6","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 Cl4 Fe N -","- C4 Cl4 Fe N -","1","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0782","0.0711","","0.1864","0.1822","0.1864","","","","","","0.9353","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311722","6.574","0.003","14.156","0.007","6.595","0.003","90","","93.87","0.04","90","","612.3","0.5","365","","365","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 Cl4 Fe N -","- C8 Cl8 Fe2 N2 -","2","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.133","0.119","","0.2057","0.2006","0.2055","","","","","","1.045","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311723","6.847","0.0005","6.847","0.0005","6.847","0.0005","90","","90","","90","","321","0.04","365","","365","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","tetramethylammonium tetrachloroferrate(III)","","- C4 Cl4 Fe N -","- C4 Cl4 Fe N -","- C4 Cl4 Fe N -","1","0.0208333","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0981","0.0981","","0.138","0.138","0.138","","","","","","0.9907","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311724","6.282","0.0004","14.0388","0.0008","12.8067","0.0008","90","","90","","90","","1129.45","0.12","100","","100","","","","","","","","","5","P c m b","-P 2bc 2c","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0576","0.054","","0.1334","0.1323","0.1334","","","","","","0.9991","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311725","12.8303","0.0004","14.0961","0.0004","6.3359","0.0002","90","","90","","90","","1145.89","0.06","180","","180","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0414","0.0399","","0.0914","0.0912","0.0914","","","","","","0.9773","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311726","12.8329","0.0007","14.1248","0.0004","6.3718","0.0003","90","","90","","90","","1154.97","0.09","226","","226","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0478","0.0464","","0.0941","0.094","0.0941","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311727","12.8736","0.0003","14.1743","0.0003","6.4043","0.0002","90","","90","","90","","1168.62","0.05","249","","249","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0543","0.051","","0.1055","0.1052","0.1055","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311728","6.4571","0.0005","7.1456","0.0005","6.4596","0.0006","90","","91.721","0.008","90","","297.91","0.04","300","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","Tetramethylammonium tetrachlorogallate(III)","","- C4 H12 Cl4 Ga N -","- C4 Cl4 Ga N -","- C4 Cl4 Ga N -","1","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0432","0.0425","","0.0995","0.0989","0.0995","","","","","","0.9828","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311729","6.8504","0.0004","6.8504","0.0004","6.8504","0.0004","90","","90","","90","","321.48","0.03","393","","393","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Tetramethylammonium tetrachlorogallate(III)","","- C4 Cl4 Ga N -","- C4 Cl4 Ga N -","- C4 Cl4 Ga N -","1","0.0208333","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0951","0.0951","","0.1549","0.1549","0.1549","","","","","","0.9988","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311730","4.7514","0.001","7.5719","0.0016","9.9414","0.0002","90","","90.015","0.0036","90","","357.66","0.11","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Be2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25 -","- Be2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25 -","- Be4 Ca1.1 Ce0.4 Fe1.14 O20 Si4 Y2.5 -","2","0.5","","Chukanov, Nikita V.; Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Kristiansen, Roy; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Van, Konstantin V.; Bychkova, Yana V.; Britvin, Sergey N.","Crystal structure of the OH-dominant gadolinite-(Y) analogue (Y,Ca)<sub>2</sub>(Fe,\σquare )Be<sub>2</sub>Si<sub>2</sub>O<sub>8</sub>(OH,O)<sub>2</sub> from Heftetjern pegmatite, Norway.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","899","906","10.1107/S2052520617006588","","x-ray","0.71069","MoKα","","0.0244","0.0217","","","0.027","0.0279","","","","1","1","0.98","","","","has coordinates","246095","2020-10-21","18:00:00",""
"2311731","9.6399","0.0012","10.3142","0.0014","13.4202","0.0018","99.961","0.004","107.306","0.004","97.321","0.004","1231.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 N2 -","- C14 H11 F3 N2 -","- C56 H44 F12 N8 -","4","2","AO5033","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0627","0.0478","","","0.1153","0.1241","","","","","","1.03","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311732","15.2831","0.0009","4.8177","0.0003","19.0386","0.0011","90","","103.74","0.003","90","","1361.69","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C60 H40 F24 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0339","0.0312","","","0.068","0.0693","","","","","","1.061","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311733","8.189","0.002","8.376","0.002","11.623","0.004","72.723","0.018","82.222","0.017","62.417","0.015","674.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C30 H20 F12 N4 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0562","0.0401","","","0.1136","0.1309","","","","","","1.164","","","","has coordinates","246096","2020-10-21","18:00:00",""
"2311734","11.5823","0.0006","13.8757","0.0007","7.4479","0.0003","90","","90","","90","","1196.97","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 F3 N2 -","- C14 H11 F3 N2 -","- C56 H44 F12 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0455","0.0368","","","0.0856","0.0897","","","","","","1.043","","","","has coordinates","246096","2020-10-21","18:00:00",""
"2311735","8.2523","0.0003","8.3039","0.0004","11.793","0.0005","82.823","0.002","74.769","0.002","61.428","0.002","684.78","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C30 H20 F12 N4 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.04","0.0365","","","0.1046","0.1073","","","","","","1.064","","","","has coordinates","246096","2020-10-21","18:00:00",""
"2311736","14.33","0.004","13.658","0.005","7.938","0.002","90","","112.607","0.011","90","","1434.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C60 H40 F24 N8 -","4","0.5","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0794","0.0505","","","0.1277","0.1423","","","","","","1.069","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311737","11.2082","0.0004","16.2891","0.0005","15.2689","0.0007","90","","90","","90","","2787.67","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C120 H80 F48 N16 -","8","2","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0672","0.0495","","","0.1212","0.1325","","","","","","1.029","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311738","20.0789","0.0008","7.4024","0.0007","7.2294","0.0015","90","","90","","90","","1074.5","0.2","283","","283","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe H5 O7 S -","- Fe H5 O7 S -","- Fe8 H40 O56 S8 -","8","1","","Plášil, Jakub; Petříček, Václav; Majzlan, Juraj","A commensurately modulated structure of parabutlerite, Fe<sup>III</sup>SO<sub>4</sub>(OH)·2H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","856","862","10.1107/S2052520617007156","","x-ray","0.71073","MoKα","","0.1185","0.0531","","","0.0622","0.0754","","","","2.14","2.14","1.75","","","","has coordinates","246097","2020-10-21","18:00:00",""
"2311739","12.4693","0.0003","12.4693","0.0003","7.9006","0.0003","90","","90","","90","","1228.41","0.06","293","","293","","","","","","","","","4","P 4 b m (a,b,2*c)","P 4 -2ab (x,y,1/2*z)","100","","","","- Ba0.476 Nb2 O6 Sr0.524 -","- Ba0.47816 Nb2 O6 Sr0.52328 -","- Ba4.7816 Nb20 O60 Sr5.2328 -","10","","","Graetsch, Heribert A.","Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","820","826","10.1107/S2052520617007880","","","0.71073","MoKα","","0.0645","0.0271","","","0.0357","0.0421","","","","1.59","1.59","1.18","","","","has coordinates","246098","2020-10-21","18:00:00",""
"2311740","12.4629","0.0003","12.4629","0.0003","7.9032","0.0003","90","","90","","90","","1227.56","0.06","293","","293","","","","","","","","","4","P 4 b m (a,b,2*c)","P 4 -2ab (x,y,1/2*z)","100","","","","- Ba0.47 Nb2 O6 Sr0.53 -","- Ba0.4784 Nb2 O6 Sr0.52328 -","- Ba4.784 Nb20 O60 Sr5.2328 -","10","","","Graetsch, Heribert A.","Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","820","826","10.1107/S2052520617007880","","","0.71073","MoKα","","0.0899","0.029","","","0.0365","0.0464","","","","1.47","1.47","1.11","","","","has coordinates","246098","2020-10-21","18:00:00",""
"2311741","14.692","0.002","5.681","0.001","9.776","0.001","90","","102.99","0.01","90","","795.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H K2.91 N0.09 O8 S2 -","- H2 K5.82 N0.18 O16 S4 -","- H4 K11.64 N0.36 O32 S8 -","2","0.25","","Choudhury, R. R.; Chitra, R.; Selezneva, E. V.; Makarova, I. P.","Effect of cationic substitution on the double-well hydrogen-bond potential in [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> proton conductors: a single-crystal neutron diffraction study.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","863","867","10.1107/S2052520617008642","","","0.996","neutron","","0.2401","0.1391","","","0.3037","0.3868","","","","","","1.104","","","","has coordinates","246099","2020-10-21","18:00:00",""
"2311742","5.0083","0.0001","5.0083","0.0001","33.3987","0.0008","90","","90","","120","","725.51","0.03","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0178","0.0099","","","0.0199","0.0209","","","","","","1.012","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311743","5.0084","0.0002","5.0084","0.0002","33.3941","0.0015","90","","90","","120","","725.43","0.05","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0205","0.0095","","","0.0185","0.0196","","","","","","1.019","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311744","5.0113","0.0001","5.0113","0.0001","33.5158","0.001","90","","90","","120","","728.92","0.03","200","2","200","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0199","0.0101","","","0.0192","0.0204","","","","","","0.954","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311745","5.0135","0.0001","5.0135","0.0001","33.4784","0.0009","90","","90","","120","","728.75","0.03","250","2","250","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0215","0.0096","","","0.0193","0.0207","","","","","","0.947","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311746","5.0161","0.0001","5.0161","0.0001","33.4952","0.0008","90","","90","","120","","729.87","0.03","280","2","280","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0199","0.01","","","0.021","0.0225","","","","","","1.026","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311747","5.016","0.0001","5.016","0.0001","33.517","0.0013","90","","90","","120","","730.32","0.04","299","2","299","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0213","0.01","","","0.0209","0.0226","","","","","","0.953","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311748","5.018","0.0001","5.018","0.0001","33.5012","0.0008","90","","90","","120","","730.55","0.03","320","2","320","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0231","0.0099","","","0.0208","0.0227","","","","","","0.968","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311749","5.0183","0.0001","5.0183","0.0001","33.5074","0.0008","90","","90","","120","","730.78","0.03","330","2","330","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0232","0.0105","","","0.0219","0.024","","","","","","1.007","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311750","5.0187","0.0001","5.0187","0.0001","33.5273","0.0009","90","","90","","120","","731.33","0.03","340","2","340","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0241","0.0109","","","0.0224","0.0246","","","","","","0.98","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311751","5.0198","0.0001","5.0198","0.0001","33.5169","0.0009","90","","90","","120","","731.42","0.03","350","2","350","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0244","0.0102","","","0.0212","0.0237","","","","","","1.01","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311752","5.0206","0.0001","5.0206","0.0001","33.5307","0.0014","90","","90","","120","","731.96","0.04","360","2","360","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0288","0.0116","","","0.0247","0.028","","","","","","0.99","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311753","5.0209","0.0001","5.0209","0.0001","16.7515","0.0005","90","","90","","120","","365.719","0.015","370","2","370","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0139","0.0139","","","0.0325","0.0326","","","","","","1.165","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311754","5.0214","0.0002","5.0214","0.0002","16.7931","0.0006","90","","90","","120","","366.7","0.02","380","2","380","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0148","0.0148","","","0.0303","0.0303","","","","","","1.144","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311755","5.0206","0.0002","5.0206","0.0002","16.7875","0.0006","90","","90","","120","","366.46","0.02","390","2","390","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0138","0.0138","","","0.0302","0.0302","","","","","","1.138","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311756","5.0217","0.0002","5.0217","0.0002","16.8037","0.0006","90","","90","","120","","366.98","0.02","399","2","399","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0136","0.0136","","","0.032","0.032","","","","","","1.117","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311757","5.0224","0.0002","5.0224","0.0002","16.8222","0.0008","90","","90","","120","","367.48","0.03","420","2","420","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0132","0.0132","","","0.0306","0.0306","","","","","","1.179","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311758","5.0228","0.0007","5.0228","0.0007","16.862","0.003","90","","90","","120","","368.41","0.1","440","2","440","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.014","0.014","","","0.0321","0.0321","","","","","","1.146","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311759","5.0256","0.001","5.0256","0.001","16.782","0.006","90","","90","","120","","367.07","0.17","440","2","440","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0136","0.0136","","","0.0318","0.0318","","","","","","1.116","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311760","5.027","0.001","5.027","0.001","16.778","0.003","90","","90","","120","","367.19","0.12","480","2","480","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.015","0.0147","","","0.0336","0.0337","","","","","","1.075","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311761","5.0277","0.0004","5.0277","0.0004","16.7972","0.0014","90","","90","","120","","367.71","0.05","500","2","500","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","1","0.0277778","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.015","0.015","","","0.0346","0.0346","","","","","","1.118","","","","has coordinates","246100","2020-10-21","18:00:00",""
"2311762","8.09423","0.00009","9.40452","0.00016","9.54481","0.00018","90","","90","","90","","726.57","0.02","130","","130","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H10 B F4 N O -","- C4 H10 B F4 N O -","- C16 H40 B4 F16 N4 O4 -","4","0.5","","Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas","Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","836","843","10.1107/S2052520617009398","","x-ray","0.71069","MoKα","","0.1651","0.0586","","","0.0682","0.0733","","","","3.9","3.9","2.73","","","","has coordinates","246101","2020-10-21","18:00:00",""
"2311763","8.131","0.00012","9.40719","0.00022","9.58445","0.00029","90","","90","","90","","733.11","0.03","160","","160","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H10 B F4 N O -","- C4 H10 B F4 N O -","- C16 H40 B4 F16 N4 O4 -","4","0.5","","Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas","Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","836","843","10.1107/S2052520617009398","","x-ray","0.71069","MoKα","","0.0976","0.0495","","","0.0649","0.069","","","","3.14","3.14","2.44","","","","has coordinates","246101","2020-10-21","18:00:00",""
"2311764","6.0925","0.0005","26.145","0.002","12.1017","0.001","90","","99.3633","0.0017","90","","1902","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","GW5053","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.062","0.0433","","","0.1037","0.1126","","","","","","1.109","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311765","6.1262","0.0006","26.531","0.002","12.0982","0.0011","90","","99.5055","0.0016","90","","1939.4","0.3","200","0.1","200","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0694","0.0458","","","0.098","0.1089","","","","","","1.093","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311766","6.1343","0.0009","26.629","0.004","12.0933","0.0018","90","","99.514","0.003","90","","1948.3","0.5","220","0.1","220","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.114","0.0634","","","0.1602","0.1896","","","","","","1.06","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311767","6.1398","0.0008","26.721","0.004","12.0772","0.0017","90","","99.554","0.002","90","","1953.9","0.5","240","0.1","240","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1096","0.0574","","","0.1428","0.168","","","","","","1.103","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311768","6.1457","0.0008","26.765","0.003","12.0716","0.0016","90","","99.654","0.002","90","","1957.5","0.4","250","0.1","250","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0856","0.0506","","","0.1111","0.1284","","","","","","1.051","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311769","10.1183","0.0018","27.015","0.005","7.1684","0.0013","90","","90","","90","","1959.5","0.6","260","0.1","260","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0575","0.0494","","","0.13","0.1369","","","","","","1.071","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311770","10.1464","0.0011","27.166","0.003","7.1898","0.0008","90","","90","","90","","1981.8","0.4","280","0.1","280","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0545","0.044","","","0.118","0.1275","","","","","","1.054","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311771","10.1732","0.0013","27.291","0.004","7.2049","0.0009","90","","90","","90","","2000.3","0.5","300","0.1","300","0.1","","","","","","","","4","F m m 2","F 2 -2","42","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0535","0.0434","","","0.1218","0.1315","","","","","","1.066","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311772","6.1425","0.0004","28.085","0.0018","12.1822","0.0008","90","","99.6957","0.0012","90","","2071.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0619","0.0471","","","0.1107","0.1205","","","","","","1.039","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311773","6.202","0.002","28.482","0.01","12.225","0.004","90","","100.276","0.007","90","","2124.9","1.2","250","0.1","250","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1008","0.0647","","","0.1326","0.1506","","","","","","1.119","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311774","10.1948","0.0013","7.3566","0.0009","28.679","0.004","90","","90","","90","","2150.9","0.5","280","0.1","280","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.104","0.08","","","0.2232","0.2429","","","","","","1.109","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311775","10.1958","0.0013","7.3592","0.0009","28.718","0.004","90","","90","","90","","2154.8","0.5","290","0.1","290","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","Hexamethylenetetramine bis(4-methylbenzoic acid)","","- C22 H28 N4 O4 -","- C22 H27 N4 O4 -","- C88 H108 N16 O16 -","4","0.25","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1061","0.0791","","","0.2193","0.2421","","","","","","1.086","","","","has coordinates,has disorder","246103","2020-10-21","18:00:00",""
"2311776","6.7327","0.0003","8.9894","0.0004","10.2191","0.0004","86.6588","0.0012","73.566","0.0012","86.5873","0.0013","591.62","0.04","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 La2 O13 Si4 -","- Ba2 La2 O13 Si4 -","- Ba4 La4 O26 Si8 -","2","1","RM5005","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0216","0.0203","","","0.0501","0.0508","","","","","","1.172","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311777","6.7062","0.0003","8.9719","0.0004","10.1565","0.0005","86.6118","0.0016","73.5658","0.0015","86.4609","0.0016","584.45","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ce2 O13 Si4 -","- Ba2 Ce2 O13 Si4 -","- Ba4 Ce4 O26 Si8 -","2","1","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0206","0.0185","","","0.0437","0.0445","","","","","","1.122","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311778","6.688","0.0003","8.953","0.0004","10.1324","0.0004","86.5023","0.0013","73.5481","0.0013","86.2929","0.0015","580.07","0.04","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 O13 Pr2 Si4 -","- Ba2 O13 Pr2 Si4 -","- Ba4 O26 Pr4 Si8 -","2","1","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0222","0.0205","","","0.05","0.0507","","","","","","1.165","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311779","12.9961","0.0009","5.2355","0.0007","17.626","0.003","90","","104.148","0.018","90","","1162.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 O13 Si4 Sm2 -","- Ba2 O13 Si4 Sm2 -","- Ba8 O52 Si16 Sm8 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0509","0.049","","","0.1447","0.1464","","","","","","1.177","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311780","12.9545","0.0013","5.2311","0.0008","17.595","0.005","90","","104.23","0.02","90","","1155.8","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Eu2 O13 Si4 -","- Ba2 Eu2 O13 Si4 -","- Ba8 Eu8 O52 Si16 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0485","0.0435","","","0.1149","0.1191","","","","","","1.111","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311781","12.8568","0.0005","5.2019","0.0002","17.5243","0.0007","90","","104.147","0.0015","90","","1136.48","0.08","298","2","302","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 O13 Si4 Tb2 -","- Ba2 O13 Si4 Tb2 -","- Ba8 O52 Si16 Tb8 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.02","0.017","","","0.0393","0.0485","","","","","","1.194","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311782","12.8478","0.0009","5.202","0.0006","17.525","0.003","90","","104.077","0.015","90","","1136.1","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Dy2 O13 Si4 -","- Ba2 Dy2 O13 Si4 -","- Ba8 Dy8 O52 Si16 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0446","0.0431","","","0.1283","0.1304","","","","","","1.162","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311783","12.8127","0.0007","5.1934","0.0005","17.514","0.003","90","","103.971","0.012","90","","1130.9","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Ho2 O13 Si4 -","- Ba2 Ho2 O13 Si4 -","- Ba8 Ho8 O52 Si16 -","4","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0366","0.0345","","","0.1004","0.1026","","","","","","1.13","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311784","5.476","0.004","7.166","0.006","8.958","0.008","108.138","0.018","102.03","0.02","92.742","0.019","324.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 Er2 F2 O12 Si4 -","- Ba2 Er2 F2 O12 Si4 -","- Ba2 Er2 F2 O12 Si4 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0362","0.0352","","","0.0933","0.0944","","","","","","1.145","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311785","5.4609","0.0004","7.1258","0.0005","8.9379","0.0007","107.809","0.002","101.987","0.002","92.866","0.002","321.5","0.04","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 F2 O12 Si4 Tm2 -","- Ba2 F2 O12 Si4 Tm2 -","- Ba2 F2 O12 Si4 Tm2 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0228","0.0224","","","0.0623","0.0625","","","","","","1.141","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311786","5.4461","0.0003","7.1212","0.0003","8.9128","0.0004","107.798","0.0014","101.866","0.0014","92.9455","0.0014","319.66","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 F2 O12 Si4 Yb2 -","- Ba2 F2 O12 Si4 Yb2 -","- Ba2 F2 O12 Si4 Yb2 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0143","0.0141","","","0.0574","0.0575","","","","","","1.138","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311787","5.451","0.003","7.1227","0.0018","8.8937","0.0018","107.73","0.03","101.81","0.04","93.01","0.04","319.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 F2 Lu2 O12 Si4 -","- Ba2 F2 Lu2 O12 Si4 -","- Ba2 F2 Lu2 O12 Si4 -","1","0.5","","Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.","Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","907","915","10.1107/S2052520617009544","","","0.71073","MoKα","","0.0368","0.0359","","","0.0983","0.099","","","","","","1.066","","","","has coordinates","246104","2020-10-21","18:00:00",""
"2311788","26.785","0.003","8.2451","0.0016","26.824","0.003","90","","90","0.01","90","","5923.9","1.5","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- F18 K36 O108 Sc18 Si36 -","- F18 K36 O108 Sc18 Si36 -","- F36 K72 O216 Sc36 Si72 -","2","0.5","","Hejny, C.; Bindi, L.","Low-temperature behaviour of K<sub>2</sub>Sc[Si<sub>2</sub>O<sub>6</sub>]F: determination of the lock-in phase and its relationships with fresnoite- and melilite-type compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","923","930","10.1107/S2052520617010241","","","0.71069","MoKα","","0.0327","0.0312","","","0.101","0.1011","","","","","","1.281","","","","has coordinates","246105","2020-10-21","18:00:00",""
"2311789","13.2748","0.0004","13.2748","0.0004","19.1521","0.0007","90","","90","","120","","2922.83","0.16","298","2","298","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","tren-SnS-1","","","- S28 Sn12 -","- S28 Sn12 -","- S28 Sn12 -","1","0.0416667","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0802","0.0584","","","0.2148","0.2266","","","","","","1.149","","","","has coordinates","246106","2020-10-21","18:00:00",""
"2311790","13.2299","0.0002","22.2673","0.0003","9.0772","0.0002","90","","90","","90","","2674.09","0.08","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1AEP-SnS-1","","","- C14 H26 N4 S7 Sn3 -","- C14 H26 N4 S7 Sn3 -","- C56 H104 N16 S28 Sn12 -","4","1","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0826","0.0383","","","0.0499","0.0574","","","","","","0.958","","","","has coordinates,has disorder","246106","2020-10-21","18:00:00",""
"2311791","13.1724","0.0005","22.2035","0.0011","8.9383","0.0005","90","","90","","90","","2614.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1AEP-SnS-1","","","- C14 H26 N4 S7 Sn3 -","- C14 H26 N4 S7 Sn3 -","- C56 H104 N16 S28 Sn12 -","4","1","","Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina","The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","931","940","10.1107/S2052520617010630","","","0.71073","MoKα","","0.0388","0.0291","","","0.0432","0.0446","","","","","","1.086","","","","has coordinates,has disorder","246106","2020-10-21","18:00:00",""
"2311792","7.766","0.0016","8.759","0.004","11.306","0.002","108.67","0.04","83.41","0.03","126.64","0.02","581.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al3 Cu6 O30 S Sb -","- Al3 Cu6 O30 S Sb -","- Al3 Cu6 O30 S Sb -","1","0.5","","Mills, Stuart J.; Christy, Andrew G.; Favreau, Georges; Galea-Clolus, Valérie","Multidimensional structural variation in the cyanotrichite family of merotypes: camerolaite-3b-Fβar 1.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","950","955","10.1107/S2052520617010769","","","0.71091","synchrotron","","0.0955","0.0885","","","0.2595","0.2707","","","","","","1.073","","","","has coordinates","246107","2020-10-21","18:00:00",""
"2311793","7.0762","0.0009","25.964","0.0017","7.445","0.0007","90","","118.506","0.009","90","","1202","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1a","","","- C10 H11 Cl2 Hg N O2 -","- C10 H11 Cl2 Hg N O2 -","- C40 H44 Cl8 Hg4 N4 O8 -","4","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0354","0.0292","","","0.0596","0.0619","","","","","","1.07","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311794","26.0002","0.0019","6.4821","0.001","16.196","0.0016","90","","127.176","0.001","90","","2174.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1b","","","- C20 H22 Cl2 Hg N2 O4 -","- C20 H22 Cl2 Hg N2 O4 -","- C80 H88 Cl8 Hg4 N8 O16 -","4","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0224","0.0215","","","0.0499","0.0502","","","","","","1.071","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311795","6.8597","0.0005","13.9425","0.001","26.7054","0.0019","90","","90","","90","","2554.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2a","","","- C10 H11 Br2 Hg N O2 -","- C10 H11 Br2 Hg N O2 -","- C80 H88 Br16 Hg8 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0419","0.0289","","","0.0471","0.0511","","","","","","1.08","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311796","26.6909","0.0015","6.5248","0.0004","16.07","0.0009","90","","126.946","0.001","90","","2236.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2b","","","- C20 H22 Br2 Hg N2 O4 -","- C20 H22 Br2 Hg N2 O4 -","- C80 H88 Br8 Hg4 N8 O16 -","4","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0227","0.0205","","","0.0446","0.0454","","","","","","1.057","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311797","7.0546","0.0014","14.2685","0.0016","27.4248","0.0019","90","","90","","90","","2760.5","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3","","","- C10 H11 Hg I2 N O2 -","- C10 H11 Hg I2 N O2 -","- C80 H88 Hg8 I16 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0555","0.0436","","","0.094","0.0988","","","","","","1.089","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311798","16.7982","0.0018","24.3995","0.0019","13.9346","0.0015","90","","107.435","0.004","90","","5448.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 Al2 Br8 Cl4 Hg4 N6 O17 -","- C84 H80 Al2 Br8 Cl4 Hg4 N6 O17 -","- C168 H160 Al4 Br16 Cl8 Hg8 N12 O34 -","2","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.1302","0.072","","","0.1863","0.2034","","","","","","1.072","","","","has coordinates,has disorder","246108","2020-10-21","18:00:00",""
"2311799","32.1651","0.0019","13.8294","0.0012","27.6145","0.0016","90","","124.917","0.003","90","","10072.3","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C69 H86 Al2 Cl2 Hg3 I6 N6 O23.18 -","- C69 H86 Al2 Cl2 Hg3 I6 N6 O23.178 -","- C276 H344 Al8 Cl8 Hg12 I24 N24 O92.712 -","4","0.5","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.082","0.0563","","","0.1574","0.1724","","","","","","1.024","","","","has coordinates,has disorder","288178","2023-12-08","09:50:42",""
"2311800","7.7759","0.0008","6.7421","0.0006","23.996","0.002","90","","95.224","0.006","90","","1252.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0519","0.0435","","","0.1182","0.1249","","","","","","1.056","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311801","10.0839","0.0015","5.0936","0.0008","23.335","0.003","90","","99.605","0.008","90","","1181.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0611","0.043","","","0.1202","0.1366","","","","","","1.085","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311802","5.0262","0.0003","25.2701","0.0011","9.7106","0.0005","90","","97.492","0.003","90","","1222.84","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0531","0.0448","","","0.1171","0.1226","","","","","","1.09","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311803","7.4159","0.0005","10.169","0.0007","11.0335","0.0008","70.471","0.003","76.142","0.003","78.253","0.004","754.4","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0424","0.0355","","","0.1001","0.1072","","","","","","1.038","","","","has coordinates","246110","2020-10-21","18:00:00",""
"2311804","7.6458","0.0009","9.9985","0.0011","18.027","0.002","103.727","0.005","92.711","0.006","91.656","0.005","1336.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C48 H52 N12 O16 S4 -","4","2","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit","First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","1007","1016","10.1107/S2052520617011477","","","0.71073","MoKα","","0.0865","0.0487","","","0.1365","0.1629","","","","","","1.05","","","","has coordinates,has disorder","246110","2020-10-21","18:00:00",""
"2311805","17.283","0.003","5.7371","0.0008","18.561","0.003","90","","108.274","0.004","90","","1747.6","0.5","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N2 O9 -","- C14 H26 N2 O9 -","- C56 H104 N8 O36 -","4","1","","Mora, Asiloé J; Belandria, Lusbely M.; Delgado, Gerzon E.; Seijas, Luis E.; Lunar, Angel; Almeida, Rafael","Non-covalent interactions in the multicomponent crystal of 1-aminocyclopentane carboxylic acid, oxalic acid and water: a crystallographic and a theoretical approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","968","980","10.1107/S2052520617011775","","","0.7107","MoKα","","0.1068","0.062","","","0.1424","0.164","","","","","","1.074","","","","has coordinates,has disorder","246111","2020-10-21","18:00:00",""
"2311862","38.459","0.003","8.6208","0.0007","8.242","0.0007","90","","95.371","0.002","90","","2720.6","0.4","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Inositol Derivative","1,2-<i>O</i>-Cyclohexylidene-<i>myo</i>-inositol dihydrate","","- C12 H24 O8 -","- C12 H23 O8 -","- C96 H184 O64 -","8","1","QS3056","Purushothaman, Gayathri; Juvale, Kapil; Kirubakaran, Sivapriya; Vemula, Praveen Kumar; Thiruvenkatam, Vijay","Water-mediated intermolecular interactions in 1,2-O-cyclohexylidene-myo-inositol: a quantitative analysis.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","20","27","10.1107/S2053229616018581","","","0.71073","MoKα","","0.0916","0.0551","","","0.1104","0.1404","","","","","","1.241","","","","has coordinates","246144","2020-10-21","18:00:00",""
"2311863","15.1693","0.0006","6.7367","0.0002","12.9532","0.0004","90","","108.033","0.004","90","","1258.68","0.08","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","magnesium <i>p</i>-arsanilate decahydrate","Hexaaquamagnesium bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","","- C12 H34 As2 Mg N2 O16 -","- C12 H34 As2 Mg N2 O16 -","- C24 H68 As4 Mg2 N4 O32 -","2","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0343","0.0284","","","0.0679","0.0717","","","","","","1.117","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311864","9.001","0.005","9.672","0.005","11.756","0.005","77.096","0.005","74.096","0.005","82.236","0.005","956.4","0.8","200","1","200","1","","","","","","","","6","P -1","-P 1","2","calcium <i>p</i>-arsanilate tetrahydrate","<i>catena</i>-Poly[[[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']-[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>]] dihydrate]","","- C12 H22 As2 Ca N2 O10 -","- C12 H22 As2 Ca N2 O10 -","- C24 H44 As4 Ca2 N4 O20 -","2","1","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0386","0.031","","","0.0641","0.0682","","","","","","1.055","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311865","9.8935","0.0003","7.5844","0.0003","23.6669","0.0009","90","","97.866","0.003","90","","1759.17","0.11","200","1","200","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","strontium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquastrontium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 N2 O9 Sr -","- C12 H20 As2 N2 O9 Sr -","- C48 H80 As8 N8 O36 Sr4 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.025","0.0219","","","0.0502","0.0511","","","","","","1.087","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311866","9.9997","0.0008","7.7305","0.0006","23.979","0.002","90","","98.214","0.007","90","","1834.6","0.3","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","barium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquabarium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 Ba N2 O9 -","- C12 H20 As2 Ba N2 O9 -","- C48 H80 As8 Ba4 N8 O36 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0259","0.0228","","","0.054","0.0549","","","","","","1.096","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311867","3.9329","0.0017","8.615","0.004","17.836","0.007","90","","90","","90","","604.3","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lithium chloride-pyridine solvate","<i>catena</i>-Poly[[(pyridine-κ<i>N</i>)lithium]-μ~3~-chlorido]","","- C5 H5 Cl Li N -","- C5 H5 Cl Li N -","- C20 H20 Cl4 Li4 N4 -","4","1","KY3111","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0342","0.0293","","","0.0652","0.0672","","","","","","1.058","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311868","24.725","0.003","14.7026","0.0018","15.8325","0.0019","90","","90","","90","","5755.5","1.2","100","2","100.01","","","","","","","","","6","A e a 2","A 2 -2ab","41","","Tetrakis(4-ethenylpyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C28 H28 F6 Li N4 P -","- C28 H28 F6 Li N4 P -","- C224 H224 F48 Li8 N32 P8 -","8","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0468","0.0383","","","0.0921","0.098","","","","","","1.067","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311869","12.3857","0.0012","12.3857","0.0012","7.0065","0.001","90","","90","","90","","1074.8","0.2","123","2","123.09","","","","","","","","","6","I -4","I -4","82","Pyridine Lithium hexafluorophosphate solvate","Tetrakis(pyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C20 H20 F6 Li N4 P -","- C20 H20 F6 Li N4 P -","- C40 H40 F12 Li2 N8 P2 -","2","0.25","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.049","0.0488","","","0.1188","0.1193","","","","","","1.055","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311870","12.24","0.004","18.88","0.006","12.675","0.004","90","","105.864","0.006","90","","2817.5","1.6","178","2","178","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Vinylpyridine lithium chloride solvate","Di-μ-chlorido-bis[bis(4-ethenylpyridine-κ<i>N</i>)lithium]","","- C28 H28 Cl2 Li2 N4 -","- C28 H28 Cl2 Li2 N4 -","- C112 H112 Cl8 Li8 N16 -","4","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.1288","0.0525","","","0.0937","0.117","","","","","","0.97","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311871","9.2021","0.0017","10.2022","0.0016","16.532","0.003","74.49","0.006","78.452","0.006","76.849","0.006","1440.2","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","PLZ03102016","Methyl 8-[4-(1<i>H</i>-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C60 H88 N4 O8 -","2","1","EG3217","Geiger, H. Cristina; Zick, Patricia L.; Roberts, William R.; Geiger, David K.","Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 4","350","356","10.1107/S2053229617004314","","","0.71073","MoKa","","0.0664","0.0456","","","0.1143","0.128","","","","","","1.031","","","","has coordinates,has disorder","246147","2020-10-21","18:00:00",""
"2311872","15.26","0.003","11.75","0.002","10.334","0.002","90","","99.04","0.03","90","","1829.9","0.6","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[chlorido[μ~3~-(pyridin-1-ium-3-yl)phosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']zinc(II)]","","- C5 H5 Cl N O3 P Zn -","- C5 H5 Cl N O3 P Zn -","- C40 H40 Cl8 N8 O24 P8 Zn8 -","8","1","LY3044","Wilk-Kozubek, Magdalena; Jarzembska, Katarzyna N.; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis, structural characterization and computational studies of catena-poly[chlorido[μ<sub>3</sub>-(pyridin-1-ium-3-yl)phosphonato-κ<sup>3</sup>O:O':O'']zinc(II)].","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","363","368","10.1107/S2053229617004478","","","0.71073","MoKα","","0.0673","0.0348","","","0.0645","0.0713","","","","","","1.002","","","","has coordinates","246148","2020-10-21","18:00:00",""
"2311873","28.73","0.006","7.5129","0.0015","12.476","0.003","90","","111.97","0.03","90","","2497.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C28 H24 N8 O Zn -","- C28 H24 N8 O Zn -","- C112 H96 N32 O4 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.1026","0.0615","","","0.1276","0.1451","","","","","","1.004","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311874","16.869","0.003","12.488","0.003","14.626","0.003","90","","114.98","0.03","90","","2792.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κO)zinc(II)","","- C28 H24 N10 O6 Zn -","- C28 H24 N10 O6 Zn -","- C112 H96 N40 O24 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0313","0.028","","","0.0724","0.074","","","","","","1.041","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311875","12.297","0.003","12.663","0.003","9.99","0.002","90","","111.58","0.03","90","","1446.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(methanol-κO)bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C30 H30 N8 O2 Zn -","- C30 H30 N8 O2 Zn -","- C60 H60 N16 O4 Zn2 -","2","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0829","0.0417","","","0.0911","0.1125","","","","","","0.99","","","","has coordinates,has disorder","246149","2020-10-21","18:00:00",""
"2311876","18.848","0.004","11.254","0.002","15.707","0.003","90","","119.44","0.03","90","","2901.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diiodidobis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]cadmium(II)","","- C28 H24 Cd I2 N8 -","- C28 H24 Cd I2 N8 -","- C112 H96 Cd4 I8 N32 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0415","0.0402","","","0.1009","0.102","","","","","","1.096","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311877","17.113","0.003","12.603","0.003","14.708","0.003","90","","115.8","0.03","90","","2855.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κ<i>O</i>)cadmium(II)","","- C28 H24 Cd N10 O6 -","- C28 H24 Cd N10 O6 -","- C112 H96 Cd4 N40 O24 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0331","0.03","","","0.0672","0.0684","","","","","","1.065","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311878","28.735","0.006","7.4617","0.0015","12.421","0.003","90","","111.79","0.03","90","","2472.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]cobalt(II)","","- C28 H24 Co N8 O -","- C28 H24 Co N8 O -","- C112 H96 Co4 N32 O4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0355","0.0285","","","0.0676","0.071","","","","","","1.068","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311879","26.778","0.005","7.4858","0.0015","12.472","0.003","90","","92.91","0.03","90","","2496.8","0.9","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diaquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]nickel(II)","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0266","0.0241","","","0.0662","0.0673","","","","","","1.071","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311880","10.6203","0.0012","11.8441","0.0013","12.3126","0.0013","99.255","0.006","100.973","0.005","111.584","0.005","1367.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C62 H56 Fe2 I2 P2 -","2","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0438","0.0331","","","0.0681","0.0776","","","","","","1.153","","","","has coordinates","246150","2020-10-21","18:00:00",""
"2311881","10.109","0.0016","10.6299","0.0015","25.148","0.004","90","","102.868","0.007","90","","2634.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C124 H112 Fe4 I4 P4 -","4","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0471","0.0269","","","0.0445","0.0489","","","","","","1.007","","","","has coordinates,has disorder","246150","2020-10-21","18:00:00",""
"2311882","8.9262","0.0009","9.9679","0.001","14.9683","0.0013","90","","101.825","0.01","90","","1303.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-aminopyridine-κ<i>N</i>^1^)dichloridocobalt(II)","","- C10 H12 Cl2 Co N4 -","- C10 H12 Cl1.954 Co0.973 N4 -","- C40 H48 Cl7.816 Co3.892 N16 -","4","0.5","YO3026","Sanchez Montilva, Olga Carolina; Movilla, Federico; Rodriguez, Maricel Gabriela; Di Salvo, Florencia","Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN<sup>1</sup>)dichloridocobalt(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","399","406","10.1107/S2053229617004880","","","0.71073","MoKα","","0.1316","0.0616","","","0.1087","0.1432","","","","","","1.009","","","","has coordinates,has disorder","246151","2020-10-21","18:00:00",""
"2311883","10.5788","0.0011","6.2806","0.0005","15.8478","0.0019","90","","105.272","0.012","90","","1015.76","0.19","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","- C40 H44 Cu2 N8 O16 -","2","0.5","LF3053","Kocak, Cagdas; Oylumluoglu, Gorkem; Donmez, Adem; Coban, M. Burak; Erkarslan, Ugur; Aygun, Muhittin; Kara, Hulya","Crystal structure and photoluminescence properties of a new monomeric copper(II) complex: bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ<sup>3</sup>O,N,O')copper(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","414","419","10.1107/S2053229617005976","","","0.71073","MoKα","","0.0943","0.0556","","","0.1017","0.1203","","","","","","1.027","","","","has coordinates","246152","2020-10-21","18:00:00",""
"2311884","4.7443","0.0003","39.332","0.002","6.7618","0.0004","90","","100.99","0.003","90","","1238.63","0.13","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-benzylnicotinamide","3-Aminocarbonyl-1-benzylpyridinium bromide","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C52 H52 Br4 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","1.54178","CuKα","","0.0386","0.0377","","","0.0868","0.0873","","","","","","1.255","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311885","12.0186","0.0008","5.7435","0.0004","16.1124","0.0011","90","","94.474","0.001","90","","1108.83","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-benzyl-1,4-dihydronicotinamide","1-Benzyl-1,4-dihydropyridine-3-carboxamide","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","0.71073","MoKα","","0.0505","0.0436","","","0.1117","0.1179","","","","","","1.05","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311886","4.869","0.001","11.071","0.002","15.807","0.003","90","","90","","90","","852.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","aluminium dihydrogen arsenate dihydrogen diarsenate","Aluminium [dihydrogen arsenate(V)] dihydrogen diarsenate(V)","","- Al As3 H4 O11 -","- Al As3 H4 O11 -","- Al4 As12 H16 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.041","0.0276","","","0.0587","0.0623","","","","","","1.097","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311887","4.916","0.001","11.213","0.002","15.853","0.003","90","","90","","90","","873.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","gallium dihydrogen arsenate dihydrogen diarsenate","Gallium dihydrogen arsenate(V) dihydrogen diarsenate(V)","","- As3 Ga H4 O11 -","- As3 Ga H3 O11 -","- As12 Ga4 H12 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0364","0.0309","","","0.0794","0.0818","","","","","","1.14","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311888","12.487","0.002","11.529","0.002","12.553","0.003","90","","101.4","0.03","90","","1771.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indum dihydrogen arsenate dihydrogen diarsenate","Diindium bis[dihydrogen arsenate(V)] bis[dihydrogen diarsenate(V)]","","- As6 H8 In2 O22 -","- As6 H5 In2 O22 -","- As24 H20 In8 O88 -","4","1","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0422","0.0338","","","0.0698","0.0718","","","","","","1.222","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311889","12.363","0.0004","12.6281","0.0005","16.3765","0.0006","89.948","0.003","95.46","0.003","96.455","0.003","2528.86","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetra-<i>n</i>-butylammonium) diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(II) 1.8-hydrate","","- C42 H83.6 Co N6 O11.8 -","- C42 H80 Co N6 O11.8 -","- C84 H160 Co2 N12 O23.6 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1078","0.0469","","","0.0951","0.1034","","","","","","1.033","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311890","13.1679","0.0012","9.3413","0.0009","16.3388","0.0014","90","","102.669","0.009","90","","1960.8","0.3","277","1","277","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1107","0.0549","","","0.1019","0.11","","","","","","1.021","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311891","12.9054","0.0008","9.3791","0.0008","16.129","0.0012","88.724","0.006","102.898","0.006","88.528","0.006","1901.6","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H48 Co N7 O11 -","- C72 H96 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1377","0.0949","","","0.2251","0.2481","","","","","","1.439","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311892","13.0259","0.0004","9.3504","0.0003","16.3308","0.0005","90","","103.847","0.003","90","","1931.24","0.11","220","1","220","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0587","0.048","","","0.1255","0.1294","","","","","","1.07","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311893","13.008","0.0008","9.332","0.0006","16.3753","0.0012","90","","104.364","0.007","90","","1925.7","0.2","170","1","170","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0847","0.0664","","","0.153","0.1646","","","","","","1.075","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311894","13.0155","0.0015","9.4028","0.0014","16.264","0.0017","88.794","0.011","103.054","0.009","88.687","0.011","1937.8","0.4","170","1","170","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0712","0.0617","","","0.1549","0.1608","","","","","","1.052","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311895","13.3664","0.0015","13.3664","0.0015","5.964","0.0009","90","","90","","120","","922.8","0.2","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","Triyttrium tetragold","","- Au4 Y3 -","- Au4 Y3 -","- Au24 Y18 -","6","0.333333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.0661","0.0471","","","0.0883","0.094","","","","","","1.036","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311896","12.5433","0.0017","12.5433","0.0017","9.1389","0.0014","90","","90","","120","","1245.2","0.3","293","2","293","2","","","","","","","","2","P 6/m","-P 6","175","","Tetradecayttrium henpentacontagold","","- Au51 Y14 -","- Au51 Y14 -","- Au51 Y14 -","1","0.0833333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.027","0.0223","","","0.0418","0.0437","","","","","","1.128","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311897","4.9221","0.0001","8.4974","0.0002","24.1323","0.0007","90","","91.61","0.001","90","","1008.94","0.04","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(2,2-Difluoroethoxy)methyl]pyridinium iodide","","- C8 H10 F2 I N O -","- C8 H10 F2 I N O -","- C32 H40 F8 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0144","0.0141","","","0.0288","0.0289","","","","","","1.284","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311898","5.3299","0.0002","27.5016","0.0007","8.3227","0.0002","90","","91.813","0.002","90","","1219.34","0.06","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-[(3-Chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide","","- C9 H9 Cl F4 I N O -","- C9 H9 Cl F4 I N O -","- C36 H36 Cl4 F16 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0184","0.0179","","","0.0368","0.037","","","","","","1.199","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311899","5.9758","0.0005","36.456","0.003","24.363","0.002","90","","91.997","0.003","90","","5304.3","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C264 H216 Fe24 O36 -","12","3","YF3122","Tazi, Mehdi; Roisnel, Thierry; Mongin, Florence; Erb, William","Ferrocenecarboxylic anhydride: identification of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","760","766","10.1107/S205322961701124X","","","0.71073","MoKα","","0.0509","0.049","","","0.1181","0.1189","","","","","","1.106","","","","has coordinates","246158","2020-10-21","18:00:00",""
"2311900","7.8161","0.0002","11.3126","0.0003","12.2248","0.0003","116.339","0.0012","99.6342","0.0014","98.3722","0.0013","925","0.04","123","","123","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis({η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}palladium(II)) bis(tetrafluoroborate) acetonitrile disolvate","","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","1","0.5","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0262","0.0235","","","0.0601","0.0616","","","","","","1.052","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311901","20.361","0.003","8.9068","0.0011","24.876","0.003","90","","95.035","0.005","90","","4493.9","1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetonitrile{η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}\ palladium(II) bis(tetrafluoroborate)","","- C18 H22 Br2 F8 N4 Pd -","- C18 H22 B1.9995 F7.998 N4 Pd -","- C144 H176 B15.996 F63.984 N32 Pd8 -","8","2","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0236","0.0224","","","0.0582","0.0591","","","","","","1.054","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311902","12.5854","0.001","10.0901","0.0007","19.8568","0.0016","90","","90","","90","","2521.6","0.3","293.15","0.02","293.15","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Diaminopyridine‒piracetam (1/1)","2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C88 H136 N40 O16 -","8","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0619","0.0561","","","0.13","0.136","","","","","","1.191","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311903","9.5439","0.0003","15.6588","0.0005","9.4887","0.0003","90","","109.927","0.001","90","","1333.15","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Diaminopyridine‒theophylline (1/1)","2,6-Diaminopyridine‒1,3-dimethyl-7<i>H</i>-purine-2,6-dione (1/1)","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C48 H60 N28 O8 -","4","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0396","0.0377","","","0.1059","0.1079","","","","","","1.052","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311904","15.0609","0.0002","5.0408","0.0001","16.0954","0.0002","90","","112.72","","90","","1127.13","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0235","0.0231","","","0.061","0.0613","","","","","","1.056","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311905","5.0506","0.0002","8.0441","0.0003","14.1954","0.0005","96.877","0.001","95.134","0.002","96.306","0.001","566.02","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C20 H18 N6 O6 S4 -","2","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0265","0.0263","","","0.0717","0.072","","","","","","1.088","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311906","7.8582","0.0006","6.1279","0.0004","24.4164","0.0017","90","","98.211","0.002","90","","1163.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0345","0.0344","","","0.0991","0.0991","","","","","","1.14","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311907","7.3654","0.0003","6.455","0.0002","25.8911","0.0009","90","","90.808","0.001","90","","1230.84","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N3 O4 S2 -","- C10 H11 N3 O4 S2 -","- C40 H44 N12 O16 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0261","0.0259","","","0.0684","0.0686","","","","","","1.08","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311908","12.014","0.0008","13.8692","0.0009","15.7804","0.001","84.797","0.001","89.778","0.001","74.914","0.001","2527.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,2κ<i>O</i>-(1,2-dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')bis(μ-phenylmethanolato-1:2κ^2^<i>O</i>:<i>O</i>)(tetrahydrofuran-2κ<i>O</i>)dimagnesium(II)","","- C52 H78 Mg2 O7 -","- C52 H78 Mg2 O7 -","- C104 H156 Mg4 O14 -","2","1","KY3130","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0641","0.0435","","","0.1049","0.1154","","","","","","1.025","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311909","23.1969","0.0017","11.2068","0.0008","24.388","0.0017","90","","100.344","0.001","90","","6236.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,3κ<i>O</i>- tetrakis(μ-2-methylphenolato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-bis(tetrahydrofuran)-1κ<i>O</i>,3κ<i>O</i>-trimagnesium(II)","","- C66 H90 Mg3 O8 -","- C66 H90 Mg3 O8 -","- C264 H360 Mg12 O32 -","4","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.07","0.0489","","","0.1302","0.1439","","","","","","1.024","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311910","8.959","0.0005","20.4643","0.0011","13.5552","0.0007","90","","94.318","0.0008","90","","2478.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~3~-2-aminoethanolato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>,<i>N</i>)tetrakis(μ~2~-2-aminoethanolato-κ^3^<i>O</i>:<i>O</i>,<i>N</i>)bis(2,6-di-<i>tert</i>-butyl-4-methylphenolatoκ<i>O</i>)tetramagnesium(II)","","- C42 H82 Mg4 N6 O8 -","- C42 H82 Mg4 N6 O8 -","- C84 H164 Mg8 N12 O16 -","2","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0495","0.0376","","","0.103","0.1109","","","","","","1.035","","","","has coordinates","246163","2020-10-21","18:00:00",""
"2311911","26.6774","0.0016","26.6774","0.0016","10.3451","0.0006","90","","90","","120","","6376.1","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","1-ethynyl-2-nitro-4,5-dipropoxybenzene","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C252 H306 N18 O72 -","18","1","FN3243","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0611","0.0468","","","0.1265","0.1381","","","","","","1.055","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311912","8.5209","0.0005","18.0914","0.001","9.9579","0.0005","90","","97.967","0.001","90","","1520.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dibutoxy-4-ethynyl-5-nitrobenzene","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0665","0.0413","","","0.0922","0.1029","","","","","","1.022","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311913","4.57","0.004","9.415","0.008","20.968","0.018","94.003","0.012","90.758","0.012","93.435","0.011","898.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1-ethynyl-2-nitro-4,5-bis-pentoxybenzene","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.1465","0.0852","","","0.2308","0.2621","","","","","","1.03","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311914","8.4533","0.0002","10.238","0.0003","10.2552","0.0002","90","","107.881","0.001","90","","844.66","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","CU3117","Maia, Angélica Faleiros da Silva; Martins, Felipe T.; Silva Neto, Leonardo da; Alves, Rosemeire Brondi; De Fátima, Ângelo","Cocaethylene, the in vivo product of cocaine and ethanol, is a narcotic more potent than its precursors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","780","783","10.1107/S2053229617012852","","","1.54178","CuKα","","0.0374","0.0358","","","","0.1011","","","","","","1.027","","","","has coordinates","246165","2020-10-21","18:00:00",""
"2311915","16.9491","0.0005","12.3954","0.0004","30.5023","0.0009","90","","105.11","0.0004","90","","6186.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 Cl Nd O14 P2 -","- C54 H92 Cl Nd O14 P2 -","- C216 H368 Cl4 Nd4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0403","0.0343","","","0.0845","0.0875","","","","","","1.056","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311916","16.877","0.002","12.443","0.0017","30.404","0.004","90","","104.231","0.002","90","","6188.9","1.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)lutetium methanol disolvate","","- C54 H92 Cl Lu O14 P2 -","- C54 H92 Cl Lu O14 P2 -","- C216 H368 Cl4 Lu4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0279","0.0249","","","0.0592","0.0604","","","","","","1.048","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311917","16.9203","0.0005","12.3877","0.0004","30.3676","0.001","90","","104.708","0.001","90","","6156.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)yttrium methanol disolvate","","- C54 H92 Cl O14 P2 Y -","- C54 H92 Cl O14 P2 Y -","- C216 H368 Cl4 O56 P8 Y4 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0602","0.039","","","0.0883","0.0954","","","","","","1.017","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311918","16.7581","0.0011","12.5821","0.0009","30.732","0.002","90","","104.876","0.001","90","","6262.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]tetrakis(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 N Nd O17 P2 -","- C54 H92 N Nd O17 P2 -","- C216 H368 N4 Nd4 O68 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0611","0.0438","","","0.0953","0.1014","","","","","","1.075","","","","has coordinates,has disorder","246166","2020-10-21","18:00:00",""
"2311919","7.811","0.004","17.951","0.009","11.405","0.006","90","","92.36","0.02","90","","1597.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0462","0.0396","","","0.0975","0.1015","","","","","","1.086","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311920","31.172","0.016","10.039","0.006","17.861","0.01","90","","123.334","0.014","90","","4670","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-{5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl}-1-(4-bromophenyl)prop-2-en-1-one","","- C27 H24 Br N3 O -","- C27 H24 Br N3 O -","- C216 H192 Br8 N24 O8 -","8","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0754","0.0455","","","0.0957","0.1113","","","","","","1.013","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311921","11.321","0.005","21.572","0.013","9.55","0.005","90","","97.711","0.018","90","","2311","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>)-5'-[Benzyl(methyl)amino]-3'-methyl-1',5-diphenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]-2-carbaldehyde","","- C28 H27 N5 O -","- C28 H27 N5 O -","- C112 H108 N20 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0482","0.0398","","","0.0941","0.0991","","","","","","1.063","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311922","9.363","0.006","28.238","0.018","10.775","0.007","90","","97.04","0.02","90","","2827","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3<i>RS</i>)-2-acetyl-5'-[Benzyl(methyl)amino]- 5-(4-methoxyphenyl)-3'-methyl-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole] ethanol 0.945-solvate","","- C31.89 H36.67 N5 O2.95 -","- C31.89 H36.67 N5 O2.945 -","- C127.56 H146.68 N20 O11.78 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0542","0.0423","","","0.098","0.1041","","","","","","1.078","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311923","8.6692","0.0017","21.933","0.004","11.12","0.002","90","","110.77","0.03","90","","1977","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[aqua(μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^)[μ-2-(1<i>H</i>-imidazol-1-ylmethyl)-6-methyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^:<i>N</i>^3^]cadmium(II)]","","- C20 H18 Cd N4 O5 -","- C20 H18 Cd N4 O5 -","- C80 H72 Cd4 N16 O20 -","4","1","","Yang, Huai Xia; Yang, Yan Qiu; Cheng, Di; Li, Ya Xue; Meng, Xiang Ru","A new two-dimensional Cd<sup>II</sup> coordination polymer based on 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole and benzene-1,2-dicarboxylate: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","828","832","10.1107/S2053229617013080","","","0.71073","MoKα","","0.0299","0.028","","","0.0557","0.0568","","","","","","1.097","","","","has coordinates","246168","2020-10-21","18:00:00",""
"2311924","4.8622","0.0003","6.9718","0.0004","10.1539","0.0005","90","","98.727","0.003","90","","340.21","0.03","123","","123","","","","","","","","","4","P 1 c 1","P -2yc","7","","Hydroxytropylium chloride","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C14 H14 Cl2 O2 -","2","1","FP3042","Jandl, Christian; Pöthig, Alexander","Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","810","813","10.1107/S2053229617013183","","","0.71073","MoKα","","0.0213","0.0212","","","0.0585","0.0587","","","","","","1.036","","","","has coordinates","246169","2020-10-21","18:00:00",""
"2311925","9.7575","0.0003","11.0792","0.0003","15.5286","0.0004","88.733","0.001","83.753","0.001","66.337","0.001","1528.02","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,3-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C56 H52 Cl8 N4 O16 S4 -","4","2","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0333","0.0328","","","0.0903","0.0909","","","","","","1.03","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311926","7.4855","0.0005","8.1175","0.0006","13.9643","0.001","98.151","0.002","95.566","0.002","114.952","0.002","749.84","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,4-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C28 H26 Cl4 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0348","0.034","","","0.0989","0.1001","","","","","","1.018","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311927","8.2859","0.0014","8.7197","0.0015","12.232","0.002","70.522","0.005","80.171","0.005","78.856","0.005","812.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,4-Dimethylphenyl)-2,5-dimethoxybenzenesulfonamide","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C32 H38 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0438","0.043","","","0.1346","0.1366","","","","","","0.986","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311928","8.6181","0.0006","12.8068","0.0009","16.7622","0.0012","85.5267","0.0009","79.0539","0.001","80.1701","0.001","1787.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","a","3,5-Dichloropyridinium tetrachloridozincate(II)","","- C10 H8 Cl8 N2 Zn -","- C10 H8 Cl8 N2 Zn -","- C40 H32 Cl32 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0341","0.0286","","","0.0719","0.0745","","","","","","1.011","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311929","8.8739","0.0015","13.469","0.002","17.284","0.003","79.539","0.003","78.468","0.002","76.968","0.002","1951.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","b","3,5-Dichloropyridinium tetrabromidozincate(II)","","- C10 H8 Br4 Cl4 N2 Zn -","- C10 H8 Br4 Cl4 N2 Zn -","- C40 H32 Br16 Cl16 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0683","0.0464","","","0.1065","0.1161","","","","","","1.015","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311930","8.8698","0.0009","13.4808","0.0013","17.2853","0.0017","79.5702","0.0015","78.4951","0.0014","76.8616","0.0014","1952.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","c","3,5-Dichloropyridinium tetrabromidocobaltate(II)","","- C10 H8 Br4 Cl4 Co N2 -","- C10 H8 Br4 Cl4 Co N2 -","- C40 H32 Br16 Cl16 Co4 N8 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0573","0.0384","","","0.0816","0.088","","","","","","1.01","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311931","10.419","0.002","13.496","0.002","6.669","0.002","90","","90","","90","","937.8","0.4","298","2","298","2","","","","","","","","6","I m m a","-I 2b 2","74","","Sodium calcium trinickel aluminium triarsenate","","- Al0.46 As3 Ca0.77 Na Ni2.54 O12 -","- Al0.457 As3 Ca0.774 Na Ni2.543 O12 -","- Al1.828 As12 Ca3.096 Na4 Ni10.172 O48 -","4","0.25","SK3667","Ben Smail, Ridha; Zid, Mohamed Faouzi","An arsenate with the α-CrPO<sub>4</sub> structure type, NaCa<sub>1-x</sub>Ni<sub>3-2x</sub>Al<sub>2x</sub>(AsO<sub>4</sub>)<sub>3</sub> (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","896","904","10.1107/S2053229617013213","","","0.71073","MoKα","","0.0227","0.0196","","","0.0565","0.0579","","","","","","1.13","","","","has coordinates","246172","2020-10-21","18:00:00",""
"2311932","26.022","0.009","7.41","0.003","6.531","0.002","90","","94.377","0.011","90","","1255.7","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Me","4,4'-Bis[5-(methoxycarbonyl)pentyloxy]biphenyl","","- C26 H34 O6 -","- C26 H34 O6 -","- C52 H68 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1227","0.0806","","","0.2295","0.2644","","","","","","1.043","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311933","26.594","0.007","7.5344","0.0017","6.5302","0.0014","90","","95.872","0.008","90","","1301.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Et","4,4'-Bis[5-(ethoxycarbonyl)pentyloxy]biphenyl","","- C28 H38 O6 -","- C28 H38 O6 -","- C56 H76 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1204","0.0725","","","0.1958","0.2322","","","","","","1.055","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311934","11.8775","0.0009","13.3374","0.0009","13.9741","0.0009","66.056","0.003","73.926","0.003","65.297","0.003","1822.6","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorido-bis{μ-calix[2]imidazolium[2]imidazolylidene[2]pyrazolate}trinickel(II) tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate","","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","1","0.5","FP3043","Altmann, Philipp J.; Ehrenreich, Michael; Pöthig, Alexander","A hybrid imidazolylidene/imidazolium nickel NHC complex: an isolated intermediate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","880","884","10.1107/S2053229617013250","","","0.71073","MoKα","","0.066","0.0407","","","0.0853","0.0943","","","","","","1.024","","","","has coordinates","246174","2020-10-21","18:00:00",""
"2311935","13.4659","0.0006","11.0854","0.0006","10.7955","0.0006","90","","106.271","0.005","90","","1546.95","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromoperfluorobutane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C10 H12 Br2 F8 N2 -","- C10 H12 Br2 F8 N2 -","- C40 H48 Br8 F32 N8 -","4","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0652","0.0408","","","0.0554","0.0644","","","","","","0.934","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311936","6.0096","0.0004","10.4941","0.0008","14.5016","0.0011","92.051","0.006","101.375","0.006","90.507","0.006","895.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,6-Dibromoperfluorohexane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C12 H12 Br2 F12 N2 -","- C12 H12 Br2 F12 N2 -","- C24 H24 Br4 F24 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0694","0.0493","","","0.0961","0.1042","","","","","","1.128","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311937","6.03367","0.00019","10.4836","0.0005","16.4471","0.0009","88.785","0.004","84.126","0.003","89.724","0.003","1034.66","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","1,8-Dibromoperfluorooctane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C14 H12 Br2 F16 N2 -","- C14 H12 Br2 F16 N2 -","- C28 H24 Br4 F32 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0679","0.0497","","","0.1133","0.1222","","","","","","1.069","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311938","12.946","0.003","12.568","0.003","11.044","0.002","90","","115.18","0.03","90","","1626.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetrakis(μ-4-azaniumylbutanoato-\ κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-\ μ-chlorido-[diaquadichloridocopper(II)]-μ-chlorido] bis(perchlorate)]","","- C16 H40 Cl6 Cu3 N4 O18 -","- C16 H40 Cl6 Cu3 N4 O18 -","- C32 H80 Cl12 Cu6 N8 O36 -","2","0.5","YF3125","Bouheroum, Sofiane; Cherouana, Aouatef; Beghidja, Adel; Dahaoui, Slimane; Rabu, Pierre","A new copper(II) coordination polymer containing chains of interconnected paddle-wheel antiferromagnetic clusters.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1050","1055","10.1107/S2053229617013766","","","0.71073","MoKα","","0.0588","0.0436","","","0.1046","0.1094","","","","","","0.994","","","","has coordinates","246176","2020-10-21","18:00:00",""
"2311939","9.218","0.0009","17.4137","0.0018","12.1884","0.0012","90","","100.992","0.004","90","","1920.6","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pd -","- C16 H14 Cl2 F6 N2 O2 Pd -","- C64 H56 Cl8 F24 N8 O8 Pd4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0537","0.0483","","","0.1332","0.1359","","","","","","1.85","","","","has coordinates,has disorder","246177","2020-10-21","18:00:00",""
"2311940","9.274","0.003","17.393","0.006","12.319","0.004","90","","100.352","0.014","90","","1954.7","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pt -","- C16 H14 Cl2 F6 N2 O2 Pt -","- C64 H56 Cl8 F24 N8 O8 Pt4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.097","0.0645","","","0.159","0.1861","","","","","","1.091","","","","has coordinates,has disorder","246178","2020-10-21","18:00:00",""
"2311941","7.7401","0.0002","16.5086","0.0004","28.3013","0.0007","90","","90","","90","","3616.29","0.16","295","0.1","295","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum","","- C16 H16 Cl2 F4 N2 O2 Pd -","- C16 H16 Cl2 F4 N2 O2 Pd -","- C128 H128 Cl16 F32 N16 O16 Pd8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0298","0.022","","","0.0471","0.0507","","","","","","1.079","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311942","7.7215","0.0002","16.5892","0.0004","28.1692","0.0007","90","","90","","90","","3608.29","0.16","100","0.2","100","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 F4 N2 O2 Pt -","- C16 H16 Cl2 F4 N2 O2 Pt -","- C128 H128 Cl16 F32 N16 O16 Pt8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0245","0.0204","","","0.0416","0.0431","","","","","","1.115","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311943","24.39","0.003","11.871","0.0015","16.048","0.002","90","","96.325","0.004","90","","4618.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>)aquabis[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] 3-amino-4-carboxybenzenesulfonate 3.5-hydrate]","","- C38 H46 Cu N14 O15 S2 -","- C38 H46 Cu N14 O15 S2 -","- C152 H184 Cu4 N56 O60 S8 -","4","1","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0982","0.0612","","","0.1569","0.1792","","","","","","1.037","","","","has coordinates","246180","2020-10-21","18:00:00",""
"2311944","13.4947","0.0016","10.1948","0.0011","18.8909","0.0016","90","","134.327","0.005","90","","1859.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~2~-2-amino-4-sulfonatobenzoato-κ^3^<i>O</i>^4^:<i>N</i>,<i>O</i>^4'^)tetraaqua[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]dicopper(II)] tetrahydrate]","","- C28 H40 Cu2 N6 O18 S2 -","- C28 H40 Cu2 N6 O18 S2 -","- C56 H80 Cu4 N12 O36 S4 -","2","0.5","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0733","0.0424","","","0.0848","0.0939","","","","","","1.019","","","","has coordinates,has disorder","246180","2020-10-21","18:00:00",""
"2311945","4.1043","0.0002","11.0458","0.0004","12.0465","0.0004","90","","93.74","0.003","90","","544.97","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-thiouracil","2-Thiouracil","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C16 H16 N8 O4 S4 -","4","1","KU3205","Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Sanković, Krešimir","Structural and computational analysis of intermolecular interactions in a new 2-thiouracil polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1078","1086","10.1107/S205322961701542X","","","0.71073","MoKα","","0.0364","0.0297","","","0.0755","0.0807","","","","","","1.049","","","","has coordinates","246181","2020-10-21","18:00:00",""
"2311946","12.4912","0.0005","12.4912","0.0005","7.4526","0.0003","90","","90","","120","","1007.04","0.07","296","","296","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxotungstate)","","- Ag K7 O16 W4 -","- Ag K7 O16 W4 -","- Ag2 K14 O32 W8 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","powder diffraction","","1.5418","CuKα","","","","","","","","","","3.64","","","","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311947","12.4188","0.0002","12.4188","0.0002","7.4338","0.0002","90","","90","","120","","992.89","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxomolybdate)","","- Ag1.32 K6.68 Mo4 O16 -","- Ag1.318 K6.682 Mo4 O16 -","- Ag2.636 K13.364 Mo8 O32 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","","","0.71073","MoKα","","0.0181","0.0179","","","0.0402","0.0403","","","","","","1.12","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311948","6.9085","0.0002","8.4524","0.0002","17.9702","0.0005","101.801","0.0016","92.711","0.0016","109.829","0.0014","958.47","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium 4-hydroxy-3,5-dimethoxybenzoate monohydrate","","- C17 H21 N O8 -","- C17 H21 N O8 -","- C34 H42 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0729","0.0526","","","0.1536","0.1674","","","","","","1.055","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311949","7.244","0.0003","17.1615","0.0005","7.2706","0.0002","90","","98.806","0.002","90","","893.21","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium (<i>E</i>)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate","","- C18 H23 N O8 -","- C18 H23 N O8 -","- C36 H46 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0508","0.04","","","0.1031","0.1081","","","","","","1.065","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311950","9.188","0.005","9.308","0.005","10.887","0.005","113.56","0.02","90.782","0.018","116.173","0.016","745.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(2-Bromophenyl)-2-(1-methyl-1<i>H</i>-indole-3-carbonyl)acrylonitrile","","- C19 H13 Br N2 O -","- C19 H13 Br N2 O -","- C38 H26 Br2 N4 O2 -","2","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.022","0.0199","","","0.0477","0.0486","","","","","","1.066","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311951","13.728","0.006","14.901","0.006","15.507","0.006","90","","92.165","0.019","90","","3170","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>RS</i>)-2-(2-Bromobenzyl)-3-(1-methyl-1<i>H</i>-indol-3-yl)-\ 3-oxopropanenitrile","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0612","0.0341","","","0.0633","0.0721","","","","","","1.052","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311952","10.912","0.004","12.544","0.008","15.583","0.007","89.23","0.04","79.49","0.03","73.2","0.03","2006","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>RS</i>)-3-(1-benzyl-1<i>H</i>-indol-3-yl)-\ 2-(2-bromobenzyl)-3-oxopropanenitrile","","- C25 H19 Br N2 O -","- C25 H19 Br N2 O -","- C100 H76 Br4 N8 O4 -","4","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0695","0.0415","","","0.0747","0.0838","","","","","","1.023","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311953","19.406","0.009","8.773","0.004","23.028","0.009","90","","103.318","0.015","90","","3815","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(1-Acetyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl acetate","","- C22 H17 Br N2 O3 -","- C22 H17 Br N2 O3 -","- C176 H136 Br8 N16 O24 -","8","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0756","0.0558","","","0.1216","0.1355","","","","","","1.082","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311954","14.886","0.004","8.129","0.003","21.432","0.006","90","","104.638","0.012","90","","2509.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(1-Benzyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl benzoate","","- C32 H23 Br N2 O2 -","- C32 H23 Br N2 O2 -","- C128 H92 Br4 N8 O8 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0494","0.0359","","","0.0798","0.0855","","","","","","1.046","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311955","10.986","0.004","8.977","0.004","13.209","0.005","90","","97.14","0.017","90","","1292.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Benzoyl-3-(2-bromophenyl)acrylonitrile","","- C16 H10 Br N O -","- C16 H10 Br N O -","- C64 H40 Br4 N4 O4 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0254","0.0217","","","0.0511","0.0528","","","","","","1.108","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311956","13.5451","0.0018","13.889","0.0019","14.4514","0.0012","94.449","0.003","92.316","0.003","119.009","0.004","2361","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-<i>n</i>-butylammonium [bis(μ~2~-dimethyldithiocarbamato)dodeca-μ~3~-iodido-hexa-μ~2~-iodido-tetracopper(I)copper(II)hexalead(II)]]","","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","1","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.0847","0.0544","","","0.1138","0.1277","","","","","","1.071","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311957","17.5853","0.0009","18.1041","0.0008","13.0705","0.0006","90","","128.789","0.005","90","","3243.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly[[μ~3~-iodido-tri-μ~2~-iodido-iodido[bis(1,10-phenanthroline)copper(I)]copper(I)copper(II)lead(II)] hemiiodine]","","- C24 H16 Cu2 I6 N4 Pb -","- C24 H16 Cu2.0002 I6 N4 Pb -","- C96 H64 Cu8.0008 I24 N16 Pb4 -","4","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.063","0.0393","","","0.0759","0.0856","","","","","","1.006","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311958","7.1681","0.00008","9.28821","0.0001","13.42132","0.00015","88.3124","0.0005","85.6481","0.0005","69.7508","0.0005","835.927","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide benzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide benzene hemisolvate","","- C16 H9 Cl5 N O3 -","- C16 H9 Cl5 N O3 -","- C32 H18 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0543","0.0473","","","0.121","0.1243","","","","","","1.148","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311959","7.12429","0.00008","9.40484","0.00011","14.27988","0.00016","83.7014","0.0005","80.0916","0.0005","67.8388","0.0004","871.84","0.017","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide xylene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide xylene hemisolvate","","- C17 H11 Cl5 N O3 -","- C17 H11 Cl5 N O3 -","- C34 H22 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0414","0.0362","","","0.0841","0.0865","","","","","","1.122","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311960","6.92017","0.00008","9.71946","0.00011","13.98498","0.00017","86.3845","0.0005","85.4687","0.0005","65.8069","0.0005","854.849","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide toluene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide toluene hemisolvate","","- C16.5 H10 Cl5 N O3 -","- C16.5 H10 Cl5 N O3 -","- C33 H20 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0397","0.0361","","","0.1003","0.1028","","","","","","1.068","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311961","6.90927","0.00008","9.69846","0.0001","13.97198","0.00015","86.5557","0.0005","85.9678","0.0005","65.8305","0.0005","851.561","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide chlorobenzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide chlorobenzene hemisolvate","","- C16 H8.5 Cl5.5 N O3 -","- C16 H8.5 Cl5.5 N O3 -","- C32 H17 Cl11 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.036","0.0301","","","0.073","0.0757","","","","","","1.096","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311962","3.72856","0.00013","18.8381","0.0004","9.1981","0.0002","90","","101.337","0.003","90","","633.46","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(μ~2~-2,2'-bipyridyl-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-gold(I)potassium(I)]","","- C12 H8 Au K N4 -","- C12 H8 Au K N4 -","- C24 H16 Au2 K2 N8 -","2","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0168","0.0153","","","0.029","0.0296","","","","","","1.056","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311963","41.202","0.003","3.67714","0.00016","19.5967","0.0014","90","","116.232","0.009","90","","2663.2","0.4","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-(μ~2~-1,10-phenanthroline-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)gold(I)potassium(I)]","","- C14 H8 Au K N4 -","- C14 H8 Au K N4 -","- C112 H64 Au8 K8 N32 -","8","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0794","0.0329","","","0.034","0.0367","","","","","","0.74","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311964","4.6448","0.001","15.632","0.003","14.13","0.003","90","","91.632","0.01","90","","1025.5","0.4","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-1<i>H</i>-purin-6-one","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C36 H52 N20 O16 -","4","1","QP3002","Roque-Flores, Roxana L; Guzei, Ilia A.; Matos, Jivaldo do Rosario; Yu, Lian","Polymorphs of the antiviral drug ganciclovir.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1116","1120","10.1107/S2053229617016059","","","0.71073","MoKα","","0.0621","0.0535","","","0.1455","0.151","","","","","","1.022","","","","has coordinates","246188","2020-10-21","18:00:00",""
"2311965","19.9182","0.0009","19.9182","0.0009","19.9182","0.0009","116.98","0.002","116.98","0.002","116.98","0.002","3496.4","0.7","100","2","100","2","","","","","","","","4","R -3 :R","-P 3*","148","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-2'-Benzoyl-1-hexyl-2-oxo-\ 1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylic acid","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C168 H192 N12 O24 -","6","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0909","0.0539","","","0.1118","0.1273","","","","","","1.034","","","","has coordinates","246189","2020-10-21","18:00:00",""
"2311966","12.8","0.004","12.511","0.005","18.638","0.005","90","","99.325","0.012","90","","2945.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-1',2'-Bis(4-chlorobenzoyl)-5,7-dichloro-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine] dichloromethane 0.981-solvate","","- C28.981 H21.962 Cl5.962 N2 O3 -","- C28.981 H21.962 Cl5.962 N2 O3 -","- C115.924 H87.848 Cl23.848 N8 O12 -","4","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0319","0.0279","","","0.0671","0.0694","","","","","","1.038","","","","has coordinates,has disorder","246189","2020-10-21","18:00:00",""
"2311967","11.0485","0.0006","16.0249","0.0008","16.4318","0.0007","100.824","0.004","103.574","0.004","102.737","0.004","2668.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(isoquinolin-2-ium-4-yl)-2,2':6',2'-terpyridine-1,1''-diium] tris[tetrachloridozincate(II)] monohydrate","","- C48 H40 Cl12 N8 O Zn3 -","- C48 H40 Cl12 N8 O Zn3 -","- C96 H80 Cl24 N16 O2 Zn6 -","2","1","JX3001","Granifo, Juan; Suárez, Sebastián; Boubeta, Fernando; Baggio, Ricardo","Crystallographic and computational study of a network composed of [ZnCl<sub>4</sub>]<sup>2-</sup> anions and triply protonated 4'-functionalized terpyridine cations.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1121","1130","10.1107/S2053229617016308","","","0.71073","MoKα","","0.0689","0.0427","","","0.0798","0.0924","","","","","","0.926","","","","has coordinates","246190","2020-10-21","18:00:00",""
"2311968","9.1277","0.001","13.5001","0.0016","14.6344","0.0017","113.316","0.003","103.239","0.003","100.711","0.003","1533","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis{[1-(cyclohepta-2,4,6-trien-2-yl-1-ylidene-κ<i>C</i>^1^)-3-(2,6-diisopropylphenyl)imidazol-4-in-2-ylidene]palladium(II)} bis(pentaiodide) dichloromethane monosolvate","","- C45 H50 Br2 Cl2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","1","0.5","OV3101","Jandl, Christian; Pöthig, Alexander","Dimerization of a mixed-carbene Pd<sup>II</sup> dibromide complex by elemental iodine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1131","1136","10.1107/S2053229617016412","","","0.71073","MoKα","","0.0285","0.0233","","","0.0491","0.0509","","","","","","1.072","","","","has coordinates","246191","2020-10-21","18:00:00",""
"2311969","22.622","0.0004","7.1937","0.0002","13.5315","0.0007","90","","103.499","0.002","90","","2141.23","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium pyridine-2-carboxylate","","- C22 H24 Cl N5 O4 -","- C22 H24 Cl N5 O4 -","- C88 H96 Cl4 N20 O16 -","4","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","0.71073","MoKα","","0.064","0.0434","","","0.0935","0.1027","","","","","","1.022","","","","has coordinates","246192","2020-10-21","18:00:00",""
"2311970","7.8667","0.0004","11.9015","0.0007","14.4406","0.0009","66.859","0.006","85.085","0.004","81.332","0.005","1228.51","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium 2-(4-nitrophenyl)acetate","","- C24 H26 Cl N5 O6 -","- C24 H26 Cl N5 O6 -","- C48 H52 Cl2 N10 O12 -","2","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","1.54184","CuKα","","0.0906","0.0675","","","0.1888","0.2227","","","","","","1.026","","","","has coordinates,has disorder","246192","2020-10-21","18:00:00",""
"2311971","10.0831","0.0001","17.4525","0.0002","7.6133","0.0001","90","","99.48","0.001","90","","1321.46","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetone thiosemicarbazone-κ^2^<i>N</i>^1^,<i>S</i>)bis(isothiocyanato-κ<i>N</i>)zinc(II) monohydrate","","- C6 H11 N5 O S3 Zn -","- C6 H11 N5 O S3 Zn -","- C24 H44 N20 O4 S12 Zn4 -","4","1","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","1.54184","CuKα","","0.0275","0.0252","","","0.0674","0.0688","","","","","","1.055","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311972","21.8246","0.0008","5.0239","0.0002","21.6451","0.0008","90","","90.074","0.004","90","","2373.27","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquatetrakis(urea-κ<i>O</i>)zinc(II) tetrakis(isothiocyanato-κ<i>N</i>)zinc(II)","","- C8 H20 N12 O6 S4 Zn2 -","- C8 H20 N12 O6 S4 Zn2 -","- C32 H80 N48 O24 S16 Zn8 -","4","0.5","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","0.71073","MoKα","","0.0196","0.018","","","0.0488","0.0494","","","","","","1.063","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311973","7.9565","0.0003","8.5027","0.0003","11.0842","0.0003","77.857","0.003","76.632","0.003","62.158","0.004","640.51","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","FN3250","Suárez, Sebastián; Manzano, Veronica E.; Fantoni, Adolfo C.; Halac, Emilia; Baggio, Ricardo; Cukiernik, Fabio D.","A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1137","1143","10.1107/S2053229617016795","","","0.71073","MoKα","","0.0518","0.04","","","0.1023","0.1108","","","","","","1.019","","","","has coordinates","246194","2020-10-21","18:00:00",""
"2312016","5.4475","0.0005","22.545","0.002","5.5411","0.0005","90","","95.446","0.002","90","","677.45","0.11","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","Silver(I) L-valine","<i>catena</i>-Poly[silver(I)-μ-<i>L</i>-valinato-κ^2^<i>N</i>:<i>O</i>]","","- C5 H10 Ag N O2 -","- C5 H10 Ag N O2 -","- C20 H40 Ag4 N4 O8 -","4","2","IS5463","Takagi, Yoshitaka; Okamoto, Youhei; Inoue, Chisato; Kasuga, Noriko Chikaraishi; Nomiya, Kenji","Crystal structure of <i>catena</i>-poly[silver(I)-μ-l-valinato-κ<sup>2</sup><i>N</i>:<i>O</i>].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","354","357","10.1107/S2056989017001815","","","0.71073","MoKα","","0.0222","0.022","","","0.0539","0.054","","","","","","1.154","","","","has coordinates","246243","2020-10-21","18:00:00",""
"2312017","12.9336","0.0004","14.5249","0.0004","19.9141","0.0005","90","","90","","90","","3741.05","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{(<i>S</i>)-2-[(2-hydroxybenzyl)amino]-4-methylpentanoato-κ^2^<i>N</i>,<i>O</i>}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C38 H44 N4 Ni O6 -","- C38 H44 N4 Ni O6 -","- C152 H176 N16 Ni4 O24 -","4","1","IM2482","Faizi, Md Serajul Haque; Dege, Necmi; Malinkin, Sergey","Crystal structure and DFT study of bis-{(<i>S</i>)-2-[(2-hy-droxy-benzyl)-amino]-4-methyl-penta-noato-κ<sup>2</sup><i>N</i>,<i>O</i>}(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1393","1397","10.1107/S2056989017012014","","","0.71073","MoKα","","0.0702","0.0432","","","0.1177","0.133","","","","","","0.948","","","","has coordinates,has Fobs","246247","2020-10-21","18:00:00",""
"2312018","9.0998","0.0008","9.3544","0.001","15.508","0.002","84.176","0.001","75.54","0.008","61.067","0.006","1118.4","0.2","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","{μ~2~-<i>N</i>,<i>N</i>'-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate","","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","1","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0323","0.031","","","0.0824","0.0839","","","","","","1.049","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312019","31.048","0.004","16.923","0.002","10.3453","0.0014","90","","100.361","0.002","90","","5347","1.2","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{μ~2~-<i>N</i>,<i>N</i>'-Bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(di-<i>n</i>-propylcarbamodithioato)dizinc(II)","","- C42 H70 N8 O2 S8 Zn2 -","- C42 H70 N8 O2 S8 Zn2 -","- C168 H280 N32 O8 S32 Zn8 -","4","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0362","0.0329","","","0.0755","0.0773","","","","","","1.087","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312020","6.2899","0.0013","15.167","0.003","17.938","0.004","90","","90","","90","","1711.3","0.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(Dibenzofuran-4-yl)-2'-deoxyuridine","","- C21 H18 N2 O6 -","- C21 H18 N2 O6 -","- C84 H72 N8 O24 -","4","1","DS2247","Gayakhe, Vijay; Kapdi, Anant Ramakant; Borozdina, Yulia; Schulzke, Carola","Crystal structure of 5-(dibenzo-furan-4-yl)-2'-deoxy-uridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1493","1496","10.1107/S2056989017013111","","","0.71073","MoKα","","0.0848","0.057","","","0.1291","0.1434","","","","","","0.962","","","","has coordinates,has Fobs","246249","2020-10-21","18:00:00",""
"2312021","5.95","0.0002","6.765","0.0002","8.4363","0.0003","90","","96.746","0.002","90","","337.225","0.019","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyrrole","","- C8 H8 N2 -","- C8 H8 N2 -","- C16 H16 N4 -","2","0.5","HB7692","Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N.","Crystal structure of 2,2'-bi-pyrrole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1517","1519","10.1107/S2056989017013433","","","1.54178","CuKα","","0.0367","0.0337","","","0.0947","0.0981","","","","","","1.078","","","","has coordinates,has Fobs","246250","2020-10-21","18:00:00",""
"2312022","11.0965","0.0011","19.12","0.002","7.5453","0.0008","90","","91.0813","0.0019","90","","1600.6","0.3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Dimethylaminopyridinium dimethylammonium tetrachloridolead(II)","","- C9 H19 Cl4 N3 Pb -","- C9 H19 Cl4 N3 Pb -","- C36 H76 Cl16 N12 Pb4 -","4","0.5","NR2065","Benson, Cassidy A.; Bateman, Gage; Cox, Jordan M.; Benedict, Jason B.","Hybrid organic-inorganic crystal structure of 4-(di-methyl-amino)-pyridinium di-methyl-ammonium tetra-chlorido-lead(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1670","1673","10.1107/S2056989017014062","","","0.71073","MoKα","","0.0136","0.013","","","0.0332","0.0335","","","","","","1.036","","","","has coordinates,has Fobs","246251","2020-10-21","18:00:00",""
"2312023","7.66978","0.00018","8.7286","0.00013","23.7524","0.0004","90","","98.7356","0.0016","90","","1571.69","0.05","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","4,6-Dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-\ 2<i>H</i>-pyran-2-yl]sulfanyl}nicotinonitrile","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","QM2120","Masoud, Doaa M.; Hammad, Sherif F.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4,6-dimethyl-2-{[3,4,5-trihy-droxy-6-(hy-droxy-meth-yl)tetra-hydro-2<i>H</i>-pyran-2-yl]sulfan-yl}nicotino-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1751","1754","10.1107/S2056989017015213","","","0.71073","MoKα","","0.0256","0.0241","","","0.0621","0.0631","","","","","","1.054","","","","has coordinates,has Fobs","246252","2020-10-21","18:00:00",""
"3000098","12.5269","","12.5269","","12.7181","","90","","90","","120","","1728.38","","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0366","0.0311","","","0.0341","0.0352","","","","1.22","1.22","1.17","","","","has coordinates","265307","2021-05-18","16:36:57",""
"3000099","12.5517","0.0019","12.5517","0.0019","12.985","0.003","90","","90","","120","","1771.6","0.6","693","","693","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","3","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000100","12.5806","0.0014","12.5806","0.0014","12.7947","0.0018","90","","90","","120","","1753.7","0.4","323","","323","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0296","0.0293","","","0.0382","0.0383","","","","3.3","3.3","3.28","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000101","12.5685","0.0014","12.5685","0.0014","12.7714","0.0018","90","","90","","120","","1747.2","0.4","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0244","0.0242","","","0.0304","0.0305","","","","2.67","2.67","2.66","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000102","12.582","0.0015","12.582","0.0015","12.7519","0.0019","90","","90","","120","","1748.3","0.4","223","","223","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.024","0.0237","","","0.0294","0.0295","","","","2.55","2.55","2.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000103","12.5828","0.0015","12.5828","0.0015","12.7291","0.0018","90","","90","","120","","1745.4","0.4","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0294","0.0293","","","0.0392","0.0392","","","","3.5","3.5","3.49","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000104","12.5868","0.0018","12.5868","0.0018","12.709","0.002","90","","90","","120","","1743.7","0.4","123","","123","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0246","0.0245","","","0.0315","0.0315","","","","2.84","2.84","2.84","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000105","12.5761","0.0003","12.5761","0.0003","12.6453","0.0009","90","","90","","120","","1732.02","0.14","98","","98","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0342","0.0341","","","0.0449","0.0449","","","","4","4","4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000106","7.242","0.006","7.242","0.006","39.25","0.002","90","","90","","120","","1783","2","673","","673","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000107","7.227","0.006","7.227","0.006","39.031","0.002","90","","90","","120","","1765","2","298","","298","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000108","8.555","0.0012","8.555","0.0012","8.443","0.0013","90","","90","","120","","535.14","0.13","98","","98","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0261","0.0226","","","0.0255","0.0259","","","","1.56","1.56","1.52","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000109","8.5592","0.0012","8.5592","0.0012","8.4485","0.0013","90","","90","","120","","536.01","0.13","123","","123","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0282","0.0228","","","0.0234","0.0241","","","","1.37","1.37","1.34","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000110","8.5852","0.0013","8.5852","0.0013","8.4855","0.0014","90","","90","","120","","541.64","0.15","173","","173","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0251","0.0215","","","0.0224","0.0229","","","","1.34","1.34","1.31","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000111","8.5683","0.0012","8.5683","0.0012","8.4633","0.0013","90","","90","","120","","538.1","0.13","223","","223","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0253","0.0214","","","0.0215","0.022","","","","1.25","1.25","1.22","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000112","8.5843","0.0009","8.5843","0.0009","8.486","0.002","90","","90","","120","","541.56","0.15","298","","298","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0269","0.0226","","","0.0231","0.0236","","","","1.32","1.32","1.27","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000113","8.5987","0.0013","8.5987","0.0013","8.5052","0.0015","90","","90","","120","","544.6","0.15","348","","348","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0313","0.0252","","","0.0229","0.0237","","","","1.23","1.23","1.19","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000114","8.478","0.005","7.398","0.004","5.22","0.003","90","","90","","90","","327.4","0.3","98","","98","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0405","0.0285","","","0.0277","0.029","","","","1.49","1.49","1.39","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000115","8.4386","0.0011","7.3725","0.0016","5.1954","0.0019","90","","90","","90","","323.22","0.14","123","","123","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0323","0.0248","","","0.0235","0.0245","","","","1.33","1.33","1.26","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000116","8.4524","0.0012","7.3868","0.0018","5.202","0.002","90","","90","","90","","324.79","0.15","148","","148","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0394","0.0292","","","0.0289","0.0298","","","","1.53","1.53","1.4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000117","8.4437","0.0013","7.377","0.0019","5.189","0.002","90","","90","","90","","323.22","0.16","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0416","0.0262","","","0.0248","0.0265","","","","1.36","1.36","1.3","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000118","8.501","0.0012","7.4043","0.0018","5.211","0.002","90","","90","","90","","328","0.16","198","","198","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0373","0.0259","","","0.0235","0.0245","","","","1.23","1.23","1.14","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000119","8.446","0.0011","7.3749","0.0017","5.175","0.002","90","","90","","90","","322.34","0.15","223","","223","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0385","0.027","","","0.0255","0.0268","","","","1.34","1.34","1.25","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000120","8.4605","0.0011","7.3809","0.0016","5.1703","0.0019","90","","90","","90","","322.87","0.14","248","","248","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.047","0.0348","","","0.0343","0.0352","","","","1.72","1.72","1.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000121","8.4453","0.001","7.3653","0.0015","5.1564","0.0019","90","","90","","90","","320.74","0.14","273","","273","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0514","0.0365","","","0.0393","0.0401","","","","1.98","1.98","1.77","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000122","8.5109","0.0011","7.4112","0.0017","5.173","0.002","90","","90","","90","","326.29","0.15","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0462","0.0321","","","0.033","0.034","","","","1.63","1.63","1.46","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000125","9.06956","0.00014","5.51771","0.00015","7.27476","0.00012","90","","90","","90","","364.052","0.013","303","","303","","","","","","","","","4","P n m a","-P 2ac 2n","62","radium-barium sulfate","","","- Ba O16 Ra3 S4 -","- Ba O16 Ra3 S4 -","- Ba O16 Ra3 S4 -","1","0.125","","Matyskin, Artem V.; Ylmen, Rikard; Lagerkvist, Petra; Ramebäck, Henrik; Ekberg, Christian","Crystal structure of radium sulfate: An X-ray powder diffraction and density functional theory study","Journal of Solid State Chemistry","2017","253","","15","20","10.1016/j.jssc.2017.05.024","powder diffraction","","1.5418","CuKα","","","","","","","","","7.2267","1.507","","","","","","","has coordinates","197073","2020-10-21","18:00:00",""
"3500064","3.48379","0.00007","5.2591","0.00008","10.42762","0.00017","90","","93.0959","0.0009","90","","190.772","0.006","295","","295","","","","","","","","Sigma-Aldrich","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 Na2 O4 -","- C2 Na2 O4 -","- C4 Na4 O8 -","2","0.5","","Armel Le Bail","Rietveld refinement of the structure of Na2C2O4","Personal communication to COD","2017","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","3.6282","","","","","","","","has coordinates","283804","2023-05-16","14:26:40",""
"3500065","14.8349","0.00019","11.71072","0.00016","11.61249","0.00016","90","","90.9883","0.0008","90","","2017.11","0.05","295","","295","","","","","","","","Solid state synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- Cr O8 Pb5 -","- Cr O8 Pb5 -","- Cr8 O64 Pb40 -","8","2","","Armel Le Bail","Rietveld refinement of the crystal structure of Pb5CrO8 from neutron powder diffraction data","Personal communication to COD","2017","","","","","","powder diffraction","neutron","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.8622","","","","","","","","has coordinates","189841","2020-10-21","18:00:00",""
"3500066","4.4651","0.0001","13.7593","0.0004","20.7282","0.0007","90","","90.857","0.001","90","","1273.33","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethanone, 2-bromo-1-(4-pyrenyl)-","","- C18 H11 Br O -","- C18 H11 Br O -","- C72 H44 Br4 O4 -","4","1","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.023","0.0216","","","0.0588","0.06","","","","","","1.086","","","","has coordinates,has Fobs","190349","2020-10-21","18:00:00",""
"3500067","11.8359","0.0004","11.8359","0.0004","11.8492","0.0004","90","","90","","120","","1437.55","0.08","150","","150","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- Al Cl3 H12 O6 -","- Al Cl3 H12 O6 -","- Al6 Cl18 H72 O36 -","6","","","Maris, Thierry","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0242","0.024","","","0.0562","0.0563","","","","","","1.263","","","","has coordinates,has Fobs","197160","2020-10-21","18:00:00",""
"3500068","15.0049","0.0006","7.5241","0.0003","13.8287","0.0009","90","","117.323","0.001","90","","1387.06","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,2-Benzenedimethanol","","","- C8 H10 O2 -","- C8 H10 O2 -","- C64 H80 O16 -","8","1","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0355","0.0344","","","0.0923","0.0935","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","197524","2020-10-21","18:00:00",""
"3500069","15.1054","0.0008","5.0745","0.0003","10.7172","0.0006","90","","91.721","0.002","90","","821.13","0.08","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H32 Cl2 N2 O -","- C12 H32 Cl2 N2 O -","- C24 H64 Cl4 N4 O2 -","2","0.5","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0321","0.0297","","","0.0771","0.0792","","","","","","1.058","","","","has coordinates,has Fobs","197525","2020-10-21","18:00:00",""
"3500070","13.1602","0.0007","9.0351","0.0005","11.5554","0.0009","90","","121.185","0.001","90","","1175.44","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Bromo-2(1H)-pyridone","","- C5 H4 Br N O -","- C5 H4 Br N O -","- C40 H32 Br8 N8 O8 -","8","1","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0375","0.0373","","","0.1057","0.1058","","","","","","1.165","","","","has coordinates,has Fobs","197526","2020-10-21","18:00:00",""
"3500071","7.4485","0.0006","6.1845","0.0005","13.4791","0.0013","90","","95.757","0.003","90","","617.79","0.09","150","","150","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C7 H3 N3 -","- C7 H3 N3 -","- C28 H12 N12 -","4","0.5","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0527","0.0509","","","0.1375","0.1412","","","","","","1.085","","","","has coordinates,has Fobs","197527","2020-10-21","18:00:00",""
"3500073","13.379","0.003","13.929","0.003","15.311","0.003","80.61","0.02","71.99","0.02","71.82","0.02","2571","1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","'[Mn(H~2~O)~6~]~2~[SiO~4~(MoO~3~)~12~]^.^11H~2~O","","","- H46 Mn2 Mo12 O63 Si -","- Mn2 Mo12 O63.004 Si -","- Mn4 Mo24 O126.008 Si2 -","2","1","","Olmstead, Marilyn","","Personal communication to COD","2017","","","","","","","","0.71073","MoKα","","0.0857","0.063","","","0.1358","0.1533","","","","","","1.04","","","","has coordinates,has disorder","198602","2020-10-21","18:00:00",""
"4002699","6.341","0.0005","6.341","0.0005","22.3947","0.0018","90","","90","","90","","900.45","0.12","300","2","300","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Na2 Sn5 Zn -","- Na2 Sn5 Zn -","- Na8 Sn20 Zn4 -","4","0.25","","Kanno, Masahiro; Yamada, Takahiro; Ikeda, Takuji; Nagai, Hideaki; Yamane, Hisanori","Thermoelectric Properties of Na2ZnSn5 Dimorphs with Na Atoms Disordered in Tunnels","Chemistry of Materials","2017","29","2","859","","10.1021/acs.chemmater.6b04896","","","0.71073","MoKα","","0.0149","0.0131","","","0.0216","0.0219","","","","","","1.192","","","","has coordinates","191332","2020-10-21","18:00:00",""
"4002700","6.355","0.006","3.723","0.003","7.749","0.007","90","","96.919","0.018","90","","182","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Gd H2 N O5 -","- Gd H2 N O5 -","- Gd2 H4 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0213","0.0205","","","0.0509","0.0511","","","","","","1.077","","","","has coordinates","190414","2020-10-21","18:00:00",""
"4002701","6.495","0.004","3.967","0.002","7.784","0.005","90","","99.913","0.011","90","","197.6","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H2 La N O5 -","- H2 La N O5 -","- H4 La2 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0148","0.0137","","","0.0293","0.0296","","","","","","1.069","","","","has coordinates","190415","2020-10-21","18:00:00",""
"4002702","10.4084","0.0003","10.4084","0.0003","7.2791","0.0002","90","","90","","120","","682.93","0.03","298","2","298","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- Cl Ge4 Na O16 Sr2 V3 -","- Cl Ge4 Na0.9999 O16 Sr2.0001 V3 -","- Cl2 Ge8 Na1.9998 O32 Sr4.0002 V6 -","2","0.166667","","Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.","Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl","Chemistry of Materials","2017","29","3","1404","","10.1021/acs.chemmater.6b05320","","","0.71073","MoKα","","0.0365","0.0365","","","0.1042","0.1042","","","","","","1.094","","","","has coordinates","193406","2020-10-21","18:00:00",""
"4002703","10.4679","0.0007","10.4679","0.0007","7.2427","0.0005","90","","90","","120","","687.31","0.08","298","2","298","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- Cl Ge4 K O16 Sr2 V3 -","- Cl Ge4 K0.9999 O16 Sr2.0001 V3 -","- Cl2 Ge8 K1.9998 O32 Sr4.0002 V6 -","2","0.166667","","Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.","Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl","Chemistry of Materials","2017","29","3","1404","","10.1021/acs.chemmater.6b05320","","","0.71073","MoKα","","0.038","0.0379","","","0.0846","0.0846","","","","","","1.057","","","","has coordinates","193406","2020-10-21","18:00:00",""
"4002704","10.8797","0.0012","10.8797","0.0012","6.9926","0.0015","90","","90","","120","","716.81","0.19","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Bi3 F3 I4 O13 -","- Bi3 F3 I4 O13 -","- Bi6 F6 I8 O26 -","2","0.166667","","Zhang, Min; Su, Xin; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie","Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response","Chemistry of Materials","2017","29","3","945","","10.1021/acs.chemmater.6b05468","","","0.71073","MoKα","","0.0304","0.029","","","0.0657","0.0664","","","","","","1.042","","","","has coordinates","193409","2020-10-21","18:00:00",""
"4002705","5.5744","0.0002","9.8439","0.0003","6.017","0.0002","90","","97.252","0.001","90","","327.535","0.019","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Ca1.88 Li2 Mg2 N6 Si2 Sr0.12 -","- Ca1.8738 Li2 Mg2 N6 Si2 Sr0.1262 -","- Ca3.7476 Li4 Mg4 N12 Si4 Sr0.2524 -","2","0.25","","Strobel, Philipp; Weiler, Volker; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Luminescence of the Narrow-Band Red Emitting Nitridomagnesosilicate Li2(Ca1‒xSrx)2[Mg2Si2N6]:Eu2+ (x = 0‒0.06)","Chemistry of Materials","2017","29","3","1377","","10.1021/acs.chemmater.6b05196","","","0.71073","MoKα","","0.0211","0.0181","","","0.0449","0.0467","","","","","","1.152","","","","has coordinates","193407","2020-10-21","18:00:00",""
"4002706","10.518","0.0008","10.518","0.0008","9.5385","0.0012","90","","90","","120","","913.85","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs Ga Se6 Sn2 -","- Cs Ga0.99 Se6 Sn2.01 -","- Cs3 Ga2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.016","0.0153","","","0.0297","0.0298","","","","","","0.961","","","","has coordinates,has disorder","191235","2020-10-21","18:00:00",""
"4002707","10.652","0.0005","10.652","0.0005","9.6882","0.0008","90","","90","","120","","952","0.1","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs In Se6 Sn2 -","- Cs In0.99 Se6 Sn2.01 -","- Cs3 In2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.0193","0.0184","","","0.0335","0.0336","","","","","","1.013","","","","has coordinates","191235","2020-10-21","18:00:00",""
"4002708","18.24578","0.00012","23.5847","0.0002","23.608","0.00017","90","","99.6853","0.0007","90","","10014.2","0.13","293.53","0.1","293.53","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Ag B9 N2 O0.5 P2 -","- C48 H59 Ag B9 N2 O0.5 P2 -","- C384 H472 Ag8 B72 N16 O4 P16 -","8","2","","Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Czerwieniec, Rafał; Yersin, Hartmut","Design Strategy for Ag(I)-Based Thermally Activated Delayed Fluorescence Reaching an Efficiency Breakthrough","Chemistry of Materials","2017","29","4","1708","","10.1021/acs.chemmater.6b05175","","x-ray","1.54184","CuKα","","0.033","0.0298","","","0.083","0.0854","","","","","","1.019","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4002709","5.2878","0.0003","21.1901","0.0012","9.6973","0.0005","90","","90","","90","","1086.57","0.1","293","2","293","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Mg4 O21 P6 Rb4 -","- Mg4 O21 P6 Rb4 -","- Mg8 O42 P12 Rb8 -","2","0.25","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications","Chemistry of Materials","2017","29","4","1845","","10.1021/acs.chemmater.7b00167","","","0.71073","MoKα","","0.0179","0.0174","","","0.0398","0.04","","","","","","1.101","","","","has coordinates","193404","2020-10-21","18:00:00",""
"4002710","5.0933","0.0007","5.0933","0.0007","30.557","0.006","90","","90","","120","","686.5","0.19","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu5 Eu In -","- Cu5 Eu In -","- Cu30 Eu6 In6 -","6","0.166667","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0746","0.0504","","","0.0709","0.0756","","","","","","1.215","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002711","9.12","0.002","5.6453","0.0014","11.437","0.003","90","","90","","90","","588.8","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag5 Eu In -","- Ag5 Eu In -","- Ag20 Eu4 In4 -","4","0.5","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0511","0.0363","","","0.0773","0.083","","","","","","1.051","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002712","7.174","0.0003","7.174","0.0003","5.4425","0.0003","90","","90","","90","","280.11","0.02","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au5.01 Eu In0.99 -","- Au5.01 Eu In0.99 -","- Au10.02 Eu2 In1.98 -","2","0.0625","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0265","0.0228","","","0.0395","0.0403","","","","","","1.187","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002713","18.71","0.005","7.807","0.002","10.452","0.003","90","","90","","90","","1526.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Cu2 N12 O9 -","- C26 H36 Cu2 N12 O9 -","- C52 H72 Cu4 N24 O18 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0376","0.0347","","","0.0927","0.0973","","","","","","1.047","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4002714","18.7672","0.001","7.6504","0.0004","10.1885","0.0005","90","","90","","90","","1462.83","0.13","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 Cu2 N12 O6 -","- C26 H30 Cu2 N12 O6 -","- C52 H60 Cu4 N24 O12 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0608","0.043","","","0.0822","0.0941","","","","","","1.08","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4002715","8.0919","0.0013","8.0919","0.0013","22.4","0.005","90","","90","","120","","1270.2","0.4","350","1","350","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 N2 O6 Zn -","- C4.0002 H10.0008 N2.0001 O6 Zn -","- C24.0012 H60.0048 N12.0006 O36 Zn6 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0163","0.0144","","","0.0379","0.0386","","","","","","1.031","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002716","8.0764","0.0003","8.0764","0.0003","22.3715","0.001","90","","90","","120","","1263.75","0.09","300","1","300","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0217","0.0189","","","0.0497","0.0514","","","","","","1.027","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002717","8.0633","0.0003","8.0633","0.0003","22.2638","0.001","90","","90","","120","","1253.59","0.09","180","1","179.91","0.18","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0141","0.0133","","","0.0335","0.0338","","","","","","1.073","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002718","8.0356","0.0004","8.0356","0.0004","22.7207","0.0016","90","","90","","120","","1270.54","0.13","345","1","345","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mg N2 O6 -","- C4.0002 H10.0008 Mg N2.0001 O6 -","- C24.0012 H60.0048 Mg6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0496","0.0339","","","0.0715","0.0776","","","","","","1.113","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002719","8.0379","0.0003","8.0379","0.0003","22.6907","0.0012","90","","90","","120","","1269.59","0.09","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0373","0.0287","","","0.0591","0.0627","","","","","","0.981","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002720","8.0249","0.0004","8.0249","0.0004","22.6361","0.0016","90","","90","","120","","1262.44","0.13","240","1","240","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0363","0.0278","","","0.0595","0.0633","","","","","","1.011","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002721","8.198","0.002","8.2","0.002","8.933","0.003","63.28","0.03","63.31","0.03","60.06","0.03","444.8","0.3","100","0.4","100","0.4","","","","","","","","5","P 1","P 1","1","","","","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","1","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.1014","0.0892","","","0.2349","0.2484","","","","","","1.052","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002722","8.216","0.0003","8.216","0.0003","23.0005","0.001","90","","90","","120","","1344.59","0.09","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mn N2 O6 -","- C4.0002 H10.0008 Mn N2.0001 O6 -","- C24.0012 H60.0048 Mn6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0228","0.0198","","","0.05","0.0512","","","","","","1.191","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002723","8.2117","0.0002","8.2117","0.0002","22.9478","0.0007","90","","90","","120","","1340.1","0.06","290","1","290","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0189","0.0164","","","0.0454","0.0472","","","","","","0.973","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002724","8.2091","0.0003","8.2091","0.0003","22.8761","0.0008","90","","90","","120","","1335.07","0.08","230","1","230","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0176","0.0154","","","0.0386","0.0402","","","","","","0.966","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002725","8.1338","0.0003","8.1338","0.0003","22.6559","0.0008","90","","90","","120","","1298.07","0.08","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Fe N2 O6 -","- C4.0002 H10.0008 Fe N2.0001 O6 -","- C24.0012 H60.0048 Fe6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0244","0.0197","","","0.0499","0.0517","","","","","","1.178","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002726","8.1171","0.0002","8.1171","0.0002","22.5999","0.0007","90","","90","","120","","1289.55","0.06","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0229","0.0189","","","0.0399","0.0416","","","","","","1.048","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002727","8.112","0.0002","8.112","0.0002","22.5371","0.0006","90","","90","","120","","1284.35","0.06","200","1","200","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0207","0.018","","","0.039","0.0401","","","","","","1.019","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002728","15.8349","0.0011","5.962","0.0004","12.2784","0.0008","90","","111.968","0.007","90","","1075.01","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F2 Fe Na2 O4 -","- C2 F2 Fe Na2 O4 -","- C16 F16 Fe8 Na16 O32 -","8","1","","Yao, Wenjiao; Sougrati, Moulay-Tahar; Hoang, Khang; Hui, Jianing; Lightfoot, Philip; Armstrong, A. Robert","Na2Fe(C2O4)F2: A New Iron-Based Polyoxyanion Cathode for Li/Na Ion Batteries","Chemistry of Materials","2017","29","5","2167","","10.1021/acs.chemmater.6b04859","","","0.71075","MoKα","","0.0298","0.0217","","","0.0692","0.079","","","","","","0.646","","","","has coordinates","194779","2020-10-21","18:00:00",""
"4002729","14.8082","0.0005","15.8608","0.0005","12.5156","0.0004","90","","90","","90","","2939.54","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Na2In4SSe6","","","- In8 Na4 S2 Se12 -","- In8 Na4 S2 Se12 -","- In32 Na16 S8 Se48 -","4","1","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0328","0.0316","","","0.0742","0.0747","","","","","","1.078","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002730","14.1","0.007","14.1","0.007","17.01","0.006","90","","90","","120","","2929","2","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","NaGaIn2Se5","","","- Ga2 In4 Na2 Se10 -","- Ga2.01 In3.99 Na2 Se10 -","- Ga12.06 In23.94 Na12 Se60 -","6","0.333333","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0195","0.0161","","","0.0307","0.0313","","","","","","0.961","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002731","24.5815","0.0006","24.5815","0.0006","17.4269","0.0008","90","","90","","120","","9119.4","0.5","293","2","293","2","","","","","","","","3","P 32","P 32","145","NaIn3Se5","","","- In3 Na Se5 -","- In3 Na Se5 -","- In108 Na36 Se180 -","36","12","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71075","MoKα","","0.052","0.0466","","","0.0838","0.0864","","","","","","0.988","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002732","3.9365","0.0005","3.6131","0.0005","7.5421","0.0009","90","","90","","90","","107.27","0.02","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","titannium nitride","- Ca N2 Ti -","- Ca N2 Ti -","- Ca2 N4 Ti2 -","2","0.25","","Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran","High-Dielectric-Permittivity Layered Nitride CaTiN2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05226","","","1.5397","","","","","","","","","","","","","","","","","","has coordinates","192856","2020-10-21","18:00:00",""
"4002733","3.9365","0.0006","3.6137","0.0005","7.543","0.001","90","","90","","90","","107.3","0.03","293","2","293","2","","","","","","","","3","P 21 m n","P -2ab 2ab","31","","","titannium nitride","- Ca N2 Ti -","- Ca N2 Ti -","- Ca2 N4 Ti2 -","2","0.5","","Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran","High-Dielectric-Permittivity Layered Nitride CaTiN2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05226","","","1.5397","","","","","","","","","","","","","","","","","","has coordinates","192856","2020-10-21","18:00:00",""
"4002734","8.191","0.0009","5.8764","0.0005","32.111","0.003","90","","92.698","0.003","90","","1543.9","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C72 H64 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.1698","0.0478","","","0.0879","0.1185","","","","","","0.871","","","","has coordinates","192857","2020-10-21","18:00:00",""
"4002735","4.6426","0.0006","7.6517","0.0009","13.444","0.002","86.187","0.004","82.177","0.005","84.247","0.005","470.08","0.11","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 S2 -","- C22 H24 S2 -","- C22 H24 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71069","MoKα","","0.1661","0.0493","","","0.1147","0.1956","","","","","","0.903","","","","has coordinates","192858","2020-10-21","18:00:00",""
"4002736","4.7594","","8.6807","","13.1142","","89.7304","","80.9378","","77.6887","","522.511","","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 S2 -","- C24 H28 S2 -","- C24 H28 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.054","0.0399","","","0.1146","0.1531","","","","","","1.149","","","","has coordinates","192859","2020-10-21","18:00:00",""
"4002737","7.8271","0.0004","8.3402","0.0004","12.3259","0.0007","90","","108.838","0.0015","90","","761.53","0.07","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C36 H32 S4 -","2","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.7093","MoKα","","0.0835","0.0446","","","0.1225","0.1479","","","","","","1.101","","","","has coordinates","192860","2020-10-21","18:00:00",""
"4002738","5.97616","0.00012","7.9219","0.0002","43.227","0.001","88.0866","0.0011","87.4616","0.001","89.8239","0.0011","2043.33","0.08","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H52 S4 -","- C46 H52 S4 -","- C92 H104 S8 -","2","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","1.54187","CuKα","","0.1179","0.0709","","","0.1532","0.1869","","","","","","0.984","","","","has coordinates","192861","2020-10-21","18:00:00",""
"4002739","4.6827","0.0011","7.453","0.002","12.48","0.004","76.954","0.005","85.196","0.006","84.362","0.005","421.4","0.2","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C20 H20 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71069","MoKα","","0.074","0.0539","","","0.1477","0.1774","","","","","","1.108","","","","has coordinates","192862","2020-10-21","18:00:00",""
"4002740","12.7445","0.0016","13.6694","0.0017","7.1892","0.0009","90","","112.459","0.002","90","","1157.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mn1.67 Mo3 Na2.67 O12 -","- Mn1.66 Mo3 Na2.67 O12 -","- Mn6.64 Mo12 Na10.68 O48 -","4","0.5","","Gao, Jianhua; Zhao, Pan; Feng, Kai","Na2.67Mn1.67(MoO4)3: A 3.45 V Alluaudite-Type Cathode Candidate for Sodium-Ion Batteries","Chemistry of Materials","2017","29","3","940","","10.1021/acs.chemmater.6b05308","","","0.71073","MoKα","","0.0213","0.0205","","","0.0543","0.0547","","","","","","1.225","","","","has coordinates","192863","2020-10-21","18:00:00",""
"4002741","11.962","0.006","13.929","0.008","4.427","0.002","90","","90","","90","","737.6","0.7","273","2","273","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca3.6 Sb6 Yb1.4 -","- Al2 Ca3.6 Sb6 Yb1.4 -","- Al4 Ca7.2 Sb12 Yb2.8 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0454","0.0321","","","0.0753","0.0825","","","","","","1.134","","","","has coordinates","192864","2020-10-21","18:00:00",""
"4002742","12.0006","0.0003","13.9925","0.0004","4.4457","0.0001","90","","90","","90","","746.51","0.03","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca1.55 Sb6 Yb3.45 -","- Al2 Ca1.553 Sb6 Yb3.447 -","- Al4 Ca3.106 Sb12 Yb6.894 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0284","0.0217","","","0.0394","0.0408","","","","","","1.127","","","","has coordinates","192865","2020-10-21","18:00:00",""
"4002743","12.0321","0.0002","14.023","0.0003","4.4532","0.0001","90","","90","","90","","751.37","0.03","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca2.79 Sb6 Yb2.22 -","- Al2 Ca2.784 Sb6 Yb2.216 -","- Al4 Ca5.568 Sb12 Yb4.432 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0225","0.0214","","","0.0536","0.0541","","","","","","1.219","","","","has coordinates","192866","2020-10-21","18:00:00",""
"4002744","7.3254","0.0006","22.9041","0.0017","4.4094","0.0004","90","","90","","90","","739.82","0.11","273","2","273","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca1.58 Sb6 Yb3.42 -","- Al2 Ca1.586 Sb6 Yb3.414 -","- Al4 Ca3.172 Sb12 Yb6.828 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0327","0.03","","","0.0624","0.0643","","","","","","1.212","","","","has coordinates","192867","2020-10-21","18:00:00",""
"4002745","9.9762","0.0009","7.8431","0.0008","28.56","0.003","90","","90.04","0.003","90","","2234.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N O2 S -","- C31 H19 N O2 S -","- C124 H76 N4 O8 S4 -","4","1","","Guo, Jingjing; Li, Xiang-Long; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Su, Shi-Jian; Tang, Ben Zhong","Robust Luminescent Materials with Prominent Aggregation-Induced Emission and Thermally Activated Delayed Fluorescence for High-Performance Organic Light-Emitting Diodes","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00450","","","0.71073","MoKα","","0.1002","0.0532","","","0.1143","0.1322","","","","","","1.038","","","","has coordinates","195419","2020-10-21","18:00:00",""
"4002746","11.1152","0.0003","11.2048","0.0003","17.5909","0.0005","99.173","0.001","104.525","0.001","90.003","0.001","2091.85","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cl8 N4 Pb2 -","- C32 H48 Cl8 N4 Pb2 -","- C64 H96 Cl16 N8 Pb4 -","2","1","","Thirumal, Krishnamoorthy; Chong, Wee Kiang; Xie, Wei; Ganguly, Rakesh; Muduli, Subas Kumar; Sherburne, Matthew; Asta, Mark; Mhaisalkar, Subodh; Sum, Tze Chien; Soo, Han Sen; Mathews, Nripan","Morphology-Independent Stable White-Light Emission from Self-Assembled Two-Dimensional Perovskites Driven by Strong Exciton‒Phonon Coupling to the Organic Framework","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00073","","","0.71073","MoKα","","0.0684","0.0625","","","0.1628","0.1705","","","","","","1.081","","","","has coordinates,has disorder","195754","2020-10-21","18:00:00",""
"4002747","16.384","0.003","28.376","0.006","13.079","0.003","90","","95.57","0.03","90","","6052","2","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C57 H36 N12 Ni3 O18 -","- C57 H33 N12 Ni3 O18 -","- C114 H66 N24 Ni6 O36 -","2","0.5","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.71073","MoKα","","0.2243","0.1322","","","0.313","0.3923","","","","","","1.016","","","","has coordinates","197392","2020-10-21","18:00:00",""
"4002748","16.657","0.002","16.657","0.002","13.173","0.003","90","","90","","120","","3165.3","0.9","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H12 N4 Ni O6 -","- C19 H11 N4 Ni O6 -","- C114 H66 N24 Ni6 O36 -","6","1","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.67","synchrotron","","0.1898","0.1364","","","0.3774","0.4123","","","","","","1.422","","","","has coordinates,has disorder","197392","2020-10-21","18:00:00",""
"4002749","14.59","0.003","8.1879","0.0016","20.584","0.004","90","","90.36","0.03","90","","2458.9","0.8","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I9 Rb3 Sb2 -","- I9 Rb3 Sb2 -","- I36 Rb12 Sb8 -","4","1","","McCall, Kyle M.; Stoumpos, Constantinos C.; Kostina, Svetlana S.; Kanatzidis, Mercouri G.; Wessels, Bruce W.","Strong Electron‒Phonon Coupling and Self-Trapped Excitons in the Defect Halide Perovskites A3M2I9 (A = Cs, Rb; M = Bi, Sb)","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b01184","","","0.71073","MoKα","","0.1206","0.081","","","0.17","0.1889","","","","","","1.172","","","","has coordinates","195808","2020-10-21","18:00:00",""
"4002750","12.104","0.004","8.399","0.002","14.421","0.004","90","","90.288","0.005","90","","1466","0.7","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 F8 -","- C48 H16 F8 -","- C96 H32 F16 -","2","0.5","","Hiszpanski, Anna M.; Woll, Arthur R.; Kim, Bumjung; Nuckolls, Colin; Loo, Yueh-Lin","Altering the Polymorphic Accessibility of Polycyclic Aromatic Hydrocarbons with Fluorination","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00627","","","0.71073","MoKα","","0.0698","0.0491","","","0.1188","0.1367","","","","","","1.053","","","","has coordinates","195926","2020-10-21","18:00:00",""
"4002751","9.602","0.004","10.452","0.004","11.076","0.005","93.925","0.005","109.054","0.005","97.992","0.006","1032.8","0.7","173.15","","173.15","","","","","","","","","2","P -1","-P 1","2","","","","- C32 H22 -","- C32 H22 -","- C64 H44 -","2","1","","Ju, Huajun; Wang, Kang; Zhang, Jing; Geng, Hua; Liu, Zitong; Zhang, Guanxin; Zhao, Yongsheng; Zhang, Deqing","1,6- and 2,7-trans-β-Styryl Substituted Pyrenes Exhibiting Both Emissive and Semiconducting Properties in the Solid State","Chemistry of Materials","2017","29","8","3580","","10.1021/acs.chemmater.7b00056","","","0.71073","MoKα","","0.0665","0.0568","","","0.1366","0.1437","","","","","","1.096","","","","has coordinates","195935","2020-10-21","18:00:00",""
"4002752","8.6082","0.0001","16.554","0.0003","17.9068","0.0003","90","","90","","90","","2551.72","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","2","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","1.54184","CuKα","","0.047","0.0449","","","0.1179","0.1206","","","","","","1.039","","","","has coordinates","195936","2020-10-21","18:00:00",""
"4002753","17.9259","0.0007","8.5845","0.0002","17.7048","0.0006","90","","90","","90","","2724.5","0.15","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","1","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","0.71073","MoKα","","0.1482","0.1036","","","0.3228","0.367","","","","","","1.081","","","","has coordinates,has disorder","195937","2020-10-21","18:00:00",""
"4002754","5.3533","0.0002","8.4519","0.0003","20.8245","0.0007","99.5419","0.0015","90.1363","0.0015","94.5565","0.0015","926.13","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 N2 O6 S2 -","- C38 H56 N2 O6 S2 -","- C38 H56 N2 O6 S2 -","1","0.5","","Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F.","H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles","Chemistry of Materials","2017","29","7","2979","","10.1021/acs.chemmater.6b05327","","x-ray","1.34139","GaKα","","0.037","0.0349","","","0.0901","0.0919","","","","","","1.054","","","","has coordinates,has disorder","195938","2020-10-21","18:00:00",""
"4002755","5.2636","0.0002","8.2569","0.0003","18.3521","0.0006","78.975","0.0015","85.35","0.0016","85.965","0.0016","779.08","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N2 O8 -","- C32 H44 N2 O8 -","- C32 H44 N2 O8 -","1","0.5","","Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F.","H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles","Chemistry of Materials","2017","29","7","2979","","10.1021/acs.chemmater.6b05327","","x-ray","1.34139","GaKα","","0.1048","0.0799","","","0.2165","0.2435","","","","","","1.055","","","","has coordinates","195939","2020-10-21","18:00:00",""
"4002756","3.23914","0.00007","6.2347","0.00016","9.4884","0.0003","104.736","0.0013","90.6239","0.0013","91.943","0.003","185.172","0.009","300","","300","","","","","","","","","4","P -1","-P 1","2","","Mg2_3Mn4_3B2O5","","- B2 Mg0.66 Mn1.33 O5 -","- B2 Mg0.666 Mn1.334 O5 -","- B4 Mg1.332 Mn2.668 O10 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.5418","CuKα","","","","","","","","","4.4511","1.337","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002757","3.18809","0.00007","6.2021","0.00012","9.36747","0.0002","104.556","0.0015","90.5538","0.0015","92.0289","0.0014","179.131","0.007","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- B2 Mg1.33 Mn0.66 O5 -","- B2.00002 Mg1.333 Mn0.667 O5.00005 -","- B4.00004 Mg2.666 Mn1.334 O10.0001 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.59669","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.2207","2.75","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002758","3.20758","0.00009","6.2134","0.0002","9.4127","0.0004","104.623","0.002","90.511","0.002","92.012","0.003","181.376","0.011","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- B2 Mg Mn O5 -","- B2 Mg Mn O5 -","- B4 Mg2 Mn2 O10 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.59619","ConstantWavelengthNeutronDiffraction","","","","","","","","","16.6247","1.82","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002759","5.1503","0.0001","5.1503","0.0001","13.8069","0.0006","90","","90","","120","","317.17","0.016","296","2","296","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Ba Fe4 O7 -","- Ba Fe4 O7 -","- Ba2 Fe8 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.025","0.0189","","","0.045","0.048","","","","","","1.133","","","","has coordinates","195941","2020-10-21","18:00:00",""
"4002760","16.281","0.003","18.231","0.004","20.595","0.004","90","","92.011","0.003","90","","6109","2","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H170 N8 S4 Si2 -","- C146 H170 N8 S4 Si2 -","- C292 H340 N16 S8 Si4 -","2","0.5","","Gu, Pei-Yang; Wang, Zongrui; Liu, Guangfeng; Yao, Huiying; Wang, Zilong; Li, Yang; Zhu, Jia; Li, Shuzhou; Zhang, Qichun","Synthesis, Full Characterization, and Field Effect Transistor Behavior of a Stable Pyrene-Fused N-Heteroacene with Twelve Linearly Annulated Six-Membered Rings","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b01318","","","0.71073","MoKα","","0.1883","0.1381","","","0.3882","0.433","","","","","","1.721","","","","has coordinates,has disorder","196190","2020-10-21","18:00:00",""
"4002761","9.07499","0.00008","12.91082","0.00012","5.48835","0.00004","90","","91.9854","0.0005","90","","642.66","0.009","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Na2Fe2Si2O7","- Fe2 Na2 O7 Si2 -","- Fe2 Na2 O7 Si2 -","- Fe8 Na8 O28 Si8 -","4","1","","Panigrahi, Abhishek; Nishimura, Shin-ichi; Shimada, Tatau; Watanabe, Eriko; Zhao, Wenwen; Oyama, Gosuke; Yamada, Atsuo","Sodium Iron(II) Pyrosilicate Na2Fe2Si2O7: A Potential Cathode Material in the Na2O-FeO-SiO2 System","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00764","powder diffraction","","1.19566","synchrotron","","","","","","","","","1.93","1.65","","","","","","","has coordinates","196649","2020-10-21","18:00:00",""
"4002817","5.188995","0.000016","4.230802","0.000012","7.86657","0.00002","90","","90","","90","","172.7","0.0008","100","","100","","","","","","","","","2","P m m a","-P 2a 2a","51","","","CuBi","- Bi Cu -","- Bi Cu -","- Bi4 Cu4 -","4","0.5","","Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E.","Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study","Chemistry of Materials","2017","29","12","5276","","10.1021/acs.chemmater.7b01418","powder diffraction","","0.414204","","","1.107","","","","","","","","1.15","","","","","","","has coordinates","198416","2020-10-21","18:00:00",""
"4002818","39.1","0.008","16.748","0.003","16.501","0.003","90","","90.01","0.03","90","","10806","4","100","2","100","2","","","","","","","","4","P 21/m 1 1","-P 2xa","11","","","","- C120 H120 N80 O69 -","- C120 H120 N80 O69 -","- C240 H240 N160 O138 -","2","0.5","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.1434","0.1357","","","0.3568","0.3649","","","","","","1.082","","","","has coordinates,has disorder","199569","2020-10-21","18:00:00",""
"4002819","20.918","0.004","21.165","0.004","23.176","0.005","71.16","0.03","67.42","0.03","75.08","0.03","8861","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H98 Ba2 Cl4 N60 O40.5 -","- C90 H98 Ba2 Cl4 N60 O40.5 -","- C180 H196 Ba4 Cl8 N120 O81 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.71081","silicondoublecrystalmonochromatedsynchrotron","","0.1981","0.1638","","","0.424","0.4507","","","","","","1.158","","","","has coordinates,has disorder","199569","2020-10-21","18:00:00",""
"4002820","21.596","0.004","22.162","0.004","22.803","0.005","63.31","0.03","85.66","0.03","63.71","0.03","8638","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H110.5 Cl4.05 Gd2 N60 O45.25 -","- C90 H110.5 Cl4.05 Gd2 N60 O45.25 -","- C180 H221 Cl8.1 Gd4 N120 O90.5 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0935","0.0829","","","0.245","0.2552","","","","","","1.033","","","","has coordinates","199569","2020-10-21","18:00:00",""
"4002821","9.4725","0.0005","9.9447","0.0005","21.4361","0.0011","91.872","0.001","92.148","0.001","95.903","0.001","2005.83","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","BiI5","","","- C16 H40 Bi2 I10 N4 O0 -","- C16 H40 Bi2 I10 N4 -","- C32 H80 Bi4 I20 N8 -","2","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0207","0.0192","","","0.0417","0.0424","","","","","","1.056","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002822","19.724","0.014","11.129","0.008","16.62","0.012","90","","107.465","0.008","90","","3480","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BiBr5","","","- C8 H20 Bi Br5 N2 O0 -","- C8 H20 Bi Br5 N2 -","- C64 H160 Bi8 Br40 N16 -","8","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0591","0.0495","","","0.1354","0.1416","","","","","","1.017","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002823","19.0664","0.0007","10.6827","0.0004","16.0947","0.0005","90","","108.666","0.002","90","","3105.75","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BiCl5","","","- C8 H20 Bi Cl5 N2 O0 -","- C8 H20 Bi Cl5 N2 -","- C64 H160 Bi8 Cl40 N16 -","8","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.02","0.0191","","","0.0445","0.045","","","","","","1.06","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002824","18.086","0.006","9.287","0.003","20.238","0.007","90","","112.631","0.004","90","","3137.5","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bi2I7Cl2","","","- C12 H30 Bi2 Cl2 I7 N3 O0 -","- C12 H30 Bi2 Cl2 I7 N3 -","- C48 H120 Bi8 Cl8 I28 N12 -","4","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0447","0.0419","","","0.1244","0.1267","","","","","","1.023","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002825","15.122","0.002","15.122","0.002","74.834","0.015","90","","90","","120","","14820","4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","Zn3Sb2","","","- Sb2 Zn2.91 -","- Sb2 Zn2.91253 -","- Sb252 Zn366.979 -","126","7","","Lo, Chun-Wan Timothy; Ortiz, Brenden R.; Toberer, Eric S.; He, Allan; Svitlyk, Volodymyr; Chernyshov, Dmitry; Kolodiazhnyi, Taras; Lidin, Sven; Mozharivskyj, Yurij","Synthesis, Structure, and Thermoelectric Properties of α-Zn3Sb2 and Comparison to β-Zn13Sb10","Chemistry of Materials","2017","29","12","5249","","10.1021/acs.chemmater.7b01214","","","0.71073","MoKα","","0.1671","0.0891","","","0.1457","0.1812","","","","","","1.134","","","","has coordinates","198354","2020-10-21","18:00:00",""
"4002826","9.7723","0.0004","9.7723","0.0004","27.006","0.002","90","","90","","120","","2233.5","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba6 Ga2 S16 Zn7 -","- Ba6 Ga2 S16 Zn6.99 -","- Ba18 Ga6 S48 Zn20.97 -","3","0.333333","","Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming","Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties","Chemistry of Materials","2017","29","12","5259","","10.1021/acs.chemmater.7b01321","","","0.71073","MoKα","","0.0253","0.0231","","","0.0424","0.0446","","","","","","0.968","","","","has coordinates","198355","2020-10-21","18:00:00",""
"4002828","15.417","0.003","4.0742","0.0008","8.319","0.0017","90","","112.94","0.03","90","","481.2","0.2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Potassium_Copper_Selenide","","","- Cu3 K Se2 -","- Cu3 K Se2 -","- Cu12 K4 Se8 -","4","0.5","","Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.; Botana, Antia S.; Chung, Duck Young; Kanatzidis, Mercouri G.","Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu3‒xSe2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b02117","","","0.71073","MoKα","","0.0538","0.0382","","","0.0934","0.097","","","","","","0.951","","","","has coordinates","198648","2020-10-21","18:00:00",""
"4002829","5.108967","0.000085","5.108967","0.000085","12.48752","0.00029","90","","90","","120","","282.275","0.009","300","","300","","","","","","","","","4","P 32","P 32","145","","","","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","1","0.333333","","Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin","Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.94","1.548","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002830","5.1532","0.0002","5.1532","0.0002","13.8134","0.0006","90","","90","","120","","317.68","0.02","300","2","300","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Ba0.89 Fe4 K0.21 O7 -","- Ba0.89 Fe4 K0.212 O7 -","- Ba1.78 Fe8 K0.424 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.0206","0.0174","","","0.0399","0.0409","","","","","","1.393","","","","has coordinates","199570","2020-10-21","18:00:00",""
"4002831","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","295","2","295","2","","","","","","","","3","P 3","P 3","143","","","","- Bi13 I2 S18 -","- Bi13 I2 S18 -","- Bi13 I2 S18 -","1","0.333333","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0217","0.0196","","","0.0427","0.0434","","","","","","1.077","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4002832","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- Bi12.67 I2 S18 -","- Bi12.9516 I2 S18 -","- Bi12.9516 I2 S18 -","1","0.166667","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0178","0.0166","","","0.0356","0.0359","","","","","","1.134","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4002833","20.852","0.004","21.303","0.004","22.769","0.005","71.45","0.03","66.73","0.03","74.75","0.03","8699","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H104 Ce2 Cl4 N60 O57.5 -","- C90 H104 Ce2 Cl4 N60 O57.5 -","- C180 H208 Ce4 Cl8 N120 O115 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0975","0.079","","","0.2363","0.2519","","","","","","1.05","","","","has coordinates","199514","2020-10-21","18:00:00",""
"4002834","7.332028","0.000092","7.332028","0.000092","7.332028","0.000092","90","","90","","90","","394.16","0.009","1073","","1073","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Al2 Na2.28 O8 Si2 -","- Al2 Na2.282 O8 Si2 -","- Al4 Na4.564 O16 Si4 -","2","0.0208333","","Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu","Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","6559","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.46","1.199","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002835","9.9762","0.00023","9.9762","0.00023","8.34957","0.0002","90","","90","","120","","719.66","0.03","300","","300","","","","","","","","","4","P 63","P 6c","173","","","Nepheline","- Al4 Na3.49 O16 Si4 -","- Al4 Na3.493 O16 Si4 -","- Al8 Na6.986 O32 Si8 -","2","0.333333","","Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu","Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","6559","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.8","1.421","","","","","","","has coordinates","199650","2020-10-21","18:00:00",""
"4002836","16.475","0.004","24.378","0.005","29.61","0.006","90","","102.95","0.003","90","","11590","4","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Au23 Br7 P10 Pd2 -","- C180 H150 Au23 Br7 P10 Pd2 -","- C360 H300 Au46 Br14 P20 Pd4 -","2","0.5","","Kang, Xi; Xiang, Ji; Lv, Ying; Du, Wenjun; Yu, Haizhu; Wang, Shuxin; Zhu, Manzhou","Synthesis and Structure of Self-Assembled Pd2Au23(PPh3)10Br7 Nanocluster: Exploiting Factors That Promote Assembly of Icosahedral Nano-Building-Blocks","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b02015","","","0.71073","MoKα","","0.1665","0.0809","","","0.1441","0.1696","","","","","","0.909","","","","has coordinates","199720","2020-10-21","18:00:00",""
"4002837","10.2959","0.0013","10.2959","0.0013","10.2959","0.0013","90","","90","","90","","1091.4","0.2","40","0.2","40","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0147","0.0127","","","0.0254","0.034","","","","","","1.387","","","","has coordinates","200652","2020-10-21","18:00:00",""
"4002838","10.32","0.002","10.32","0.002","10.32","0.002","90","","90","","90","","1099.1","0.4","500","0.2","500","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0238","0.0213","","","0.0433","0.0452","","","","","","1.053","","","","has coordinates","200148","2020-10-21","18:00:00",""
"4002839","10.3111","0.0007","10.3111","0.0007","10.3111","0.0007","90","","90","","90","","1096.26","0.13","298","0.2","298","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0239","0.0225","","","0.0468","0.048","","","","","","1.203","","","","has coordinates","200149","2020-10-21","18:00:00",""
"4002840","10.3004","0.0015","10.3004","0.0015","10.3004","0.0015","90","","90","","90","","1092.9","0.3","100","0.2","100","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0235","0.0217","","","0.0463","0.0493","","","","","","1.213","","","","has coordinates","200150","2020-10-21","18:00:00",""
"4002841","11.449","0.002","11.435","0.002","10.144","0.002","90","","90","","90","","1328","0.4","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C4 H8 Cl2 Fe2 Li2 O12 -","- C4 H8 Cl2 Fe2 Li2 O12 -","- C16 H32 Cl8 Fe8 Li8 O48 -","4","1","","Yao, Wenjiao; Clark, Lucy; Xia, Mingjun; Li, Teng; Lee, Stephen L.; Lightfoot, Philip","Diverse Family of Layered Frustrated Magnets with Tailorable Interlayer Interactions","Chemistry of Materials","2017","29","16","6616","","10.1021/acs.chemmater.7b02434","","","0.71073","MoKα","","0.068","0.0395","","","0.0738","0.0839","","","","","","1.051","","","","has coordinates","200151","2020-10-21","18:00:00",""
"4002842","6.213","0.002","9.183","0.003","14.383","0.005","94.287","0.005","100.125","0.005","106.893","0.005","766","0.4","273.1","","273.1","","","","","","","","","4","P -1","-P 1","2","","4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)-benzo[1,2-d:4,5-d']bis(thiazole)","","- C16 H20 N S2 -","- C16 H18 N S2 -","- C32 H36 N2 S4 -","2","1","","Zhang, Siyuan; Zhang, Junxiang; Abdelsamie, Maged; Shi, Qinqin; Zhang, Yadong; Parker, Timothy C.; Jucov, Evgheni V.; Timofeeva, Tatiana V.; Amassian, Aram; Bazan, Guillermo C.; Blakey, Simon B.; Barlow, Stephen; Marder, Seth R.","Intermediate-Sized Conjugated Donor Molecules for Organic Solar Cells: Comparison of Benzodithiophene and Benzobisthiazole-Based Cores","Chemistry of Materials","2017","29","18","7880","","10.1021/acs.chemmater.7b02665","","","0.71073","MoKα","","0.0683","0.0603","","","0.1759","0.1847","","","","","","1.003","","","","has coordinates","201746","2020-10-21","18:00:00",""
"4002843","23.7318","0.001","27.7793","0.0013","38.156","0.0017","90","","100.061","0.002","90","","24767.6","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H157.5 N6 S9 -","- C144 H157.5 N6 S9 -","- C1152 H1260 N48 S72 -","8","1","","Abe, Yuichiro; Savikhin, Victoria; Yin, Jun; Grimsdale, Andrew C.; Soci, Cesare; Toney, Michael F.; Lam, Yeng Ming","Unique Reversible Crystal-to-Crystal Phase Transition—Structural and Functional Properties of Fused Ladder Thienoarenes","Chemistry of Materials","2017","29","18","7686","","10.1021/acs.chemmater.7b01226","","","1.54178","CuKα","","0.1858","0.1678","","","0.4527","0.4741","","","","","","2.079","","","","has coordinates,has disorder","201745","2020-10-21","18:00:00",""
"4002844","14.3203","0.0005","14.3203","0.0005","9.7057","0.0004","90","","90","","120","","1723.7","0.11","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga5 Hg4 K Se12 -","- Ga5.001 Hg3.999 K Se12 -","- Ga15.003 Hg11.997 K3 Se36 -","3","0.333333","","Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response","Chemistry of Materials","2017","29","18","7993","","10.1021/acs.chemmater.7b03143","","","0.71073","MoKα","","0.0463","0.0434","","","0.087","0.0905","","","","","","1.026","","","","has coordinates","201748","2020-10-21","18:00:00",""
"4002845","12.0903","0.0014","12.0903","0.0014","7.5333","0.0009","90","","90","","120","","953.65","0.19","90","2","90","2","","","","","","","","5","P 31","P 31","144","Co3(HCOO)5Cl(OH2)","Co3(HCOO)5Cl(OH2)","","- C5 H7 Cl Co3 O11 -","- C5 H7 Cl Co3 O11 -","- C15 H21 Cl3 Co9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.71073","MoKα","","0.0298","0.0262","","","0.0542","0.0554","","","","","","1.052","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002846","11.9286","0.0005","11.9286","0.0005","7.3887","0.0004","90","","90","","120","","910.5","0.07","90","2","90","2","","","","","","","","5","P 31","P 31","144","Ni3(HCOO)5Cl(OH2)","Ni3(HCOO)5Cl(OH2)","","- C5 H7 Cl Ni3 O11 -","- C5 H7 Cl Ni3 O11 -","- C15 H21 Cl3 Ni9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.7749","synchrotron","","0.0748","0.0572","","","0.121","0.1283","","","","","","1.064","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002847","12.2116","0.0003","12.2116","0.0003","7.5739","0.0002","90","","90","","120","","978.13","0.04","100","2","100","2","","","","","","","","5","P 31","P 31","144","Fe3(HCOO)5Cl(OH2)","Fe3(HCOO)5Cl(OH2)","","- C5 H7 Cl Fe3 O11 -","- C5 H7 Cl Fe3 O11 -","- C15 H21 Cl3 Fe9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.71073","MoKα","","0.0338","0.028","","","0.0508","0.052","","","","","","1.04","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002848","9.5089","0.0006","16.5114","0.001","18.4177","0.0011","96.813","0.005","99.765","0.005","93.246","0.005","2820.9","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C144 H106 N2 O4 -","- C144 H106 N2 O4 -","- C144 H106 N2 O4 -","1","0.5","","Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H.","Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties","Chemistry of Materials","2017","29","19","8395","","10.1021/acs.chemmater.7b02968","","x-ray","1.54184","CuKα","","0.0928","0.0708","","","0.1955","0.2168","","","","","","1.04","","","","has coordinates","202664","2020-10-21","18:00:00",""
"4002849","16.945","0.003","17.24","0.003","20.307","0.004","81.27","0.03","73.96","0.03","64.79","0.03","5154","2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C136 H100 N4 O8 -","- C136 H100 N4 O8 -","- C272 H200 N8 O16 -","2","1","","Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H.","Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties","Chemistry of Materials","2017","29","19","8395","","10.1021/acs.chemmater.7b02968","","","0.71073","Synchrotron","","0.0754","0.0694","","","0.2194","0.2277","","","","","","1.067","","","","has coordinates,has disorder","275243","2022-05-09","01:12:31",""
"4002850","13.969","0.007","17.144","0.009","17.97","0.01","104.668","0.016","109.998","0.017","96.169","0.014","3822","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4tic","4tic","","- C189 H176 N8 O6 S8 -","- C189 H176 N8 O6 S8 -","- C189 H176 N8 O6 S8 -","1","0.5","","Shi, Xueliang; Zuo, Lijian; Jo, Sae Byeok; Gao, Ke; Lin, Francis; Liu, Feng; Jen, Alex K.-Y.","Design of a Highly Crystalline Low-Band Gap Fused-Ring Electron Acceptor for High-Efficiency Solar Cells with Low Energy Loss","Chemistry of Materials","2017","29","19","8369","","10.1021/acs.chemmater.7b02853","","","0.71073","MoKα","","0.4023","0.1422","","","0.2626","0.3592","","","","","","1.092","","","","has coordinates,has disorder","202661","2020-10-21","18:00:00",""
"4002852","13.679","","4.153","","15.127","","90","","115.51","","90","","775.57","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cd Se8 Sn -","- Bi3.978 Cd1.022 Se8 Sn -","- Bi7.956 Cd2.044 Se16 Sn2 -","2","0.25","","Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G.","Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties","Chemistry of Materials","2017","29","19","8494","","10.1021/acs.chemmater.7b03328","","","0.71069","MoKα","","0.0433","0.0312","","","0.058","0.0609","","","","","","1.086","","","","has coordinates","202663","2020-10-21","18:00:00",""
"4002853","13.713","0.003","4.1665","0.0008","15.228","0.003","90","","115.56","0.03","90","","784.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4.04 Cd0.99 Pb0.96 Se8 -","- Bi4.04 Cd0.986 Pb0.96 Se8 -","- Bi8.08 Cd1.972 Pb1.92 Se16 -","2","0.25","","Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G.","Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties","Chemistry of Materials","2017","29","19","8494","","10.1021/acs.chemmater.7b03328","","","0.71073","MoKα","","0.0484","0.0399","","","0.0904","0.0936","","","","","","1.066","","","","has coordinates","202663","2020-10-21","18:00:00",""
"4002854","10.5009","0.0005","11.9576","0.0005","17.2362","0.0007","80.684","0.002","76.252","0.002","88.259","0.002","2074.47","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","'tetrakis(butane-1,4-bis(dimethylsulfonium)) octadecabromopentaplumbate dimethylformamide dimethylsulfoxide solvate'","","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","1","0.5","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.6888","synchrotron","","0.0437","0.0315","","","0.0703","0.0754","","","","","","1.038","","","","has coordinates,has disorder","201596","2020-10-21","18:00:00",""
"4002855","11.4104","0.0005","9.2728","0.0004","18.5164","0.0008","90","","97.622","0.002","90","","1941.84","0.15","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylsulfonium) decabromotriplumbate","","- C12 H36 Br10 Pb3 S4 -","- C12 H36 Br10 Pb3 S4 -","- C24 H72 Br20 Pb6 S8 -","2","0.5","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.7749","synchrotron","","0.0483","0.034","","","0.0788","0.0877","","","","","","1.044","","","","has coordinates,has disorder","201597","2020-10-21","18:00:00",""
"4002856","22.1968","0.0011","11.207","0.0006","21.0031","0.0011","90","","90","","90","","5224.7","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","tris(butane-1,4-bis(dimethylsulfonium)) dodecabromotriplumbate","","- C24 H60 Br12 Pb3 S6 -","- C24 H60 Br12 Pb3 S6 -","- C96 H240 Br48 Pb12 S24 -","4","1","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.7749","synchrotron","","0.0323","0.0304","","","0.0744","0.0757","","","","","","1.033","","","","has coordinates","201598","2020-10-21","18:00:00",""
"4002857","13.7222","0.0003","13.7222","0.0003","17.299","0.0004","90","","90","","120","","2820.97","0.11","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br6 Cs4 Pb -","- Br6 Cs4 Pb -","- Br36 Cs24 Pb6 -","6","0.166667","","De Bastiani, Michele; Dursun, Ibrahim; Zhang, Yuhai; Alshankiti, Buthainah A.; Miao, Xiao-He; Yin, Jun; Yengel, Emre; Alarousu, Erkki; Turedi, Bekir; Almutlaq, Jawaher M.; Saidaminov, Makhsud I.; Mitra, Somak; Gereige, Issam; AlSaggaf, Ahmed; Zhu, Yihan; Han, Yu; Roqan, Iman S.; Bredas, Jean-Luc; Mohammed, Omar F.; Bakr, Osman M.","Inside Perovskites: Quantum Luminescence from Bulk Cs4PbBr6 Single Crystals","Chemistry of Materials","2017","29","17","7108","","10.1021/acs.chemmater.7b02415","","x-ray","0.71073","MoKα","","0.0473","0.043","","","0.1309","0.1376","","","","","","1.071","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4002858","6.193","0.005","17.569","0.014","19.605","0.015","107.797","0.005","90.469","0.011","100.043","0.01","1996","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","'1,2-Bis(2-methyl-5-(4-octyloxyphenyl)-3-thienyl)perfluorocyclopentene'","","- C43 H50 F6 O2 S2 -","- C43 H50 F6 O2 S2 -","- C86 H100 F12 O4 S4 -","2","1","","Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya","Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition","Chemistry of Materials","2017","29","17","7524","","10.1021/acs.chemmater.7b02558","","","0.71075","MoKα","","0.1192","0.0763","","","0.1859","0.2223","","","","","","1.064","","","","has coordinates,has disorder","201600","2020-10-21","18:00:00",""
"4002859","6.389","0.005","17.125","0.016","20.105","0.018","108.813","0.004","90.502","0.014","102.091","0.012","2029","3","313.15","","313","2","","","","","","","","5","P -1","-P 1","2","","1,2-Bis(2-methyl-5-(4-octyloxyphenyl)-3-thienyl)perfluorocyclopentene","","- C43 H50 F6 O2 S2 -","- C43 H50 F6 O2 S2 -","- C86 H100 F12 O4 S4 -","2","1","","Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya","Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition","Chemistry of Materials","2017","29","17","7524","","10.1021/acs.chemmater.7b02558","","","0.71075","MoKα","","0.1636","0.0898","","","0.2038","0.2453","","","","","","1.13","","","","has coordinates,has disorder","201601","2020-10-21","18:00:00",""
"4002860","9.0437","0.0006","10.8072","0.0006","10.8381","0.0007","116.35","0.006","102.549","0.006","96.607","0.005","899.05","0.12","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C15 H15 Cu I N6 O P -","- C15 H15 Cu I N6 O P -","- C30 H30 Cu2 I2 N12 O2 P2 -","2","1","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0345","0.0315","","","0.0793","0.0819","","","","","","1.055","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002861","14.4114","0.0005","14.4114","0.0005","46.858","0.002","90","","90","","120","","8428","0.5","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 Li N12 O8 P2 -","- C30 H30 Cu6 I7 Li0.9999 N12 O8 P2 -","- C180 H180 Cu36 I42 Li5.9994 N72 O48 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0509","0.0442","","","0.1157","0.1226","","","","","","1.05","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002862","14.364","0.0002","14.364","0.0002","47.9353","0.0008","90","","90","","120","","8565.2","0.2","100","0.3","100","0.3","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C180 H180 Cu36 I42 N72 Na6 O30 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0363","0.0341","","","0.0965","0.0984","","","","","","1.09","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002863","14.343","0.0002","14.343","0.0002","48.4451","0.0009","90","","90","","120","","8631","0.2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 O2 P2 -","- C30 H30 Cu6 I7 N12 O2 P2 -","- C180 H180 Cu36 I42 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0366","0.0355","","","0.1116","0.1128","","","","","","1.125","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002864","14.3646","0.0008","14.3646","0.0008","49.201","0.003","90","","90","","120","","8792.1","0.9","100.01","0.17","100.01","0.17","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C180 H180 Cu36 I42 K6 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.056","0.0471","","","0.1344","0.1413","","","","","","1.104","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002865","14.2783","0.0004","14.2783","0.0004","49.8573","0.0014","90","","90","","120","","8802.6","0.4","100","0.4","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C38 H30 Cu6 I7 N13 O2 P2 -","- C37.9995 H30 Cu6 I7 N12.9999 O2 P2 -","- C227.997 H180 Cu36 I42 N77.9994 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.041","0.0358","","","0.1035","0.1055","","","","","","1.241","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002866","15.4067","0.0003","14.6428","0.0003","10.625","0.0002","90","","93.991","0.0017","90","","2391.16","0.08","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Mo6 Na9 O24 -","- Al Mo6 Na9 O24 -","- Al4 Mo24 Na36 O96 -","4","0.5","","Savina, Aleksandra A.; Morozov, Vladimir A.; Buzlukov, Anton L.; Arapova, Irina Yu.; Stefanovich, Sergey Yu.; Baklanova, Yana V.; Denisova, Tatiana A.; Medvedeva, Nadezhda I.; Bardet, Michel; Hadermann, Joke; Lazoryak, Bogdan I.; Khaikina, Elena G.","New Solid Electrolyte Na9Al(MoO4)6: Structure and Na+ Ion Conductivity","Chemistry of Materials","2017","29","20","8901","","10.1021/acs.chemmater.7b03989","powder diffraction","x-ray","1.5418","CuKα","","0.0349","0.0348","","0.0421","0.042","","","","2.87","","","","","","","has coordinates","202665","2020-10-21","18:00:00",""
"4002867","14.87","0.008","13.8","0.008","12.445","0.006","90","","90","","90","","2554","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Rb4Ge4Se12","","","- Ge4 Rb4 Se12 -","- Ge4 Rb4 Se12 -","- Ge16 Rb16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.068","0.0473","","","0.0938","0.1038","","","","","","1.054","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002868","15.193","0.006","13.944","0.005","12.845","0.005","90","","90","","90","","2721.2","1.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cs4Ge4Se12","","","- Cs4 Ge4 Se12 -","- Cs4 Ge4 Se12 -","- Cs16 Ge16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.055","0.0388","","","0.0767","0.0831","","","","","","1.002","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002869","18.9153","0.0018","18.9153","0.0018","4.3783","0.0004","90","","90","","120","","1356.6","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- Ag11.86 Se7 Tl2 -","- Ag11.864 Se7 Tl2 -","- Ag35.592 Se21 Tl6 -","3","0.5","","Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger","Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity","Chemistry of Materials","2017","29","21","9565","","10.1021/acs.chemmater.7b04015","","","0.71073","MoKα","","0.0859","0.0492","","","0.0938","0.1078","","","","","","1.163","","","","has coordinates","203983","2020-10-21","18:00:00",""
"4002870","18.7055","0.0003","39.8841","0.0005","27.8207","0.0005","90","","90","","90","","20755.7","0.6","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C36 H23 Cu3 N3 O18 -","- C36 H23 Cu3 N3 O18 -","- C288 H184 Cu24 N24 O144 -","8","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Phang, Hui Shi; Li, Yongxin; Zhao, Yanli","Highly Effective Carbon Fixation via Catalytic Conversion of CO2 by an Acylamide-Containing Metal‒Organic Framework","Chemistry of Materials","2017","29","21","9256","","10.1021/acs.chemmater.7b03183","","","1.54184","CuKα","","0.0544","0.0468","","","0.1405","0.1474","","","","","","0.997","","","","has coordinates,has disorder","203985","2020-10-21","18:00:00",""
"4002871","5.3664","0.0012","6.2313","0.0014","8.7401","0.0018","70.5","0.018","73.152","0.018","79.38","0.02","262.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[Cd(N3)2(atrz)]n","","","- C4 H4 Cd N14 -","- C4 H4 Cd N14 -","- C4 H4 Cd N14 -","1","0.5","","Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances","Chemistry of Materials","2017","29","22","9725","","10.1021/acs.chemmater.7b03453","","","0.71073","MoKα","","0.0214","0.0213","","","0.0509","0.051","","","","","","1.049","","","","has coordinates","203982","2020-10-21","18:00:00",""
"4002872","5.2315","0.0016","6.0448","0.0019","8.497","0.003","71.411","0.018","74.31","0.02","79.01","0.02","243.58","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[Co(N3)2(atrz)]n","","","- C4 H4 Co N14 -","- C4 H4 Co N14 -","- C4 H4 Co N14 -","1","0.5","","Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances","Chemistry of Materials","2017","29","22","9725","","10.1021/acs.chemmater.7b03453","","","0.71073","MoKα","","0.0517","0.0432","","","0.1071","0.1102","","","","","","1.027","","","","has coordinates","203982","2020-10-21","18:00:00",""
"4002873","9.9491","0.0004","10.5856","0.0004","10.6882","0.0004","90","","102.604","0.002","90","","1098.52","0.07","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 H12 Br4 N2 Pd -","- C2 H12 Br4 N2 Pd -","- C8 H48 Br16 N8 Pd4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0673","0.0401","","","0.0836","0.0928","","","","","","1.027","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002874","8.4218","0.0012","8.9253","0.0013","26.11","0.004","90","","90","","90","","1962.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 H24 I4 N2 Sn -","- C32 H96 I16 N8 Sn4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0722","0.0652","","","0.1372","0.1393","","","","","","1.392","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002875","11.7344","0.0015","8.5264","0.0011","7.5155","0.0009","90","","102.089","0.004","90","","735.27","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br4 N2 Pd -","- C6 H20 Br4 N2 Pd -","- C12 H40 Br8 N4 Pd2 -","2","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0582","0.0407","","","0.0873","0.0921","","","","","","1.107","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002876","5.5848","0.0008","5.5848","0.0008","8.94","0.0018","90","","90","","90","","278.84","0.08","100","2","100","2","","","","","","","","2","P -4 c 2","P -4 -2c","116","","","","- Fe2 Ge3 -","- Fe2 Ge3 -","- Fe8 Ge12 -","4","0.5","","Verchenko, Valeriy Yu.; Wei, Zheng; Tsirlin, Alexander A.; Callaert, Carolien; Jesche, Anton; Hadermann, Joke; Dikarev, Evgeny V.; Shevelkov, Andrei V.","Crystal Growth of the Nowotny Chimney Ladder Phase Fe2Ge3: Exploring New Fe-Based Narrow-Gap Semiconductor with Promising Thermoelectric Performance","Chemistry of Materials","2017","29","23","9954","","10.1021/acs.chemmater.7b03300","","","0.71073","MoKα","","0.0284","0.0276","","","0.0691","0.0695","","","","","","1.357","","","","has coordinates","204784","2020-10-21","18:00:00",""
"4002877","14.29","0.002","14.29","0.002","31.3","0.006","90","","90","","120","","5535.3","1.5","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C54 H18 Al12 O73.5 -","- C54 H18 Al12 O73.5 -","- C108 H36 Al24 O147 -","2","0.0833333","","Benzaqui, Marvin; Pillai, Renjith S.; Sabetghadam, Anahid; Benoit, Virginie; Normand, Perine; Marrot, Jérôme; Menguy, Nicolas; Montero, David; Shepard, William; Tissot, Antoine; Martineau-Corcos, Charlotte; Sicard, Clémence; Mihaylov, Mihail; Carn, Florent; Beurroies, Isabelle; Llewellyn, Philip L.; De Weireld, Guy; Hadjiivanov, Konstantin; Gascon, Jorge; Kapteijn, Freek; Maurin, Guillaume; Steunou, Nathalie; Serre, Christian","Revisiting the Aluminum Trimesate-Based MOF (MIL-96): From Structure Determination to the Processing of Mixed Matrix Membranes for CO2 Capture","Chemistry of Materials","2017","29","24","10326","","10.1021/acs.chemmater.7b03203","","","0.8266","synchrotron","","0.1279","0.1044","","","0.2564","0.2917","","","","","","1.072","","","","has coordinates","204782","2020-10-21","18:00:00",""
"4002878","5.0813","0.0001","15.1585","0.0003","29.3246","0.0007","83.882","0.001","85.728","0.001","82.705","0.002","2223.42","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 Cu3 O18 P6 -","- C56 H52 Cu3 O18 P6 -","- C56 H52 Cu3 O18 P6 -","1","0.5","","Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H.","Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks","Chemistry of Materials","2017","29","24","10469","","10.1021/acs.chemmater.7b04108","","","0.71073","MoKα","","0.1283","0.0699","","","0.1307","0.1415","","","","","","0.966","","","","has coordinates","204783","2020-10-21","18:00:00",""
"4002879","5.039","0.001","27.642","0.006","23.662","0.005","90","","94.95","0.03","90","","3283.5","1.2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cu3 O18 P6 -","- C60 H60 Cu3 O18 P6 -","- C120 H120 Cu6 O36 P12 -","2","0.5","","Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H.","Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks","Chemistry of Materials","2017","29","24","10469","","10.1021/acs.chemmater.7b04108","","","0.71073","MoKα","","0.1131","0.0788","","","0.1468","0.1624","","","","","","1.094","","","","has coordinates,has disorder","204783","2020-10-21","18:00:00",""
"4002880","9.5073","0.0005","35.1644","0.0018","21.6818","0.0011","90","","92.515","0.004","90","","7241.6","0.6","150","2","149.99","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H70 B2 F8 N6 O P2 Pd S2 -","- C76 H70 B2 F8 N6 O P2 Pd S2 -","- C304 H280 B8 F32 N24 O4 P8 Pd4 S8 -","4","1","","d’Aquino, Andrea I.; Kean, Zachary S.; Mirkin, Chad A.","Infinite Coordination Polymer Particles Composed of Stimuli-Responsive Coordination Complex Subunits","Chemistry of Materials","2017","29","24","10284","","10.1021/acs.chemmater.7b03638","","","1.54178","CuKα","","0.0803","0.0605","","","0.1515","0.1607","","","","","","1.05","","","","has coordinates,has disorder","204781","2020-10-21","18:00:00",""
"4002881","19.181","0.0018","18.443","0.0017","22.97","0.002","90","","94.759","0.002","90","","8097.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gd@C82(C4H8NO)7","","","- C110 H56 Gd N7 O7 -","- C110 H56 Gd N7 O7 -","- C440 H224 Gd4 N28 O28 -","4","1","","Huang, Huan; Zhang, Lele; Gao, Xuejiao J.; Guo, Xihong; Cui, Rongli; Xu, Binggang; Dong, Jinquan; Li, Yanbang; Gan, Liangbing; Chang, Fei; Gao, Xingfa; Sun, Baoyun","Regioselective Polyamination of Gd@C2v(9)-C82 and Non-High Performance Liquid Chromatography Rapid Separation of Gd@C82(morpholine)7","Chemistry of Materials","2017","30","1","64","","10.1021/acs.chemmater.7b03787","","","0.71073","MoKα","","0.0899","0.0762","","","0.2293","0.2395","","","","","","1.063","","","","has coordinates,has disorder","206139","2020-10-21","18:00:00",""
"4003331","13.17398","0.00011","13.17398","","30.0925","0.0009","90","","90","","120","","4522.96","0.14","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-STA-20 as-prepared dehydrated","","","- C1.29 H3.01 Al N0.33 O4.09 P0.95 Si0.05 -","- C1.294 H3.01974 Al N0.323734 O4.08933 P0.95 Si0.05 -","- C46.5841 H108.711 Al36 N11.6544 O147.216 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12644","","5.44","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4003332","13.15497","0.00018","13.15497","","30.5833","0.0004","90","","90","","120","","4583.47","0.09","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-STA-20 calcined dehydrated","","","- Al O4 P0.95 Si0.05 -","- Al O4 P0.95 Si0.05 -","- Al36 O144 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12103","","4.21","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4003333","14.739","0.0009","20.9507","0.001","23.2253","0.0013","90","","90","","90","","7171.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H44 N2 O24 P2 Ti6 -","- C54 H86 N2 O24 P2 Ti6 -","- C216 H344 N8 O96 P8 Ti24 -","4","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0745","0.0599","","","0.1583","0.1706","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003334","14.4746","0.0004","14.8614","0.0004","20.4638","0.0006","90","","124.016","0.002","90","","3648.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 N2 O26 P2 S2 Ti6 -","- C52 H88 N2 O26 P2 S2 Ti6 -","- C104 H176 N4 O52 P4 S4 Ti12 -","2","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0591","0.0483","","","0.1346","0.1494","","","","","","1.033","","","","has coordinates","264242","2021-04-16","08:49:05",""
"4003335","12.414","0.002","15.182","0.003","19.227","0.004","90","","93.528","0.004","90","","3616.8","1.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 N4 O24 P2 Ti6 -","- C52 H86 N4 O24 P2 Ti6 -","- C104 H172 N8 O48 P4 Ti12 -","2","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.057","0.049","","","0.1366","0.1432","","","","","","1.095","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003336","12.751","0.01","14.762","0.012","21.641","0.016","96.651","0.006","94.063","0.009","110.713","0.007","3757","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Cl2 Cu N2 O24 P2 Ti6 -","- C54 H84 Cl2 Cu N2 O24 P2 Ti6 -","- C108 H168 Cl4 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1617","0.1201","","","0.2827","0.3004","","","","","","1.328","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003337","12.8145","0.0004","14.7882","0.0005","21.93","0.0008","97.346","0.003","94.755","0.003","109.668","0.003","3845.8","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Br2 Cu N2 O24 P2 Ti6 -","- C54 H88 Br2 Cu N2 O24 P2 Ti6 -","- C108 H176 Br4 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0859","0.0678","","","0.188","0.219","","","","","","1.034","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003338","12.349","0.003","12.877","0.003","18.344","0.005","91.107","0.003","107.211","0.002","105.799","0.002","2665.3","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H59 Cl Cu N O12 P2 Ti3 -","- C45 H59 Cl Cu N O12 P2 Ti3 -","- C90 H118 Cl2 Cu2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0632","0.0464","","","0.1239","0.1552","","","","","","1.035","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003339","12.1894","0.001","12.9651","0.0011","18.4828","0.0015","91.798","0.001","106.513","0.003","106.143","0.003","2670.7","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H59 Br Cu N O12 P2 Ti3 -","- C45 H59 Br Cu N O12 P2 Ti3 -","- C90 H118 Br2 Cu2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0604","0.0526","","","0.16","0.1661","","","","","","1.089","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003340","11.9007","0.0005","13.1334","0.0006","18.7685","0.0007","93.366","0.003","105.25","0.004","106.592","0.004","2683.8","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H56 Cu I N O12 P2 Ti3 -","- C45 H56 Cu I N O12 P2 Ti3 -","- C90 H112 Cu2 I2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0908","0.0542","","","0.1341","0.151","","","","","","1.067","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003341","14.756","0.0005","14.8185","0.0006","20.8524","0.0008","72.098","0.004","79.337","0.003","78.319","0.003","4212","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H88 Cl Cu N2 O24 P2 Ti6 -","- C54 H81 Cl Cu N2 O24 P2 Ti6 -","- C108 H162 Cl2 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0929","0.0647","","","0.1878","0.2084","","","","","","1.06","","","","has coordinates,has disorder","231525","2020-10-21","18:00:00",""
"4003342","14.802","0.0004","14.9813","0.0005","20.8176","0.0007","72.442","0.003","80.29","0.003","79.364","0.003","4294.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Br Cu N2 O24 P2 Ti6 -","- C55 H76 Br Cu N2 O24 P2 Ti6 -","- C110 H152 Br2 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0824","0.0595","","","0.165","0.1835","","","","","","1.054","","","","has coordinates,has disorder","231525","2020-10-21","18:00:00",""
"4003343","14.814","0.0004","14.9378","0.0008","20.7492","0.001","71.798","0.005","81.023","0.003","79.495","0.003","4264.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H79 Cu I N2 O24 P2 Ti6 -","- C53 H73 Cu I N2 O24 P2 Ti6 -","- C106 H146 Cu2 I2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1151","0.066","","","0.1851","0.2094","","","","","","1.029","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003344","19.8913","0.0004","21.1284","0.0003","19.7411","0.0003","90","","95.314","0.002","90","","8261","0.2","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 Cl2 Cu N2 O26 P2 S2 Ti6 -","- C52 H83 Cl2 Cu N2 O26 P2 S2 Ti6 -","- C208 H332 Cl8 Cu4 N8 O104 P8 S8 Ti24 -","4","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0827","0.0639","","","0.1888","0.2103","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003345","24.2854","0.001","26.7805","0.0009","12.2991","0.0006","90","","90","","90","","7999","0.6","293","2","293","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C52 H88 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C52 H74 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C208 H296 Br8 Cu8 N8 O104 P8 S8 Ti24 -","4","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.1321","0.0924","","","0.2448","0.2949","","","","","","1.017","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003346","13.56","0.002","25.683","0.005","26.59","0.005","99.185","0.008","104.314","0.006","104.895","0.006","8421","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H176 Br4 Cu4 N4 O48 P4 Ti12 -","- C108 H159 Br4 Cu4 N4 O48 P4 Ti12 -","- C216 H318 Br8 Cu8 N8 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0935","0.0618","","","0.1672","0.1907","","","","","","1.055","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003347","13.543","0.003","25.778","0.006","26.753","0.005","98.786","0.011","103.609","0.008","103.991","0.006","8588","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H176 Cu4 I4 N4 O48 P4 Ti12 -","- C108 H152 Cu4 I4 N4 O48 P4 Ti12 -","- C216 H304 Cu8 I8 N8 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1214","0.075","","","0.2006","0.2374","","","","","","1.207","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003348","13.527","0.003","25.847","0.006","26.657","0.006","98.87","0.01","103.892","0.008","103.725","0.008","8566","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H172 Cu4 I4 N8 O48 P4 Ti12 -","- C104 H151 Cu4 I4 N8 O48 P4 Ti12 -","- C208 H302 Cu8 I8 N16 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1035","0.0789","","","0.2126","0.2277","","","","","","1.08","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003349","26.733","0.005","26.733","0.005","65.261","0.013","90","","90","","120","","40391","13","293.15","","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C168 H276 Cu8 I8 N8 O72 P6 Ti18 -","- C168 H60 Cu8 I8 N8 O72 P6 Ti18 -","- C1008 H360 Cu48 I48 N48 O432 P36 Ti108 -","6","0.166667","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.099","0.0715","","","0.198","0.2216","","","","","","1.055","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003350","11.2695","0.0006","13.9591","0.0005","21.6342","0.0011","93.356","0.004","94.042","0.004","101.66","0.004","3315.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 Cu4 I4 O2 P4 -","- C72 H52 Cu4 I4 O2 P4 -","- C144 H104 Cu8 I8 O4 P8 -","2","1","","Xie, Mingchen; Han, Chunmiao; Zhang, Jing; Xie, Guohua; Xu, Hui","White Electroluminescent Phosphine-Chelated Copper Iodide Nanoclusters","Chemistry of Materials","2017","29","16","6606","","10.1021/acs.chemmater.7b01443","","","0.71073","MoKα","","0.0829","0.0514","","","0.1228","0.1431","","","","","","1.028","","","","has coordinates","231526","2020-10-21","18:00:00",""
"4032057","19.0544","0.0013","10.7505","0.0008","19.758","0.0014","90","","90","","90","","4047.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C192 H192 N16 O16 S8 -","8","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0863","0.0553","","","0.1335","0.1637","","","","","","1.05","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032058","16.913","0.007","8.048","0.003","16.567","0.007","90","","98.358","0.007","90","","2231.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C100 H100 Br4 N8 O8 S4 -","4","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0754","0.0493","","","0.1278","0.1597","","","","","","0.89","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032073","7.0004","0.001","21.017","0.003","10.9249","0.0017","90","0.0015","100.084","0.0016","90","0.0015","1582.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,2-bis(2-phenyl-1H-indol-3-yl)ethyne_1a","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Ishikawa, Rino; Iwasawa, Ryosuke; Takiyama, Yuichiro; Yamauchi, Tomokazu; Iwanaga, Tetsuo; Takezaki, Makoto; Watanabe, Motonori; Teramoto, Naozumi; Shimasaki, Toshiaki; Shibata, Mitsuhiro","Synthesis of 1,2-Bis(2-aryl-1H-indol-3-yl)ethynes via 5-exo-Digonal Double Cyclization Reactions of 1,4-Bis(2-isocyanophenyl)buta-1,3-diyne with Aryl Grignard Reagents.","The Journal of organic chemistry","2017","82","1","652","663","10.1021/acs.joc.6b02668","","","0.7107","MoKα","","0.0489","0.0392","","","0.0952","0.1034","","","","","","1.052","","","","has coordinates","193531","2020-10-21","18:00:00",""
"4032075","14.9261","0.0002","12.3367","0.0001","18.0148","0.0002","90","","107.369","0.001","90","","3165.97","0.06","108.1","","108.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N O5 -","- C40 H37 N O5 -","- C160 H148 N4 O20 -","4","2","","Wang, Chang; Jia, Hao; Zhang, Cheng; Gao, Zhenzhen; Zhou, Leijie; Yuan, Chunhao; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Enantioselective [2+4] Cycloaddition to Synthesize Pyrrolidin-2-one Fused Dihydropyrans Using α-Substituted Allenoates as C2 Synthons.","The Journal of organic chemistry","2017","82","1","633","641","10.1021/acs.joc.6b02659","","","1.5418","CuKα","","0.0394","0.0378","","","0.0982","0.0999","","","","","","1.026","","","","has coordinates","193548","2020-10-21","18:00:00",""
"4032076","10.2286","0.0004","7.4574","0.0003","18.7761","0.0007","90","","102.144","0.003","90","","1400.17","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Okugawa, Naoki; Moriyama, Katsuhiko; Togo, Hideo","Introduction of Quinolines and Isoquinolines onto Nonactivated α-C-H Bond of Tertiary Amides through a Radical Pathway.","The Journal of organic chemistry","2017","82","1","170","178","10.1021/acs.joc.6b02303","","","1.54178","CuKα","","0.0725","0.0585","","","0.1522","0.161","","","","","","1.078","","","","has coordinates,has disorder","193533","2020-10-21","18:00:00",""
"4032077","4.5847","0.0002","11.7037","0.0005","29.754","0.003","90","","90","","90","","1596.54","0.19","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0789","0.0653","","0.1509","0.1431","0.1509","","","","","","1.0037","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032078","4.6659","0.0003","11.9898","0.0009","13.673","0.001","90","","90.47","0.004","90","","764.89","0.09","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0414","0.0356","","0.0832","0.0804","0.0832","","","","","","1.0336","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032079","4.7176","0.0002","11.731","0.0004","13.7171","0.0006","90","","90.035","0.004","90","","759.13","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0802","0.0801","","0.2203","0.2202","0.2203","","","","","","1.0058","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032080","8.4129","0.0017","18.533","0.004","9.925","0.002","90","","112.62","0.03","90","","1428.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Harras, Marina; Milius, Wolfgang; Aitken, R. Alan; Schobert, Rainer","Syntheses of Combretastatins D-1, D-2, and D-4 via Ring Contraction by Flash Vacuum Pyrolysis.","The Journal of organic chemistry","2017","82","1","579","587","10.1021/acs.joc.6b02586","","","0.71073","MoKα","","0.2144","0.054","","","0.099","0.1358","","","","","","0.608","","","","has coordinates","193549","2020-10-21","18:00:00",""
"4032081","15.671","0.0007","9.7549","0.0003","28.7604","0.0016","90","","104.987","0.006","90","","4247","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C192 H192 N16 O40 -","8","4","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.1219","0.1083","","","0.296","0.3083","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032083","8.6743","0.0016","10.0778","0.0017","22.329","0.003","90","","90","","90","","1952","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0582","","","0.0813","0.0992","","","","","","0.982","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032084","20.988","0.002","10.9938","0.0012","17.5014","0.0019","90","","111.663","0.001","90","","3753","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F N O2 S -","- C22 H22 F N O2 S -","- C176 H176 F8 N8 O16 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0555","0.0434","","","0.1173","0.1327","","","","","","1.075","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032085","26.8944","0.001","6.4389","0.0002","12.7221","0.0005","90","","100.463","0.002","90","","2166.46","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0476","0.0361","","","0.0984","0.1057","","","","","","1.035","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032086","16.9926","0.0004","6.4698","0.0001","18.8075","0.0005","90","","109.766","0.001","90","","1945.85","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0636","0.0471","","","0.1201","0.1313","","","","","","1.055","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032087","10.034","0.003","9.082","0.003","20.17","0.007","90","","96.018","0.007","90","","1827.9","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0681","0.0491","","","0.1299","0.1386","","","","","","1.041","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032088","9.9926","0.0005","14.1265","0.0006","31.0675","0.0015","90","","90","","90","","4385.5","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 N O4 S -","- C18 H23 N O4 S -","- C144 H184 N8 O32 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.2378","0.0932","","","0.1816","0.2224","","","","","","0.895","","","","has coordinates,has disorder","193538","2020-10-21","18:00:00",""
"4032089","8.956","0.0007","14.3354","0.0012","17.8668","0.0014","90","","90","","90","","2293.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1857","0.0671","","","0.141","0.1951","","","","","","0.862","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032090","35.628","0.004","7.7768","0.0009","15.986","0.003","90","","105.13","0.004","90","","4275.7","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 N O4 S -","- C22 H31 N O4 S -","- C176 H248 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0758","0.0658","","","0.1895","0.196","","","","","","1.173","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032091","7.9999","0.0006","10.3733","0.0008","11.7494","0.0009","86.701","0.002","72.034","0.002","86.782","0.002","925.19","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0553","0.0455","","","0.1328","0.1542","","","","","","1.131","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032092","7.6259","0.0015","10.43","0.002","17.696","0.004","90","","90","","90","","1407.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 F2 N2 O2 -","- C16 H12 F2 N2 O2 -","- C64 H48 F8 N8 O8 -","4","1","","Cai, Shangjun; Lin, Songyun; Yi, Xiangli; Xi, Chanjuan","Substrate-Controlled Transformation of Azobenzenes to Indazoles and Indoles via Rh(III)-Catalysis.","The Journal of organic chemistry","2017","82","1","512","520","10.1021/acs.joc.6b02548","","","0.71073","MoKα","","0.0374","0.0369","","","0.0883","0.0887","","","","","","1.053","","","","has coordinates","193544","2020-10-21","18:00:00",""
"4032093","5.9753","0.0016","26.495","0.008","29.833","0.009","90","","90","","90","","4723","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H41 Br3 N10 O9 -","- C48 H41 Br3 N10 O9 -","- C192 H164 Br12 N40 O36 -","4","1","","Ma, Zhiqiang; You, Lin; Chen, Chuo","Stereocontrolled Formation of a [4.4]Heterospiro Ring System with Unexpected Inversion of Configuration at the Spirocenter.","The Journal of organic chemistry","2017","82","1","731","736","10.1021/acs.joc.6b02266","","","0.71075","MoKα","","0.0992","0.0855","","","0.1433","0.1492","","","","","","1.201","","","","has coordinates","193540","2020-10-21","18:00:00",""
"4032094","8.3581","0.0006","11.1996","0.0008","15.9048","0.001","90","","90","","90","","1488.81","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Kaster, Sven H.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of γ-Lactones through Koga Amine-Controlled Addition of Enediolates to α,β-Unsaturated Sulfoxonium Salts.","The Journal of organic chemistry","2017","82","1","606","615","10.1021/acs.joc.6b02622","","","1.54178","CuKα","","0.0298","0.0281","","","0.0681","0.069","","","","","","1.094","","","","has coordinates","193534","2020-10-21","18:00:00",""
"4032095","22.883","0.007","12.0629","0.0012","15.901","0.005","90","","132.43","0.05","90","","3240","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Cl6 N4 O2 Se2 -","- C30 H22 Cl6 N4 O2 Se2 -","- C120 H88 Cl24 N16 O8 Se8 -","4","0.5","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.1291","0.0707","","","0.1422","0.1754","","","","","","1.05","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032096","8.9772","0.0002","26.5501","0.0005","10.9101","0.0003","90","","96.2","0.002","90","","2585.16","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O2 Se2 -","- C28 H26 N4 O2 Se2 -","- C112 H104 N16 O8 Se8 -","4","1","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.0981","0.0543","","","0.0813","0.0921","","","","","","1.069","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032097","7.7553","0.0006","9.9664","0.0007","12.7439","0.001","96.96","0.009","91.765","0.01","107.208","0.009","931.67","0.13","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C46 H44 N8 -","2","1","","Gers-Panther, Charlotte F; Fischer, Henry; Nordmann, Jan; Seiler, Theresa; Behnke, Thomas; Würth, Christian; Frank, Walter; Resch-Genger, Ute; Müller, Thomas J J","Four- and Five-Component Syntheses and Photophysical Properties of Emission Solvatochromic 3-Aminovinylquinoxalines.","The Journal of organic chemistry","2017","82","1","567","578","10.1021/acs.joc.6b02581","","","0.71073","MoKα","","0.0606","0.0491","","","0.132","0.139","","","","","","0.956","","","","has coordinates","193543","2020-10-21","18:00:00",""
"4032098","9.2902","0.0009","18.1269","0.0013","9.1449","0.0006","90","","90","","90","","1540","0.2","152.01","0.1","152.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Zhou, Qi; Zhang, Zhikun; Zhou, Yujing; Li, Shichao; Zhang, Yan; Wang, Jianbo","Palladium-Catalyzed Synthesis of Indoles and Isoquinolines with in Situ Generated Phosphinimine.","The Journal of organic chemistry","2017","82","1","48","56","10.1021/acs.joc.6b01864","","","0.71073","MoKα","","0.0948","0.0678","","","0.1467","0.1659","","","","","","1.06","","","","has coordinates","193537","2020-10-21","18:00:00",""
"4032099","25.807","0.003","16.852","0.003","13.031","0.0014","90","","112.568","0.003","90","","5233.2","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C55.5 H81 N2 O8.5 -","- C55.5 H81 N2 O8.5 -","- C222 H324 N8 O34 -","4","1","","Shi, Yong; Jiang, Xiao-Ling; Tian, Wei-Sheng","Synthesis of 12,12'-azo-13,13'-diepi-Ritterazine N.","The Journal of organic chemistry","2017","82","1","269","275","10.1021/acs.joc.6b02391","","","0.71073","MoKα","","0.0817","0.0666","","","0.1738","0.1878","","","","","","1.015","","","","has coordinates","193530","2020-10-21","18:00:00",""
"4032100","11.751","0.007","16.267","0.009","12.438","0.007","90","","99.143","0.008","90","","2347","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","P(NMe2)3-Mediated Aziridination of Imines with α-Ketoesters for Synthesis of Aziridine-2-carboxylates.","The Journal of organic chemistry","2017","82","1","811","818","10.1021/acs.joc.6b02669","","","0.71073","MoKα","","0.1215","0.0517","","","0.1159","0.1451","","","","","","0.999","","","","has coordinates","193532","2020-10-21","18:00:00",""
"4032101","8.702","0.003","19.376","0.006","18.853","0.006","90","","97.275","0.004","90","","3153.2","1.8","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N2 O2 P Pd -","- C37 H35 N2 O2 P Pd -","- C148 H140 N8 O8 P4 Pd4 -","4","1","","Vignesh, Arumugam; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Conversion of Arylboronic Acids to Tetrazoles Catalyzed by ONO Pincer-Type Palladium Complex.","The Journal of organic chemistry","2017","82","2","887","892","10.1021/acs.joc.6b02277","","","0.71073","MoKα","","0.0983","0.0584","","","0.0982","0.1133","","","","","","1.065","","","","has coordinates,has disorder","193581","2020-10-21","18:00:00",""
"4032102","7.3744","0.0009","9.888","0.002","12.55","0.003","92.519","0.017","100.158","0.015","107.744","0.016","853.3","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","1","","Shinde, Anand H.; Arepally, Sagar; Baravkar, Mayur D.; Sharada, Duddu S.","Nickel-Catalyzed Aerobic Oxidative Isocyanide Insertion: Access to Benzimidazoquinazoline Derivatives via a Sequential Double Annulation Cascade (SDAC) Strategy.","The Journal of organic chemistry","2017","82","1","331","342","10.1021/acs.joc.6b02423","","","0.71073","MoKα","","0.112","0.0678","","","0.1565","0.189","","","","","","1.0914","","","","has coordinates","193541","2020-10-21","18:00:00",""
"4032103","10.2941","0.0003","18.8657","0.0005","10.2215","0.0003","90","","90","","90","","1985.07","0.1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","S1480","","","- C25 H16 N O3 -","- C25 H16 N O3 -","- C100 H64 N4 O12 -","4","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.0723","0.0596","","","0.165","0.1749","","","","","","1.033","","","","has coordinates,has disorder","196148","2020-10-21","18:00:00",""
"4032104","6.56614","0.00012","12.6523","0.0002","16.1928","0.0003","90","","90","","90","","1345.25","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.028","0.0269","","","0.0667","0.0678","","","","","","1.097","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032105","6.53502","0.00016","12.7185","0.0003","16.1657","0.0004","90","","90","","90","","1343.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N6 O6 -","- C11 H14 N6 O6 -","- C44 H56 N24 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.0735","0.0573","","","0.1303","0.1559","","","","","","1.135","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032106","20.774","0.005","29.8","0.008","30.233","0.008","90","","108.12","0.004","90","","17788","8","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 N4 -","- C60 H54 N4 -","- C840 H756 N56 -","14","3.5","","Saegusa, Yuta; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Acid-Base Properties of a Freebase Form of a Quadruply Ring-Fused Porphyrin-Stepwise Protonation Induced by Rigid Ring-Fused Structure.","The Journal of organic chemistry","2017","82","1","322","330","10.1021/acs.joc.6b02419","","","0.71073","MoKα","","0.1244","0.0911","","","0.2185","0.2331","","","","","","1.081","","","","has coordinates","275206","2022-05-07","03:38:22",""
"4032107","6.4258","0.001","9.9859","0.0007","10.2112","0.0012","90","","107.515","0.015","90","","624.85","0.14","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","x-ray","0.71073","MoKα","","0.035","0.0328","","","0.0873","0.0902","","","","","","0.924","","","","has coordinates","193545","2020-10-21","18:00:00",""
"4032108","33.509","0.004","13.9343","0.0014","20.097","0.003","90","","126.247","0.006","90","","7567.8","1.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H62 Cl4 F10 N4 S4 -","- C84 H62 Cl4 F10 N4 S4 -","- C336 H248 Cl16 F40 N16 S16 -","4","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.164","0.0856","","","0.2279","0.2921","","","","","","1.054","","","","has coordinates","193539","2020-10-21","18:00:00",""
"4032109","13.0609","0.0014","14.0494","0.0016","22.454","0.003","77.832","0.003","75.363","0.003","85.051","0.003","3894.6","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H40 Cl2 -","- C51 H40 Cl2 -","- C204 H160 Cl8 -","4","2","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0907","0.0672","","0.1223","0.0639","0.0603","","","","","","1.09","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032110","16.195","0.002","19.407","0.003","20.992","0.003","69.639","0.004","68.618","0.004","82.046","0.004","5759.2","1.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50.67 H39.33 Cl1.33 -","- C50.6667 H39.3333 Cl1.33333 -","- C304 H236 Cl8 -","6","3","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1088","0.091","","0.1396","0.0871","0.0836","","","","","","0.9597","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032111","10.72","0.0005","45.197","0.002","12.0719","0.0005","90","","114.696","0.0014","90","","5314","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Cl4 -","- C64 H66 Cl4 -","- C256 H264 Cl16 -","4","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0892","0.0542","","0.0896","0.0477","0.0408","","","","","","1.1049","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032112","16.8971","0.001","6.0972","0.0004","16.0454","0.001","90","","106.609","0.0017","90","","1584.1","0.17","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 -","- C46 H30 -","- C92 H60 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0838","0.0549","","0.0991","0.0547","0.0508","","","","","","1.0846","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032113","13.1786","0.0005","13.3182","0.0005","14.4208","0.0006","92.0053","0.0016","110.536","0.0015","91.6484","0.0016","2366.5","0.16","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C59 H55 Cl3 -","- C59 H55 Cl3 -","- C118 H110 Cl6 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0621","0.041","","0.0801","0.0431","0.0408","","","","","","1.0599","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032114","18.391","0.003","5.5876","0.0009","26.892","0.005","90","","90.19","0.006","90","","2763.4","0.8","193","","193","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C70 H78 -","- C70 H78 -","- C140 H156 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1729","0.0564","","0.1638","0.0532","0.0475","","","","","","1.047","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032115","12.3283","0.0009","17.541","0.0013","18.7671","0.0013","70.412","0.002","89.193","0.002","70.98","0.002","3594.1","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H106 Cl4 -","- C84 H106 Cl4 -","- C168 H212 Cl8 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.2517","0.0978","","0.314","0.085","0.0644","","","","","","1.0472","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032116","10.5493","0.0007","12.2119","0.0008","16.3716","0.0012","76.044","0.004","78.422","0.004","64.554","0.003","1836.9","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H104 Cl6 -","- C84 H104 Cl6 -","- C84 H104 Cl6 -","1","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0775","0.0507","","0.0919","0.046","0.0399","","","","","","1.0871","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032117","14.7492","0.0005","30.0592","0.001","47.2671","0.0014","90","","94.95","0.003","90","","20877.7","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.05 Cl0.42 F21.89 O0.21 -","- C49.0526 Cl0.421053 F21.8947 O0.210526 -","- C932 Cl8 F416 O4 -","19","4.75","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.409","0.3367","","0.5549","0.3513","0.3384","","","","","","2.0267","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032118","18.7663","0.0013","16.4529","0.0006","9.1","0.0006","90","","123.702","0.01","90","","2337.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 N4 O6 -","- C58 H52 N4 O6 -","- C116 H104 N8 O12 -","2","0.5","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0633","0.0505","","","0.1256","0.1377","","","","","","1.03","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032119","11.15402","0.00015","17.9078","0.0003","12.87201","0.0002","90","","95.1831","0.0013","90","","2560.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N2 O -","- C34 H32 N2 O -","- C136 H128 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","x-ray","1.54184","CuKα","","0.0447","0.0398","","","0.0989","0.1028","","","","","","1.025","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032120","8.11","0.0003","21.2864","0.001","17.7101","0.0003","90","","113.8","0.05","90","","2797.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 N2 O -","- C38 H33 N2 O -","- C152 H132 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0505","0.0426","","","0.1004","0.1056","","","","","","1.032","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032121","10.5975","0.0003","13.6912","0.0003","20.7918","0.0005","90","","96.98","0.003","90","","2994.38","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 N2 O -","- C40 H34 N2 O -","- C160 H136 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.05","0.0401","","","0.0935","0.0994","","","","","","1.014","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032122","10.8401","0.0012","7.0137","0.0008","11.9424","0.0015","90","","90","","90","","907.97","0.18","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br I N -","- C8 H5 Br I N -","- C32 H20 Br4 I4 N4 -","4","0.5","","Das, Riki; Kapur, Manmohan","Palladium-Catalyzed, ortho-Selective C-H Halogenation of Benzyl Nitriles, Aryl Weinreb Amides, and Anilides.","The Journal of organic chemistry","2017","82","2","1114","1126","10.1021/acs.joc.6b02731","","","0.71073","MoKα","","0.0393","0.0315","","","0.1127","0.1196","","","","","","0.976","","","","has coordinates","193580","2020-10-21","18:00:00",""
"4032123","13.3403","0.0016","5.1091","0.0006","18.453","0.002","90","","109.944","0.004","90","","1182.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F N3 S2 -","- C12 H8 F N3 S2 -","- C48 H32 F4 N12 S8 -","4","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0888","0.0511","","","0.1099","0.1242","","","","","","1.052","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032124","14.975","0.006","18.45","0.008","12.193","0.005","90","","121.277","0.005","90","","2879","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C136 H112 F8 N24 -","8","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.1113","0.0614","","","0.1549","0.1717","","","","","","0.86","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032125","6.3021","0.0006","15.8764","0.0019","9.4266","0.0011","90","","103.133","0.012","90","","918.51","0.18","294.73","0.1","294.73","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","1.54184","CuKα","","0.0622","0.0497","","","0.1207","0.1441","","","","","","1.103","","","","has coordinates","193579","2020-10-21","18:00:00",""
"4032126","4.8642","0.0008","21.195","0.003","19.918","0.004","90","","94.449","0.008","90","","2047.3","0.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H17 Cl3 N2 O -","- C24 H17 Cl3 N2 O -","- C96 H68 Cl12 N8 O4 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.1406","0.0666","","","0.123","0.1463","","","","","","1.073","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032127","7.8494","0.0002","11.18","0.0003","12.5458","0.0003","106.824","0.001","98.571","0.001","109.145","0.001","958.65","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0471","0.0379","","","0.0987","0.1047","","","","","","1.045","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032128","4.9314","0.0003","9.9036","0.0007","13.2788","0.001","97.898","0.006","91.398","0.006","102.64","0.006","625.8","0.08","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C24 H40 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","1.54178","CuKα","","0.0508","0.0459","","","0.1284","0.1364","","","","","","1.034","","","","has coordinates","193577","2020-10-21","18:00:00",""
"4032129","18.8598","0.0012","6.0858","0.0005","9.8418","0.0006","90","","95.853","0.006","90","","1123.72","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0668","0.0473","","","0.1166","0.1318","","","","","","1.077","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032130","9.2268","0.0006","10.1429","0.0005","19.5322","0.0014","90","","100.626","0.006","90","","1796.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0627","0.0428","","","0.0899","0.1025","","","","","","1.052","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032131","8.9705","0.0004","9.4409","0.0007","10.5838","0.0007","96.267","0.006","111.946","0.005","99.63","0.005","805.1","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C38 H36 O8 S2 -","2","1","","Wu, Wanqing; Yi, Songjian; Yu, Yue; Huang, Wei; Jiang, Huanfeng","Synthesis of Sulfonylated Lactones via Ag-Catalyzed Cascade Sulfonylation/Cyclization of 1,6-Enynes with Sodium Sulfinates.","The Journal of organic chemistry","2017","82","2","1224","1230","10.1021/acs.joc.6b02416","","","1.54178","CuKα","","0.0479","0.0408","","","0.0994","0.105","","","","","","1.05","","","","has coordinates","193582","2020-10-21","18:00:00",""
"4032132","10.2235","0.0003","7.176","0.0002","21.8858","0.0007","90","","102.953","0.001","90","","1564.77","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 N O -","- C18 H29 N O -","- C72 H116 N4 O4 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0514","0.0449","","","0.1055","0.1093","","","","","","1.054","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032133","19.3415","0.0003","7.1702","0.0001","11.3568","0.0002","90","","101.412","0.001","90","","1543.85","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C72 H120 O8 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0544","0.0413","","","0.1087","0.1271","","","","","","1.106","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032134","7.277","0.0001","10.8148","0.0001","19.2366","0.0003","90","","90","","90","","1513.91","0.03","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0347","0.0343","","","0.0931","0.0934","","","","","","1.047","","","","has coordinates","193596","2020-10-21","18:00:00",""
"4032135","16.1787","0.0015","7.8957","0.0007","11.6365","0.001","90","","105.489","0.005","90","","1432.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N O9 -","- C12 H14 N O9 -","- C48 H56 N4 O36 -","4","1","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.71073","MoKα","","0.0395","0.0324","","","0.0819","0.0865","","","","","","1.028","","","","has coordinates","193588","2020-10-21","18:00:00",""
"4032136","10.928","0.002","6.432","0.0013","19.345","0.004","90","","95.38","0.03","90","","1353.7","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","0.71073","MoKα","","0.1663","0.0742","","","0.0789","0.0978","","","","","","1.001","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032137","8.419","0.0001","17.2192","0.0001","18.2072","0.0001","90","","90","","90","","2639.47","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0317","0.0307","","","0.0852","0.0862","","","","","","1.039","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032138","17.976","0.004","8.7449","0.0017","18.806","0.004","90","","104.96","0.03","90","","2856.1","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C136 H160 O24 -","8","1","","Wu, Hao; Hsung, Richard P.; Tang, Yu","Total Syntheses of (±)-Rhodonoids A and B and C12-epi-Rhodonoid B.","The Journal of organic chemistry","2017","82","3","1545","1551","10.1021/acs.joc.6b02739","","","0.71073","MoKα","","0.0657","0.0498","","","0.1535","0.1746","","","","","","1.027","","","","has coordinates","193595","2020-10-21","18:00:00",""
"4032139","8.0238","0.0011","20.185","0.003","24.621","0.003","96.566","0.008","92.291","0.007","90.483","0.007","3958","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O5 S -","- C19 H20 N2 O5 S -","- C152 H160 N16 O40 S8 -","8","4","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1946","0.1468","","","0.3316","0.3527","","","","","","1.262","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032140","6.1952","0.0005","10.7715","0.0008","27.987","0.003","90","","90","","90","","1867.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1895","0.1235","","","0.2528","0.3338","","","","","","1.108","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032141","7.476","0.002","11.875","0.003","18.314","0.007","80.19","0.03","86.76","0.03","75.499","0.018","1550.9","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H27.9 Br Cl0.4 N5 O5 -","- C32.7 H24 Br Cl0.4 N5 O5 -","- C65.4 H48 Br2 Cl0.8 N10 O10 -","2","1","","Feng, Junjun; Li, Xin; Cheng, Jin-Pei","Enantioselective Organocatalyzed Vinylogous Michael Reactions of 3-Alkylidene Oxindoles with Enals.","The Journal of organic chemistry","2017","82","3","1412","1419","10.1021/acs.joc.6b02582","","","0.71073","MoKα","","0.0825","0.0615","","","0.1652","0.179","","","","","","1.067","","","","has coordinates,has disorder","193586","2020-10-21","18:00:00",""
"4032142","9.154","0.0007","9.2199","0.0007","10.1419","0.0007","64.85","0.007","84.832","0.006","67.071","0.007","710.67","0.11","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0602","0.0531","","","0.1487","0.1593","","","","","","1.043","","","","has coordinates","193598","2020-10-21","18:00:00",""
"4032143","12.88956","0.00005","18.7538","0.00007","15.37317","0.00005","90","","95.7738","0.0003","90","","3697.28","0.02","169.91","0.1","169.91","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O6 Si -","- C37 H52 N2 O6 Si -","- C148 H208 N8 O24 Si4 -","4","2","","Suh, Young-Ger; Lim, Changjin; Sim, Jaehoon; Lee, Jae Kyun; Surh, Young-Joon; Paek, Seung-Mann","Construction of the Azacyclic Core of Tabernaemontanine-Related Alkaloids via Tandem Reformatsky-Aza-Claisen Rearrangement.","The Journal of organic chemistry","2017","82","3","1464","1470","10.1021/acs.joc.6b02648","","x-ray","1.54184","CuKα","","0.0479","0.0472","","","0.1245","0.1254","","","","","","1.069","","","","has coordinates,has disorder","193592","2020-10-21","18:00:00",""
"4032144","10.0753","0.0011","10.3677","0.0008","11.4126","0.0013","76.523","0.008","80.432","0.009","64.208","0.009","1041","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C44 H50 N2 O12 -","2","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Yang, Chao; Xia, Wujiong","Photoinduced Intermolecular [4+2] Cycloaddition Reaction for Construction of Benzobicyclo[2.2.2]octane Skeletons.","The Journal of organic chemistry","2017","82","3","1389","1402","10.1021/acs.joc.6b02547","","x-ray","0.71073","MoKα","","0.0904","0.0597","","","0.1468","0.1741","","","","","","1.022","","","","has coordinates,has disorder","193597","2020-10-21","18:00:00",""
"4032145","6.2021","0.0004","9.4154","0.0006","13.871","0.0009","73.687","0.003","84.003","0.003","83.209","0.003","769.78","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C30 H28 F6 N6 O6 -","2","1","","Duret, Guillaume; Quinlan, Robert; Yin, Boyang; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Intramolecular Inverse Electron-Demand [4 + 2] Cycloadditions of Ynamides with Pyrimidines: Scope and Density Functional Theory Insights.","The Journal of organic chemistry","2017","82","3","1726","1742","10.1021/acs.joc.6b02986","","","1.54178","CuKα","","0.033","0.0322","","0.0356","0.0334","0.0331","","","","","","1.1198","","","","has coordinates","193602","2020-10-21","18:00:00",""
"4032146","19.8806","0.0004","7.9531","0.0001","24.0117","0.0005","90","","101.629","0.0007","90","","3718.61","0.12","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 -","- C51 H43 -","- C204 H172 -","4","1","","Miyoshi, Hirokazu; Miki, Masahito; Hirano, Shintaro; Shimizu, Akihiro; Kishi, Ryohei; Fukuda, Kotaro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Hisaki, Ichiro; Nakano, Masayoshi; Tobe, Yoshito","Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of π Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids.","The Journal of organic chemistry","2017","82","3","1380","1388","10.1021/acs.joc.6b02500","","","0.8","synchrotron","","0.0568","0.0488","","","0.1253","0.1329","","","","","","1.065","","","","has coordinates,has disorder","193599","2020-10-21","18:00:00",""
"4032147","6.1336","0.0017","7.936","0.002","7.765","0.002","90","","94.959","0.004","90","","376.56","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H8 N2 O8 S2 -","- H8 N2 O8 S2 -","- H16 N4 O16 S4 -","2","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.0281","0.0256","","","0.0709","0.0729","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032148","6.8561","0.0017","7.0999","0.0014","7.969","0.002","70.08","0.006","88.026","0.007","79.211","0.008","358.08","0.15","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","1","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","193594","2020-10-21","18:00:00",""
"4032149","8.226","0.002","14.044","0.004","7.005","0.002","90","","94.085","0.004","90","","807.2","0.4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O4 S -","- C6 H9 N O4 S -","- C24 H36 N4 O16 S4 -","4","1","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.045","0.0386","","","0.0895","0.0933","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032150","19.1715","0.0009","8.6293","0.0009","9.3029","0.0017","90","","102.648","0.005","90","","1501.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C68 H68 N4 O8 S4 -","4","1","","Wen, Li-Rong; Dou, Qian; Wang, Yuan-Chao; Zhang, Jin-Wei; Guo, Wei-Si; Li, Ming","Synthesis of 1-Thio-Substituted Isoquinoline Derivatives by Tandem Cyclization of Isothiocyanates.","The Journal of organic chemistry","2017","82","3","1428","1436","10.1021/acs.joc.6b02605","","","0.71073","MoKα","","0.0451","0.0432","","","0.1027","0.104","","","","","","1.158","","","","has coordinates","193603","2020-10-21","18:00:00",""
"4032151","6.12","0.003","13.432","0.006","23.716","0.01","90","","90","","90","","1949.5","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","1","","Wang, Yuanfeng; Pan, Jian; Dong, Jingjiao; Yu, Chenxia; Li, Tuanjie; Wang, Xiang-Shan; Shen, Shide; Yao, Changsheng","N-Heterocyclic Carbene-Catalyzed [4 + 2] Cyclization of Saturated Carboxylic Acid with o-Quinone Methides through in Situ Activation: Enantioselective Synthesis of Dihydrocoumarins.","The Journal of organic chemistry","2017","82","3","1790","1795","10.1021/acs.joc.6b02444","","","0.71073","MoKα","","0.0951","0.0386","","","0.0659","0.078","","","","","","1.028","","","","has coordinates","193587","2020-10-21","18:00:00",""
"4032153","7.8797","0.0011","10.6151","0.0016","19.258","0.003","90","","96.963","0.003","90","","1598.9","0.4","130","2","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Meng, Jiang; Wen, Min; Zhang, Shiwei; Pan, Peiwen; Yu, Xingxin; Deng, Wei-Ping","Unexpected O-H Insertion of Rhodium-Azavinylcarbenes with N-Acylhydrazones: Divergent Synthesis of 3,6-Disubstituted- and 3,5,6-Trisubstituted-1,2,4-Triazines.","The Journal of organic chemistry","2017","82","3","1676","1687","10.1021/acs.joc.6b02846","","","0.71073","MoKα","","0.0784","0.0628","","","0.17","0.1797","","","","","","0.861","","","","has coordinates","193600","2020-10-21","18:00:00",""
"4032154","10.3517","0.0005","10.778","0.0005","21.814","0.0011","90","","94.68","0.004","90","","2425.7","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Dumoulin, Audrey; Bernadat, Guillaume; Masson, Géraldine","Enantioselective Three-Component Amination of Enecarbamates Enables the Synthesis of Structurally Complex Small Molecules.","The Journal of organic chemistry","2017","82","3","1775","1789","10.1021/acs.joc.6b03093","","x-ray","0.71073","MoKα","","0.0633","0.0432","","","0.1062","0.1123","","","","","","1.108","","","","has coordinates","193593","2020-10-21","18:00:00",""
"4032155","13.9058","0.0009","15.9471","0.0007","14.5652","0.0012","90","","115.575","0.009","90","","2913.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","2","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0714","0.0469","","","0.1208","0.1371","","","","","","1.016","","","","has coordinates","193591","2020-10-21","18:00:00",""
"4032156","6.9266","0.0002","14.6572","0.0005","11.4985","0.0003","90","0.002","103.475","0.002","90","0.002","1135.24","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindolehydroxylactam","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0551","0.0466","","","0.1232","0.145","","","","","","1.172","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032157","9.2359","0.0002","14.0859","0.0004","15.645","0.0004","90","","101.897","0.002","90","","1991.63","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindole","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0831","0.0502","","","0.1308","0.1611","","","","","","1.099","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032158","9.5902","0.0002","9.9373","0.0003","10.7178","0.0003","90","","95.509","0.001","90","","1016.7","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 -","- C23 H27 N3 O3 -","- C46 H54 N6 O6 -","2","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0252","0.025","","","0.066","0.067","","","","","","1.079","","","","has coordinates","193565","2020-10-21","18:00:00",""
"4032159","15.476","0.002","12.9994","0.0017","5.4283","0.0007","90","","90","","90","","1092.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0618","0.0516","","","0.1357","0.1435","","","","","","1.073","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032160","24","0.003","7.048","0.001","19.277","0.003","90","","117.566","0.002","90","","2890.6","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0902","0.0522","","","0.1434","0.1688","","","","","","1.015","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032161","7.493","0.0007","23.948","0.002","7.4662","0.0007","90","","91.094","0.001","90","","1339.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0651","0.0462","","","0.105","0.1147","","","","","","1.034","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032162","9.127","0.0018","16.25","0.003","10.496","0.002","90","","102.373","0.005","90","","1520.5","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N -","- C18 H14 F3 N -","- C72 H56 F12 N4 -","4","1","","Hanakawa, Taisyun; Isa, Kazuki; Isobe, Shin-Ichi; Hoshino, Yuji; Zhou, Biao; Kawatsura, Motoi","Intramolecular Construction of Trifluoromethyl Group by the Palladium-Catalyzed Alkylation of 2,3,3-Trifluoroallylic Carbonates with Indoles.","The Journal of organic chemistry","2017","82","4","2281","2287","10.1021/acs.joc.6b03085","","","0.71075","MoKα","","","0.0554","","","","0.1507","","","","","","1.107","","","","has coordinates","193572","2020-10-21","18:00:00",""
"4032163","9.904","0.004","8.337","0.003","29.035","0.012","90","","94.111","0.009","90","","2391.2","1.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 F5 I N3 O P -","- C26 H14 F5 I N3 O P -","- C104 H56 F20 I4 N12 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.2221","0.0753","","","0.0983","0.1365","","","","","","1.036","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032164","12.546","0.002","8.1344","0.0014","17.974","0.003","90","","99.441","0.004","90","","1809.5","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 I O P -","- C20 H14 I O P -","- C80 H56 I4 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0327","0.0266","","","0.0797","0.0831","","","","","","1.238","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032165","8.4788","0.0012","9.8691","0.0013","20.417","0.003","78.361","0.005","87.341","0.007","83.062","0.006","1660.6","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 F4 I N3 O3 P -","- C35 H31 F4 I N3 O3 P -","- C70 H62 F8 I2 N6 O6 P2 -","2","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0383","0.0357","","","0.1035","0.1055","","","","","","0.801","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032166","9.8605","0.0016","10.2577","0.0016","15.126","0.002","101.114","0.004","104.653","0.004","97.215","0.004","1427.7","0.4","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C38 H32 N2 O2 -","- C38 H32 N2 O2 -","- C76 H64 N4 O4 -","2","2","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.1467","0.0602","","","0.107","0.1296","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032167","9.5426","0.0005","14.1928","0.0006","18.2177","0.0008","90","","90","","90","","2467.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 F6 N2 P -","- C24 H29 F6 N2 P -","- C96 H116 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0416","","","0.0959","0.1048","","","","","","1.102","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032168","10.0763","0.0004","10.0763","","46.527","0.002","90","","90","","120","","4091.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 65","P 65","170","","","","- C27 H31 F6 N2 P -","- C27 H31 F6 N2 P -","- C162 H186 F36 N12 P6 -","6","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.066","0.0517","","","0.1318","0.1392","","","","","","1.056","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032169","15.1197","0.0009","17.6938","0.0011","28.1469","0.0017","90","","90","","90","","7530","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Cu N2 -","- C27 H30 Cl Cu N2 -","- C324 H360 Cl12 Cu12 N24 -","12","3","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.1634","0.0679","","","0.0927","0.117","","","","","","0.971","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032170","9.6418","0.0005","13.0731","0.0007","16.4088","0.001","90","","90","","90","","2068.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 N2 P -","- C19 H27 F6 N2 P -","- C76 H108 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0439","","","0.1079","0.1132","","","","","","1.019","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032171","7.109","","18.078","","14.867","","90","","95.1","","90","","1903.09","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 S Se -","- C21 H18 O2 S Se -","- C84 H72 O8 S4 Se4 -","4","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0448","0.0323","","","0.0976","0.114","","","","","","0.792","","","","has coordinates","209501","2020-10-21","18:00:00",""
"4032172","7.317","","8.14","","18.413","","86.1","","80.49","","64.64","","977.378","","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cl O2 S Se -","- C19 H21 Cl O2 S Se -","- C38 H42 Cl2 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0932","0.06","","","0.2012","0.2497","","","","","","0.894","","","","has coordinates","193570","2020-10-21","18:00:00",""
"4032173","44.129","0.012","14.749","0.004","16.465","0.004","90","","108.637","0.003","90","","10154","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","49A","22-1 complex","","- C96 H92 N4 O12 S24 -","- C96 H92.91 N4 O12 S24 -","- C384 H371.64 N16 O48 S96 -","4","0.5","","Duedal, Troels; Nielsen, Kent A.; Olsen, Gunnar; Rasmussen, Charlotte B. G.; Kongsted, Jacob; Levillain, Eric; Breton, Tony; Miyazaki, Eigo; Takimiya, Kazuo; Bähring, Steffen; Jeppesen, Jan O.","Very Strong Binding for a Neutral Calix[4]pyrrole Receptor Displaying Positive Allosteric Binding.","The Journal of organic chemistry","2017","82","4","2123","2128","10.1021/acs.joc.6b02944","","","0.71073","MoKα","","0.119","0.0858","","","0.1732","0.19","","","","","","1.14","","","","has coordinates,has disorder","193567","2020-10-21","18:00:00",""
"4032174","17.3587","0.0013","5.2827","0.0004","26.4239","0.0015","90","","93.815","0.006","90","","2417.7","0.3","176","6","176","6","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C128 H80 N16 O16 -","8","1","","Liu, Xing-Xing; Luo, Xin-Liang; Wu, Zhao-Yang; Cui, Xin-Feng; Zhou, Xiao-Qiang; He, Yong-Qin; Huang, Guo-Sheng","Oxidative Recyclization of 1H-Indoles for Synthesis of 2-Indolylbenzoxazinones via Cleavage of the C2-C3 Bond with AIBN under Air.","The Journal of organic chemistry","2017","82","4","2107","2113","10.1021/acs.joc.6b02893","","x-ray","0.71073","MoKα","","0.0858","0.0543","","","0.1071","0.1309","","","","","","1.072","","","","has coordinates","193569","2020-10-21","18:00:00",""
"4032175","19.969","0.003","12.545","0.002","14.105","0.003","90","","96.313","0.004","90","","3512","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 Cl N O2 -","- C23 H14 Cl N O2 -","- C184 H112 Cl8 N8 O16 -","8","2","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.1427","0.0847","","","0.2668","0.3061","","","","","","1.083","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032176","4.0329","0.0008","12.808","0.002","14.479","0.004","90","","91.794","0.008","90","","747.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 N O2 -","- C23 H13 N O2 -","- C46 H26 N2 O4 -","2","1","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.0584","0.042","","","0.0945","0.1071","","","","","","1.095","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032177","9.4357","0.0007","18.8121","0.0014","12.7774","0.0009","90","","99.29","0.001","90","","2238.3","0.3","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Br N2 -","- C29 H21 Br N2 -","- C116 H84 Br4 N8 -","4","1","","He, Ying-Ying; Sun, Xiao-Xue; Li, Guo-Hao; Mei, Guang-Jian; Shi, Feng","Substrate-Controlled Regioselective Arylations of 2-Indolylmethanols with Indoles: Synthesis of Bis(indolyl)methane and 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2017","82","5","2462","2471","10.1021/acs.joc.6b02850","","","0.71073","MoKα","","0.0522","0.0349","","","0.0804","0.0867","","","","","","1.021","","","","has coordinates","193550","2020-10-21","18:00:00",""
"4032178","9.3524","0.0003","9.4185","0.0003","12.0991","0.0004","109.872","0.0017","106.528","0.0017","92.9933","0.0016","947.68","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0503","0.0375","","","0.0921","0.1012","","","","","","1.044","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032179","9.4346","0.0002","13.9909","0.0004","14.0519","0.0004","90","","90","","90","","1854.83","0.08","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0382","0.0294","","","0.0649","0.0691","","","","","","1.047","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032180","17.3073","0.0007","9.4291","0.0004","17.5336","0.0007","90","","90","","90","","2861.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0632","0.0385","","","0.0875","0.1009","","","","","","1.053","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032181","9.43","0.007","17.122","0.013","11.039","0.008","90","","102.114","0.008","90","","1743","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.1082","0.0648","","","0.1924","0.237","","","","","","1.018","","","","has coordinates","193561","2020-10-21","18:00:00",""
"4032182","10.6227","0.0002","11.7438","0.0003","18.1448","0.0005","75.979","0.002","86.878","0.002","75.535","0.002","2126.48","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","2","","Guchhait, Sankar K.; Hura, Neha; Shah, Archana P.","Synthesis of Polysubstituted 2-Aminoimidazoles via Alkene-Diamination of Guanidine with Conjugated α-Bromoalkenones.","The Journal of organic chemistry","2017","82","5","2745","2752","10.1021/acs.joc.6b03021","","x-ray","0.71073","MoKα","","0.0718","0.0553","","","0.1545","0.1705","","","","","","1.035","","","","has coordinates","193556","2020-10-21","18:00:00",""
"4032183","16.953","0.002","10.6145","0.0014","22.394","0.003","90","","108.248","0.005","90","","3827.1","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0666","0.0582","","","0.1727","0.1802","","","","","","1.077","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032184","23.0446","0.0019","6.2463","0.0005","15.0567","0.0012","90","","99.378","0.003","90","","2138.3","0.3","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0422","0.0379","","","0.1027","0.1063","","","","","","1.046","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032185","25.879","0.002","7.4025","0.0006","13.146","0.001","90","","93.35","0.004","90","","2514.1","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.1014","0.0658","","","0.1662","0.182","","","","","","1.056","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032186","9.9417","0.0004","10.1104","0.0004","10.6132","0.0005","87.141","0.002","69.537","0.002","75.045","0.002","964.65","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C44 H32 N8 O6 -","2","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.0515","0.0419","","","0.1408","0.1613","","","","","","0.787","","","","has coordinates","193551","2020-10-21","18:00:00",""
"4032187","7.2554","0.0001","15.7659","0.0003","16.4944","0.0003","90","","90","","90","","1886.76","0.06","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O5 S -","- C18 H14 I N O5 S -","- C72 H56 I4 N4 O20 S4 -","4","1","","Zhang, Sheng; Li, Lijun; Xin, Lilan; Liu, Wenmin; Xu, Kun","Asymmetric Aziridination of N-Sulphonyl Ketimines with Unfunctionalized Ketones: A One-pot Approach to Multisubstituted Fused Aziridines.","The Journal of organic chemistry","2017","82","5","2399","2406","10.1021/acs.joc.6b02827","","","1.54184","CuKα","","0.0852","0.0842","","","0.2177","0.2203","","","","","","1.047","","","","has coordinates","193555","2020-10-21","18:00:00",""
"4032188","9.083","0.002","10.211","0.002","35.645","0.007","90","","91.08","0.03","90","","3305.4","1.2","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 N O4 S2 -","- C42 H33 N O4 S2 -","- C168 H132 N4 O16 S8 -","4","1","","Raji Reddy, Chada; Rani Valleti, Reddi; Sathish, Puppala","[4 + 2] Benzannulation of 3-Alkenylpyrroles/Thiophenes with Propargylic Alcohols: Access to Substituted Indoles, Benzothiophenes, and Aza[5]helicenes.","The Journal of organic chemistry","2017","82","5","2345","2354","10.1021/acs.joc.6b02637","","","0.71073","MoKα","","0.066","0.0565","","","0.1474","0.1545","","","","","","1.034","","","","has coordinates,has disorder","193553","2020-10-21","18:00:00",""
"4032189","9.4036","0.0012","13.463","0.002","14.262","0.002","68.045","0.005","86.331","0.007","72.802","0.007","1597.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BC-Ar","","","- C37 H38 Br N4 O3 -","- C37 H38 Br N4 O3 -","- C74 H76 Br2 N8 O6 -","2","1","","Zhang, Shaofei; Lindsey, Jonathan S.","Construction of the Bacteriochlorin Macrocycle with Concomitant Nazarov Cyclization To Form the Annulated Isocyclic Ring: Analogues of Bacteriochlorophyll a.","The Journal of organic chemistry","2017","82","5","2489","2504","10.1021/acs.joc.6b02878","","","0.71073","MoKα","","0.0663","0.038","","","0.0751","0.0828","","","","","","1.008","","","","has coordinates","193554","2020-10-21","18:00:00",""
"4032190","9.794","0.002","16.232","0.002","17.356","0.003","90","","105.695","0.011","90","","2656.3","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 N O6 S -","- C31 H31 N O6 S -","- C124 H124 N4 O24 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0257","0.0251","","","0.0681","0.0686","","","","","","1.034","","","","has coordinates","193552","2020-10-21","18:00:00",""
"4032191","15.0129","0.0004","10.2314","0.0002","21.1073","0.0006","90","","101.85","0.001","90","","3173.05","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H39 N O5 S -","- C40.5 H39 N O5 S -","- C162 H156 N4 O20 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0879","0.0813","","","0.316","0.3271","","","","","","1.534","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4032192","6.2759","0.0002","9.9429","0.0003","23.3483","0.0006","90","","90","","90","","1456.95","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Milbeo, Pierre; Moulat, Laure; Didierjean, Claude; Aubert, Emmanuel; Martinez, Jean; Calmès, Monique","Synthesis of Enantiopure 1,2-Diaminobicyclo[2.2.2]octane Derivatives, C1-Symmetric Chiral 1,2-Diamines with a Rigid Bicyclic Backbone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00122","","","1.54184","CuKα","","0.0434","0.0392","","","0.0983","0.103","","","","","","1.061","","","","has coordinates","192649","2020-10-21","18:00:00",""
"4032193","11.197","0.005","21.811","0.005","11.71","0.005","90","0.005","101.201","0.005","90","0.005","2805.3","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F N2 O6 S -","- C31 H31 F N2 O6 S -","- C124 H124 F4 N8 O24 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1802","0.075","","","0.1484","0.1912","","","","","","1.031","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032194","15.4759","0.0009","9.5223","0.0005","18.2158","0.0009","90","","110.754","0.002","90","","2510.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O4 S -","- C29 H30 N2 O4 S -","- C116 H120 N8 O16 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1394","0.0648","","","0.1226","0.148","","","","","","1.033","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032195","7.517","0.003","9.801","0.004","11.65","0.005","113.325","0.007","97.507","0.007","97.595","0.007","765.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Wang, Wenhui; Han, Junwen; Sun, Jinwei; Liu, Yun","CuBr-Catalyzed Aerobic Decarboxylative Cycloaddition for the Synthesis of Indolizines under Solvent-Free Conditions.","The Journal of organic chemistry","2017","82","6","2835","2842","10.1021/acs.joc.6b02455","","","0.71073","MoKα","","0.0536","0.0414","","","0.1143","0.1223","","","","","","1.093","","","","has coordinates","194854","2020-10-21","18:00:00",""
"4032196","6.3339","0.0012","12.98","0.003","15.571","0.003","75.326","0.009","86.373","0.006","76.86","0.006","1206","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 Br2 O4 -","- C24 H28 Br2 O4 -","- C48 H56 Br4 O8 -","2","1","","Guchhait, Sandip; Chatterjee, Shamba; Ampapathi, Ravi Sankar; Goswami, Rajib Kumar","Total Synthesis of Reported Structure of Baulamycin A and Its Congeners.","The Journal of organic chemistry","2017","82","5","2414","2435","10.1021/acs.joc.6b02838","","","0.71073","MoKα","","0.1889","0.0584","","","0.118","0.1574","","","","","","0.974","","","","has coordinates","193559","2020-10-21","18:00:00",""
"4032197","11.1054","0.0003","13.0801","0.0004","14.4592","0.0004","90","","92.462","0.001","90","","2098.4","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","2","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0265","0.0265","","","0.0674","0.0675","","","","","","1.06","","","","has coordinates","194858","2020-10-21","18:00:00",""
"4032198","7.34","0.0015","15.44","0.003","16.48","0.003","114.57","0.03","97.75","0.03","94.55","0.03","1663.9","0.7","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C25.66667 H34.66667 O5.66667 -","- C25.6667 H34.6667 O5.66667 -","- C77 H104 O17 -","3","3","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0672","0.0648","","","0.1746","0.1779","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032199","9.1127","0.0007","11.0557","0.0009","12.2422","0.0009","115.584","0.002","100.509","0.002","94.304","0.002","1077.2","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C54 H48 O8 -","2","1","","Novikov, Roman A.; Tarasova, Anna V.; Denisov, Dmitry A.; Borisov, Denis D.; Korolev, Victor A.; Timofeev, Vladimir P.; Tomilov, Yury V.","[4 + 2] Annulation of Donor-Acceptor Cyclopropanes with Acetylenes Using 1,2-Zwitterionic Reactivity.","The Journal of organic chemistry","2017","82","5","2724","2738","10.1021/acs.joc.7b00209","","","0.71073","MoKα","","0.0864","0.0589","","","0.1161","0.1318","","","","","","1.09","","","","has coordinates","193560","2020-10-21","18:00:00",""
"4032200","16.9808","0.0005","19.2205","0.0005","9.7931","0.0003","90","","99.3754","0.0017","90","","3153.57","0.16","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O8 S -","- C30 H36 N6 O8 S -","- C120 H144 N24 O32 S4 -","4","1","","Inoue, Naoya; Nakano, Shun-Ichi; Harada, Shingo; Hamada, Yasumasa; Nemoto, Tetsuhiro","Synthetic Study of Dragmacidin E: Construction of the Core Structure Using Pd-Catalyzed Cascade Cyclization and Rh-Catalyzed Aminoacetoxylation.","The Journal of organic chemistry","2017","82","5","2787","2793","10.1021/acs.joc.7b00083","","","1.54187","CuKα","","0.0982","0.0714","","","0.1451","0.1556","","","","","","0.99","","","","has coordinates","193563","2020-10-21","18:00:00",""
"4032201","6.2573","0.0008","14.6575","0.0016","18.162","0.002","90","","92.354","0.004","90","","1664.3","0.3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","phenyl(1-phenylnaphtalen-2-yl)selane","phenyl(1-phenylnaphtalen-2-yl)selane","","- C22 H16 Se -","- C22 H16 Se -","- C88 H64 Se4 -","4","1","","Recchi, Ana M. S.; Back, Davi F.; Zeni, Gilson","Sequential Carbon-Carbon/Carbon-Selenium Bond Formation Mediated by Iron(III) Chloride and Diorganyl Diselenides: Synthesis and Reactivity of 2-Organoselenyl-Naphthalenes.","The Journal of organic chemistry","2017","82","5","2713","2723","10.1021/acs.joc.7b00050","","","0.71073","MoKα","","0.0621","0.0474","","","0.1262","0.1458","","","","","","1.096","","","","has coordinates","193564","2020-10-21","18:00:00",""
"4032202","9.8413","0.0018","10.0342","0.0018","13.628","0.003","93.941","0.002","107.147","0.002","108.694","0.002","1198.1","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br F N O2 -","- C30 H21 Br F N O2 -","- C60 H42 Br2 F2 N2 O4 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.0979","0.0508","","","0.1269","0.1729","","","","","","1.043","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032203","6.927","0.006","11.029","0.01","14.424","0.013","83.271","0.012","82.416","0.011","72.366","0.011","1037.5","1.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Br O3 -","- C24 H19 Br O3 -","- C48 H38 Br2 O6 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1126","0.0475","","","0.1126","0.1442","","","","","","0.982","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032204","8.962","0.005","16.83","0.008","12.534","0.006","90","","93.461","0.007","90","","1887.1","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1198","0.0634","","","0.1547","0.1944","","","","","","0.985","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032205","11.8124","0.0005","14.2482","0.0006","12.3794","0.0006","90","","102.181","0.002","90","","2036.61","0.16","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C92 H88 N8 O8 S4 -","4","1","","Hu, Zhiyuan; Zhao, Ting; Wang, Manman; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Intramolecular C-H Amidation for the Synthesis of N-Substituted Benzimidazoles.","The Journal of organic chemistry","2017","82","6","3152","3158","10.1021/acs.joc.7b00142","","","0.71073","MoKα","","0.083","0.0592","","","0.1599","0.1822","","","","","","1.292","","","","has coordinates","194856","2020-10-21","18:00:00",""
"4032206","19.003","0.0011","23.7576","0.0013","10.0893","0.0006","90","","90","","90","","4555","0.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","12246c","","","- C55 H45 Cl N O5 P2 Rh -","- C55 H45 Cl N O5 P2 Rh -","- C220 H180 Cl4 N4 O20 P8 Rh4 -","4","1","","Hoang, Giang T.; Walsh, Dylan J.; McGarry, Kathryn A.; Anderson, Constance B.; Douglas, Christopher J.","Development and Mechanistic Study of Quinoline-Directed Acyl C-O Bond Activation and Alkene Oxyacylation Reactions.","The Journal of organic chemistry","2017","82","6","2972","2983","10.1021/acs.joc.6b03011","","","0.71073","MoKα","","0.0391","0.0311","","","0.0627","0.0658","","","","","","1.034","","","","has coordinates","194859","2020-10-21","18:00:00",""
"4032207","13.2276","0.0004","13.4508","0.0003","13.5559","0.0004","90","","118.298","0.004","90","","2123.65","0.13","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H37.5 B F10 N4.5 O2 Rh -","- C41 H37.5 B F10 N4.5 O2 Rh -","- C82 H75 B2 F20 N9 O4 Rh2 -","2","1","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.0351","0.0334","","","0.0876","0.0897","","","","","","1.058","","","","has coordinates,has disorder","193209","2020-10-21","18:00:00",""
"4032208","8.921","0.003","9.782","0.003","14.502","0.004","105.524","0.004","92.529","0.004","112.732","0.004","1109","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C56 H42 N6 O4 -","2","1","","Das, Tuluma; Debnath, Sudipto; Maiti, Rituparna; Maiti, Dilip K.","Multifold C-C Coupling and Unorthodox Cyclization Catalysis for Selective Synthesis of Indolotriarylmethanes, Indolocarbazoles, and Their Analogues: A Control Experiment Study.","The Journal of organic chemistry","2017","82","1","688","700","10.1021/acs.joc.6b02689","","","0.71073","MoKα","","0.1052","0.0707","","","0.0961","0.1029","","","","","","2.094","","","","has coordinates","193210","2020-10-21","18:00:00",""
"4032209","21.8138","0.0007","7.3006","0.0002","21.2458","0.0008","90","","110.154","0.004","90","","3176.3","0.2","293","2","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Organic Sample","","- C30 H25 O4 -","- C30.4 H28.8 O6.4 -","- C152 H144 O32 -","5","0.625","","Suchand, Basuli; Satyanarayana, Gedu","Palladium-Catalyzed Acylations: One-Pot Synthesis of Indenones.","The Journal of organic chemistry","2017","82","1","372","381","10.1021/acs.joc.6b02453","","","0.7107","MoKα","","0.0888","0.0588","","","0.1762","0.2076","","","","","","1.145","","","","has coordinates","193211","2020-10-21","18:00:00",""
"4032210","16.865","0.007","24.087","0.01","6.115","0.003","90","","90","","90","","2484.1","1.9","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H27 N2 O5 S2 -","- C25 H27 N2 O5 S2 -","- C100 H108 N8 O20 S8 -","4","1","","Zhao, Senzhi; Andrade, Rodrigo B.","Development and Scope of the Arene-Fused Domino Michael/Mannich Reaction: Application to the Total Syntheses of Aspidosperma Alkaloids (-)-Aspidospermidine, (-)-Tabersonine, and (-)-Vincadifformine.","The Journal of organic chemistry","2017","82","1","521","531","10.1021/acs.joc.6b02551","","","0.71073","MoKα","","0.0742","0.045","","","0.1004","0.116","","","","","","1.059","","","","has coordinates","193212","2020-10-21","18:00:00",""
"4032211","9.7434","0.0005","3.9162","0.0002","26.2218","0.0012","90","","95.4561","0.0015","90","","996.01","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N3 S -","- C11 H7 N3 S -","- C44 H28 N12 S4 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.0746","0.065","","","0.1505","0.1666","","","","","","1.178","","","","has coordinates","193213","2020-10-21","18:00:00",""
"4032212","14.1851","0.0005","9.0849","0.0005","8.6746","0.0007","90","","90","","90","","1117.9","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H6 Cl N O S2 -","- C11 H6 Cl N O S2 -","- C44 H24 Cl4 N4 O4 S8 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.1035","0.0586","","","0.1371","0.1993","","","","","","1.135","","","","has coordinates","193214","2020-10-21","18:00:00",""
"4032213","10.4251","0.0002","12.3394","0.0003","14.8471","0.0003","81.0026","0.001","79.8305","0.0012","72.2883","0.0011","1780.04","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 Fe N7 -","- C37 H51 Fe N7 -","- C74 H102 Fe2 N14 -","2","1","","Spahn, Nathan A.; Nguyen, Minh H.; Renner, Jonas; Lane, Timothy K.; Louie, Janis","Regioselective Iron-Catalyzed [2 + 2 + 2] Cycloaddition Reaction Forming 4,6-Disubstituted 2-Aminopyridines from Terminal Alkynes and Cyanamides.","The Journal of organic chemistry","2017","82","1","234","242","10.1021/acs.joc.6b02374","","","0.71073","MoKα","","0.0586","0.0407","","","0.0973","0.1067","","","","","","1.029","","","","has coordinates","193215","2020-10-21","18:00:00",""
"4032214","6.0519","0.0003","7.661","0.0004","11.9361","0.0006","88.489","0.004","87.47","0.004","86.454","0.004","551.65","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","1","1","","Ručil, Tomáš; Trávníček, Zdeněk; Cankař, Petr","Ring-Opening Reactions of the N-4-Nosyl Hough-Richardson Aziridine with Nitrogen Nucleophiles.","The Journal of organic chemistry","2017","82","1","723","730","10.1021/acs.joc.6b01942","","","0.71073","MoKα","","0.0571","0.0462","","","0.0996","0.1047","","","","","","1.053","","","","has coordinates","193216","2020-10-21","18:00:00",""
"4032215","7.2594","0.0003","10.1015","0.0004","26.4392","0.0012","90","","90","","90","","1938.81","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.055","0.0486","","","0.121","0.1264","","","","","","1.06","","","","has coordinates","193217","2020-10-21","18:00:00",""
"4032216","11.1118","0.0009","21.422","0.0018","10.2188","0.0009","90","","90","","90","","2432.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H29 N O6 S Si -","- C23 H29 N O6 S Si -","- C92 H116 N4 O24 S4 Si4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.0744","0.0445","","","0.0704","0.0788","","","","","","1.022","","","","has coordinates","193218","2020-10-21","18:00:00",""
"4032217","8.0753","0.0009","24.06","0.003","9.5701","0.001","90","","96.738","0.005","90","","1846.5","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O5 -","- C21 H15 Br O5 -","- C84 H60 Br4 O20 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1365","0.0623","","","0.1501","0.2097","","","","","","1.105","","","","has coordinates,has disorder","193219","2020-10-21","18:00:00",""
"4032218","8.716","0.0008","9.5661","0.0006","27.714","0.002","90","","93.51","0.004","90","","2306.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br N O6 -","- C25 H22 Br N O6 -","- C100 H88 Br4 N4 O24 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1354","0.0596","","","0.1389","0.2125","","","","","","1.034","","","","has coordinates,has disorder","193220","2020-10-21","18:00:00",""
"4032219","35.968","0.006","13.63","0.003","10.231","0.002","90","","93.174","0.01","90","","5008","1.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N O5 -","- C24 H24 Br N O5 -","- C192 H192 Br8 N8 O40 -","8","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.099","0.047","","","0.1006","0.1147","","","","","","0.921","","","","has coordinates","193221","2020-10-21","18:00:00",""
"4032220","7.813","0.0001","11.5034","0.0002","14.4925","0.0002","90","","90","","90","","1302.53","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I O4 -","- C11 H17 I O4 -","- C44 H68 I4 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0221","0.021","","0.0511","0.0504","0.0511","","","","","","1.0039","","","","has coordinates","193222","2020-10-21","18:00:00",""
"4032221","16.8154","0.0008","4.5652","0.0002","15.701","0.0008","90","","120.592","0.0019","90","","1037.53","0.09","200","","200","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0339","0.0306","","0.0734","0.0708","0.0734","","","","","","0.9928","","","","has coordinates","193223","2020-10-21","18:00:00",""
"4032222","17.5832","0.0015","4.7115","0.0001","13.4131","0.0008","90","","111.36","0.012","90","","1034.86","0.14","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0222","0.0217","","0.0594","0.0587","0.0594","","","","","","1.0009","","","","has coordinates","193224","2020-10-21","18:00:00",""
"4032223","7.445","0.004","12.465","0.005","16.095","0.006","90","","90","","90","","1493.6","1.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Majewski, Mark W.; Miller, Patricia A.; Oliver, Allen G.; Miller, Marvin J.","Alternate ""Drug"" Delivery Utilizing β-Lactam Cores: Syntheses and Biological Evaluation of β-Lactams Bearing Isocyanate Precursors.","The Journal of organic chemistry","2017","82","1","737","744","10.1021/acs.joc.6b02272","","","1.54184","CuKα","","0.041","0.0401","","","0.1058","0.107","","","","","","1.034","","","","has coordinates","193225","2020-10-21","18:00:00",""
"4032224","6.153","0.002","28.21","0.009","9.988","0.003","90","","90.59","0.007","90","","1733.6","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1082","0.1011","","","0.2978","0.3034","","","","","","1.112","","","","has coordinates","193226","2020-10-21","18:00:00",""
"4032225","36.221","0.007","6.0462","0.0011","20.697","0.004","90","","120.45","0.002","90","","3907.5","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C176 H184 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0405","0.0343","","","0.0936","0.0988","","","","","","1.073","","","","has coordinates","193227","2020-10-21","18:00:00",""
"4032226","18.318","0.006","5.547","0.002","20.496","0.007","90","","109.811","0.006","90","","1959.3","1.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0955","0.05","","","0.1086","0.1266","","","","","","1.015","","","","has coordinates","193228","2020-10-21","18:00:00",""
"4032227","10.2479","0.0006","9.0512","0.0004","19.2696","0.0012","90","","94.084","0.004","90","","1782.83","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S2 -","- C20 H21 N O2 S2 -","- C80 H84 N4 O8 S8 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0853","","","0.2079","0.2312","","","","","","1.138","","","","has coordinates","193229","2020-10-21","18:00:00",""
"4032228","12.3783","0.0009","17.2914","0.0013","18.284","0.0014","90","","90","","90","","3913.5","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C184 H200 N8 O16 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0947","0.0445","","","0.1062","0.1311","","","","","","1.009","","","","has coordinates","193230","2020-10-21","18:00:00",""
"4032229","8.0991","0.0003","11.0021","0.0004","12.0817","0.0004","95.876","0.002","96.881","0.002","97.458","0.002","1052.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C48 H50 N2 O8 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0974","0.0656","","","0.1692","0.19","","","","","","1.065","","","","has coordinates,has disorder","193231","2020-10-21","18:00:00",""
"4032230","10.759","0.0012","14.439","0.0015","15.4335","0.0015","86.843","0.003","89.521","0.003","80.881","0.003","2363.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1199","0.0594","","","0.1131","0.1454","","","","","","0.99","","","","has coordinates","193232","2020-10-21","18:00:00",""
"4032231","6.0902","0.0006","14.6898","0.0015","23.027","0.003","90","","91.588","0.007","90","","2059.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.155","0.0558","","","0.1041","0.1376","","","","","","0.998","","","","has coordinates","193233","2020-10-21","18:00:00",""
"4032232","12.0743","0.0016","13.2209","0.0018","17.073","0.002","71.182","0.003","73.445","0.003","83.504","0.003","2472.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded Porphyrin","Heterocyclic Macrocycle","","- C118 H114 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","1","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.1292","0.0737","","","0.1876","0.2249","","","","","","1.038","","","","has coordinates,has disorder","193234","2020-10-21","18:00:00",""
"4032233","12.123","0.006","18.835","0.01","19.026","0.01","113.593","0.005","100.841","0.006","90.554","0.006","3893","3","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded phorphyrin","Fused Heterocyclic macrocycle","","- C88 H58 F10 N4 O3 S4 -","- C88 H58 F10 N4 O3 S4 -","- C176 H116 F20 N8 O6 S8 -","2","1","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.0947","0.0677","","","0.1828","0.2107","","","","","","1.023","","","","has coordinates,has disorder","193235","2020-10-21","18:00:00",""
"4032234","35.044","0.002","8.284","0.0006","12.6899","0.0007","90","","98.376","0.005","90","","3644.6","0.4","292.81","0.1","292.81","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Chen, Jian-Qiang; Yu, Wan-Lei; Wei, Yun-Long; Li, Teng-Hui; Xu, Peng-Fei","Photoredox-Induced Functionalization of Alkenes for the Synthesis of Substituted Imidazolines and Oxazolidines.","The Journal of organic chemistry","2017","82","1","243","249","10.1021/acs.joc.6b02377","","","0.71073","MoKα","","0.0885","0.0524","","","0.1134","0.1384","","","","","","1.039","","","","has coordinates","193236","2020-10-21","18:00:00",""
"4032235","14.384","0.005","10.019","0.005","15.264","0.005","90","0.005","102.399","0.005","90","0.005","2148.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 F N O -","- C25 H24 F N O -","- C100 H96 F4 N4 O4 -","4","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.18","0.0624","","","0.1425","0.19","","","","","","0.801","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032236","17.566","0.005","16.38","0.005","22.132","0.005","90","0.005","90","0.005","90","0.005","6368","3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C39 H35 N O -","- C39 H35 N O -","- C312 H280 N8 O8 -","8","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.1249","0.064","","","0.1648","0.2075","","","","","","0.944","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032237","7.8315","0.001","17.644","0.002","13.1719","0.0019","90","","96.333","0.011","90","","1809","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.1101","0.0396","","","0.0757","0.0829","","","","","","1","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032238","8.0289","0.0003","10.1511","0.0005","22.4007","0.0012","82.712","0.004","86.457","0.004","86.322","0.004","1804.57","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","2","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1047","0.0592","","","0.1644","0.2027","","","","","","1.007","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032239","10.4037","0.0006","8.6319","0.0004","19.9954","0.0014","90","","92.563","0.006","90","","1793.86","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1459","0.0585","","","0.1226","0.1605","","","","","","1.004","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032240","7.8569","0.0005","18.165","0.002","14.8317","0.0017","90","","98.142","0.008","90","","2095.5","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.0972","0.0386","","","0.077","0.0817","","","","","","1.009","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032241","13.6688","0.0004","21.5451","0.0007","16.0285","0.0003","90","","90.831","0.002","90","","4719.8","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-2,3-diphenyl-7H-imidazo[2,1-a]pyrrolo[3,2-c]isoquinoline","","- C32 H24 N3 O0.5 -","- C32 H24 N3 O0.5 -","- C256 H192 N24 O4 -","8","2","","Tomashenko, Olesya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","NHC as the Guiding Factor in a Copper-Catalyzed Intramolecular C Arylation of Pyrrolylimidazolium Salts: Synthesis of Luminescent Heterotetracyclic Frameworks.","The Journal of organic chemistry","2017","82","1","616","623","10.1021/acs.joc.6b02627","","","1.54184","CuKα","","0.0519","0.0437","","","0.1069","0.1129","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032242","11.9329","0.0019","6.4776","0.0008","14.471","0.004","90","","107.99","0.02","90","","1063.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 O2 -","- C13 H15 O2 -","- C52 H60 O8 -","4","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","","0.7107","MoKα","","0.1183","0.08","","","0.2033","0.2494","","","","","","1.246","","","","has coordinates","193240","2020-10-21","18:00:00",""
"4032243","8.1146","0.0011","19.14","0.003","11.5187","0.0016","90","","110.431","0.003","90","","1676.5","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(2-(5-bromo-2-methyl-1H-indol-3-yl)-1-phenylethyl)acetamide","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C76 H76 Br4 N8 O4 -","4","2","","Salikov, Rinat F.; Trainov, Konstantin P.; Levina, Anastasia A.; Belousova, Irina K.; Medvedev, Michael G.; Tomilov, Yury V.","Synthesis of Branched Tryptamines via the Domino Cloke-Stevens/Grandberg Rearrangement.","The Journal of organic chemistry","2017","82","1","790","795","10.1021/acs.joc.6b02578","","","0.71073","MoKα","","0.0567","0.0382","","","0.0718","0.0772","","","","","","0.898","","","","has coordinates","193241","2020-10-21","18:00:00",""
"4032244","11.2358","0.0006","11.5376","0.0006","12.5681","0.0009","85.28","0.005","89.607","0.005","87.723","0.004","1622.44","0.17","294.44","0.1","294.44","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 O7 -","- C38 H46 O7 -","- C76 H92 O14 -","2","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.109","0.0792","","","0.2094","0.2369","","","","","","1.043","","","","has coordinates","193242","2020-10-21","18:00:00",""
"4032245","12.7954","0.0006","10.4","0.0006","16.4115","0.0008","90","","105.687","0.006","90","","2102.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C100 H104 O16 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.1192","0.0614","","","0.1113","0.1505","","","","","","1.068","","","","has coordinates","193243","2020-10-21","18:00:00",""
"4032246","12.8918","0.0005","11.5509","0.0005","12.5129","0.0005","90","","100.235","0.004","90","","1833.67","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","1.54184","CuKα","","0.0488","0.0471","","","0.1226","0.1244","","","","","","1.046","","","","has coordinates","193244","2020-10-21","18:00:00",""
"4032247","12.843","0.012","11.009","0.01","18.175","0.017","90","","103.298","0.012","90","","2501","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N5 O3 -","- C29 H21 N5 O3 -","- C116 H84 N20 O12 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1038","0.0611","","","0.1786","0.2123","","","","","","1.005","","","","has coordinates","193245","2020-10-21","18:00:00",""
"4032248","13.565","0.011","11.634","0.009","14.456","0.011","90","","93.247","0.012","90","","2278","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N5 O S -","- C27 H19 N5 O S -","- C108 H76 N20 O4 S4 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1012","0.0461","","","0.0998","0.12","","","","","","1.026","","","","has coordinates","193246","2020-10-21","18:00:00",""
"4032249","20.8628","0.0009","21.7014","0.0013","22.9812","0.001","90","","116.1","0.002","90","","9343.8","0.8","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C198 H211 N24 O21.5 S9 -","- C198 H210 N24 O21.5 S9 -","- C396 H420 N48 O43 S18 -","2","1","","Wang, Zhenzhen; Nour, Hany F.; Roch, Loïc M; Guo, Minjie; Li, Wenjiao; Baldridge, Kim K.; Sue, Andrew C. H.; Olson, Mark A.","[3+3] Cyclocondensation of Disubstituted Biphenyl Dialdehydes: Access to Inherently Luminescent and Optically Active Hexa-substituted C3-Symmetric and Asymmetric Trianglimine Macrocycles.","The Journal of organic chemistry","2017","82","5","2472","2480","10.1021/acs.joc.6b02868","","","0.71073","MoKα","","0.0424","0.0391","","","0.1013","0.1036","","","","","","1.037","","","","has coordinates,has disorder","193247","2020-10-21","18:00:00",""
"4032250","12.3866","0.00018","27.0237","0.0004","16.157","0.0003","90","","103.096","0.0015","90","","5267.6","0.15","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H72 Cl N O11 P -","- C49 Cl N1.5 O10.5 P -","- C196 Cl4 N6 O42 P4 -","4","2","","Liu, Shuang; Li, Yuming; Yin, Zhiyu; Yu, Qiuli; Miao, Zhiwei","Diastereoselective Synthesis of Adjacent P,C-Stereogenic β-N-Glycosidic Linked α-Aminophosphinates.","The Journal of organic chemistry","2017","82","5","2481","2488","10.1021/acs.joc.6b02877","","x-ray","0.71073","MoKα","","0.074","0.0694","","","0.2041","0.208","","","","","","1.622","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032251","12.6934","0.0011","18.5229","0.0016","14.3034","0.0012","90","","112.18","0.0012","90","","3114.1","0.5","100","2","100.62","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 B N O2 -","- C35 H46 B N O2 -","- C140 H184 B4 N4 O8 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.0596","0.0529","","","0.1298","0.1355","","","","","","1.033","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032252","18.851","0.006","17.727","0.006","18.924","0.006","90","","96.903","0.005","90","","6278","4","101","2","101.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H92 B2 N2 O5 -","- C67 H92 B2 N2 O5 -","- C268 H368 B8 N8 O20 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.1061","0.0719","","","0.1758","0.1971","","","","","","1.014","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032253","6.75819","0.00013","8.55021","0.00016","24.5163","0.0005","90","","97.7995","0.0019","90","","1403.54","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Huang, Jin; Wang, Wei; He, Hai-Yu; Jian, Lei; Fu, Hai-Yan; Zheng, Xue-Li; Chen, Hua; Li, Rui-Xiang","An Approach to the Synthesis of 1-Propenylnaphthols and 3-Arylnaphtho[2,1-b]furans.","The Journal of organic chemistry","2017","82","5","2523","2534","10.1021/acs.joc.6b02902","","x-ray","1.54184","CuKα","","0.0552","0.0514","","","0.1391","0.1445","","","","","","1.0658","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032254","8.95","0.001","9.477","0.001","32.179","0.002","83.849","0.002","87.952","0.002","64.773","0.001","2454.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F9 N3 O -","- C15 H8 F9 N3 O -","- C90 H48 F54 N18 O6 -","6","3","","Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu","Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies.","The Journal of organic chemistry","2017","82","5","2336","2344","10.1021/acs.joc.6b02570","","","0.71073","MoKα","","0.1039","0.0686","","","0.1757","0.2111","","","","","","1.175","","","","has coordinates,has disorder","193251","2020-10-21","18:00:00",""
"4032255","15.5375","0.001","6.0426","0.0004","23.7983","0.0016","90","","93.08","0.003","90","","2231.1","0.3","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 B Cl2 F2 N2 -","- C27 H17 B Cl2 F2 N2 -","- C108 H68 B4 Cl8 F8 N8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0626","0.0408","","","0.0985","0.1091","","","","","","1.034","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032256","27.801","0.003","8.5828","0.0011","25.471","0.004","90","","105.021","0.01","90","","5870","1.4","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 B F2 N2 -","- C39 H27 B F2 N2 -","- C312 H216 B8 F16 N16 -","8","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1578","0.0767","","","0.1759","0.218","","","","","","0.981","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032257","13.7912","0.0004","10.6546","0.0004","15.2354","0.0006","90","","99.863","0.002","90","","2205.6","0.14","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 B Cl4 F2 N2 O2 -","- C23 H13 B Cl4 F2 N2 O2 -","- C92 H52 B4 Cl16 F8 N8 O8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0614","0.0453","","","0.1209","0.1303","","","","","","1.041","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032258","13.0943","0.0015","13.8006","0.0016","17.659","0.002","83.546","0.007","83.396","0.007","80.198","0.007","3109.6","0.6","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 B Cl2 F2 N2 O4 -","- C37 H27 B Cl2 F2 N2 O4 -","- C148 H108 B4 Cl8 F8 N8 O16 -","4","2","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1765","0.0926","","","0.2124","0.2638","","","","","","0.95","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032259","6.4378","0.0003","13.1056","0.0007","15.3828","0.0008","84.902","0.002","79.56","0.002","84.62","0.002","1267.33","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 B Cl2 F2 N3 O2 -","- C30 H20 B Cl2 F2 N3 O2 -","- C60 H40 B2 Cl4 F4 N6 O4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0524","0.0377","","","0.0853","0.0921","","","","","","1.023","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032260","9.8322","0.0008","13.3203","0.0011","15.0587","0.0012","72.208","0.006","74.473","0.006","81.456","0.006","1804.5","0.3","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 B F2 N3 O2 S2 -","- C38 H26 B F2 N3 O2 S2 -","- C76 H52 B2 F4 N6 O4 S4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1056","0.0616","","","0.153","0.17","","","","","","1.009","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032261","10.3829","0.0009","14.3659","0.0014","15.0975","0.0014","75.674","0.007","89.346","0.007","78.359","0.007","2135.3","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C45 H32 B Cl3 F2 N4 O3 -","- C45 H32 B Cl3 F2 N4 O3 -","- C90 H64 B2 Cl6 F4 N8 O6 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1289","0.1046","","","0.3218","0.3413","","","","","","1.28","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032262","9.5297","0.0018","13.296","0.003","15.643","0.003","90","","90","","90","","1982.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C80 H80 N8 O28 S4 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.0449","0.0344","","","0.075","0.0812","","","","","","1.049","","","","has coordinates","193253","2020-10-21","18:00:00",""
"4032263","7.5338","0.0002","15.4969","0.0004","17.657","0.0005","90","","90","","90","","2061.46","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0301","0.0301","","","0.0778","0.0778","","","","","","1.103","","","","has coordinates","193254","2020-10-21","18:00:00",""
"4032264","13.1263","0.0009","18.8252","0.0013","13.4559","0.001","90","","112.916","0.009","90","","3062.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","2","","Ali, Wajid; Dahiya, Anjali; Pandey, Ramdhari; Alam, Tipu; Patel, Bhisma K.","Microwave-Assisted Cascade Strategy for the Synthesis of Indolo[2,3-b]quinolines from 2-(Phenylethynyl)anilines and Aryl Isothiocynates.","The Journal of organic chemistry","2017","82","4","2089","2096","10.1021/acs.joc.6b02912","","","0.71073","MoKα","","0.1307","0.0811","","","0.1604","0.19","","","","","","1.089","","","","has coordinates","193255","2020-10-21","18:00:00",""
"4032265","27.6286","0.0014","14.36","0.0006","19.9963","0.0009","90","","109.596","0.008","90","","7474","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(NEt4)[SC6H3{NHCOC(C6H4-t-Bu)3}2]-1.75CH3CN","","- C81.5 H108.25 N4.75 O2 S -","- C81.492 H108.238 N4.746 O2 S -","- C325.968 H432.952 N18.984 O8 S4 -","4","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1665","0.0808","","","0.1729","0.2085","","","","","","1.017","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032266","16.4123","0.0005","21.6199","0.0007","28.373","0.002","111.727","0.008","92.205","0.007","100.836","0.007","9121","1","200","","200","","","","","","","","","6","P -1","-P 1","2","","(NEt4)[L1I2]-L1I-8toluene","","- C204 H250 I3 N5 O4 S2 -","- C204 H250 I3 N5 O4 S2 -","- C408 H500 I6 N10 O8 S4 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1274","0.0746","","","0.1668","0.1949","","","","","","1.024","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032267","14.3441","0.0004","40.3816","0.0009","11.4691","0.0003","90","","90","","90","","6643.3","0.3","200","","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","{(t-BuC6H4)3CCONH}2C6H3SI-DME","","- C74 H93 I N2 O4 S -","- C74 H93 I N2 O4 S -","- C296 H372 I4 N8 O16 S4 -","4","0.5","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0812","0.0541","","","0.1269","0.1397","","","","","","1.026","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032268","14.9171","0.0004","16.692","0.0005","21.1318","0.0007","96.468","0.007","110.11","0.008","94.888","0.007","4866","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","(NEt4)[{(t-BuC6H4)3CCONH}2C6H3SI-I]-5(CHCl3)","","- C83 H108 Cl15 I2 N3 O2 S -","- C83 H108 Cl15 I2 N3 O2 S -","- C166 H216 Cl30 I4 N6 O4 S2 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0906","0.0695","","","0.1901","0.2024","","","","","","1.091","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032269","27.622","0.008","27.622","0.008","19.122","0.002","90","","90","","120","","12635","5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H26 N4 O3 S -","- C27 H26 N4 O3 S -","- C486 H468 N72 O54 S18 -","18","1","","Hoang, Anita; Popov, Kirill; Somfai, Peter","An Efficient Synthesis of (±)-Dehaloperophoramidine.","The Journal of organic chemistry","2017","82","4","2171","2176","10.1021/acs.joc.6b02969","","x-ray","0.7107","MoKα","","0.2216","0.0905","","","0.152","0.1655","","","","3.36","3.36","1.94","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4032270","6.826","0.008","7.652","0.009","20.88","0.03","90","","92.8","0.02","90","","1089","2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Br N6 S -","- C22 H29 Br N6 S -","- C44 H58 Br2 N12 S2 -","2","1","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","x-ray","0.71073","MoKα","","0.2198","0.0994","","","0.197","0.2507","","","","","","0.98","","","","has coordinates","193258","2020-10-21","18:00:00",""
"4032271","11.376","0.0018","7.9619","0.0013","18.978","0.003","90","","100.026","0.004","90","","1692.7","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 F3 N4 O2 S -","- C15 H19 F3 N4 O2 S -","- C60 H76 F12 N16 O8 S4 -","4","2","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","","0.71073","MoKα","","0.1386","0.0713","","","0.1431","0.1756","","","","","","1.013","","","","has coordinates,has disorder","193259","2020-10-21","18:00:00",""
"4032272","11.0651","0.0007","11.7597","0.0007","13.8038","0.0008","65.204","0.002","69.405","0.002","66.42","0.002","1457.44","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F12 N6 Ni P2 -","- C24 H22 F12 N6 Ni P2 -","- C48 H44 F24 N12 Ni2 P4 -","2","1","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0499","0.0441","","","0.1131","0.1175","","","","","","1.025","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032273","15.9755","0.0008","20.1371","0.001","14.1329","0.0007","90","","97.688","0.002","90","","4505.7","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C168 H140 Cl8 F48 N36 Ni8 P8 -","4","0.5","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0361","0.0284","","","0.0598","0.0626","","","","","","1.05","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032274","8.3516","0.0003","8.3516","0.0003","23.0965","0.001","90","","90","","120","","1395.13","0.09","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H16 Br N O3 -","- C6 H16 Br N O3 -","- C36 H96 Br6 N6 O18 -","6","0.333333","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0302","0.0256","","","0.0579","0.0599","","","","","","1.076","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4032275","8.5128","0.0002","9.5968","0.0003","11.2892","0.0003","87.5281","0.0011","78.3064","0.0012","67.9774","0.0012","836.69","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O S -","- C22 H16 O S -","- C44 H32 O2 S2 -","2","1","","Muthupandi, Pandi; Sundaravelu, Nallappan; Sekar, Govindasamy","Domino Synthesis of Thiochromenes through Cu-Catalyzed Incorporation of Sulfur Using Xanthate Surrogate.","The Journal of organic chemistry","2017","82","4","1936","1942","10.1021/acs.joc.6b02740","","","0.71073","MoKα","","0.036","0.0319","","","0.0771","0.0807","","","","","","1.047","","","","has coordinates","193261","2020-10-21","18:00:00",""
"4032276","7.4752","0.0008","23.748","0.003","8.0038","0.001","90","","91.153","0.003","90","","1420.6","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0671","0.0464","","","0.1049","0.1162","","","","","","0.965","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032277","9.4042","0.0018","11.0208","0.0019","12.718","0.002","90","","90","","90","","1318.1","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0974","0.0656","","","0.1677","0.1743","","","","","","1.436","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032278","7.4955","0.0004","9.7437","0.0006","19.7175","0.0011","90","","90","","90","","1440.05","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O5 -","- C15 H21 O5 -","- C60 H84 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0417","0.0357","","","0.1009","0.1129","","","","","","1.117","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032279","11.195","0.002","12.865","0.003","15.664","0.003","102.232","0.004","93.783","0.005","110.067","0.004","2047.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","2","","Chen, Junjie; Han, Xiuling; Lu, Xiyan","Atom-Economic Synthesis of Pentaleno[2,1-b]indoles via Tandem Cyclization of Alkynones Initiated by Aminopalladation.","The Journal of organic chemistry","2017","82","4","1977","1985","10.1021/acs.joc.6b02817","","","0.71073","MoKα","","0.1259","0.0663","","","0.1587","0.1915","","","","","","0.989","","","","has coordinates","193263","2020-10-21","18:00:00",""
"4032280","8.642","","11.567","","11.642","","101.14","","95.54","","95.45","","1128.78","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 O2 S Se -","- C22 H20 O2 S Se -","- C44 H40 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.1584","0.0938","","","0.2778","0.3363","","","","","","1.073","","","","has coordinates","193264","2020-10-21","18:00:00",""
"4032281","7.8935","0.0007","10.8422","0.001","17.1058","0.0014","101.808","0.007","95.419","0.007","101.351","0.008","1391","0.2","213.5","0.1","213.5","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H30 N2 O -","- C37 H30 N2 O -","- C74 H60 N4 O2 -","2","1","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.082","0.0501","","","0.1018","0.1205","","","","","","1.036","","","","has coordinates","193265","2020-10-21","18:00:00",""
"4032282","11.1928","0.0003","5.2635","0.0001","15.5946","0.0004","90","","109.195","0.001","90","","867.65","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C38 H32 N4 O8 S2 -","2","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.036","0.0327","","","0.0861","0.0953","","","","","","0.329","","","","has coordinates","193266","2020-10-21","18:00:00",""
"4032283","10.112","0.005","10.996","0.006","15.378","0.008","90","","90","","90","","1709.9","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.103","0.0561","","","0.099","0.1175","","","","","","1.011","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032284","9.3489","0.0005","15.6494","0.0009","18.4534","0.001","90","","102.884","0.002","90","","2631.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","16061201","","","- C29 H34 O4 S -","- C29 H34 O4 S -","- C116 H136 O16 S4 -","4","2","","Li, Zhen; Chen, Quan; Mayer, Peter; Mayr, Herbert","Nucleophilicity Parameters of Arylsulfonyl-Substituted Halomethyl Anions.","The Journal of organic chemistry","2017","82","4","2011","2017","10.1021/acs.joc.6b02844","","","0.71073","MoKα","","0.046","0.0419","","","0.1028","0.105","","","","","","1.083","","","","has coordinates","193268","2020-10-21","18:00:00",""
"4032285","9.9103","0.0003","11.3423","0.0003","19.3768","0.0005","90","","95.331","0.001","90","","2168.64","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl I N2 O2 -","- C24 H20 Cl I N2 O2 -","- C96 H80 Cl4 I4 N8 O8 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0428","0.0312","","","0.0817","0.0907","","","","","","1.032","","","","has coordinates","193269","2020-10-21","18:00:00",""
"4032286","9.7532","0.0003","15.3749","0.0003","12.3002","0.0003","90","","96.085","0.001","90","","1834.08","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0799","0.0425","","","0.0899","0.1038","","","","","","1.016","","","","has coordinates","193270","2020-10-21","18:00:00",""
"4032287","7.1333","0.0003","20.0738","0.001","11.9472","0.0006","90","","97.605","0.002","90","","1695.7","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C68 H76 Br4 O20 -","4","1","","Griswold, Jessica A.; Horwitz, Matthew A.; Leiva, Leslie V.; Johnson, Jeffrey S.","Diastereoselective Organocatalytic Addition of α-Angelica Lactone to β-Halo-α-ketoesters.","The Journal of organic chemistry","2017","82","4","2276","2280","10.1021/acs.joc.6b03059","","","1.54178","CuKα","","0.0392","0.0361","","","0.0886","0.0912","","","","","","1.075","","","","has coordinates","193271","2020-10-21","18:00:00",""
"4032288","6.6795","0.0003","9.4844","0.0004","9.9184","0.0004","67.948","0.002","88.957","0.002","70.779","0.002","545.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 I N2 S -","- C9 H11 I N2 S -","- C18 H22 I2 N4 S2 -","2","1","","Hasty, Scott J.; Bandara, Mithila D.; Rath, Nigam P.; Demchenko, Alexei V.","S-Benzimidazolyl (SBiz) Imidates as a Platform for Oligosaccharide Synthesis via Active-Latent, Armed-Disarmed, Selective, and Orthogonal Activations.","The Journal of organic chemistry","2017","82","4","1904","1911","10.1021/acs.joc.6b02478","","","0.71073","MoKα","","0.0323","0.0237","","","0.0522","0.0541","","","","","","1.019","","","","has coordinates,has disorder","193272","2020-10-21","18:00:00",""
"4032289","9.355","0.003","10.436","0.003","12.314","0.004","90","","102.117","0.017","90","","1175.4","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0519","0.0405","","","0.1052","0.1148","","","","","","1.023","","","","has coordinates","193273","2020-10-21","18:00:00",""
"4032290","7.5539","0.0006","9.4012","0.0008","13.3713","0.0011","86.824","0.002","88.522","0.001","85.809","0.002","945.35","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Br2 O2 -","- C22 H14 Br2 O2 -","- C44 H28 Br4 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0673","0.0542","","","0.1521","0.1625","","","","","","1.034","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032291","9.5245","0.0005","9.7842","0.0005","10.2374","0.0005","113.522","0.0014","102.024","0.0015","94.4772","0.0016","841.62","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0797","0.0471","","","0.0927","0.1073","","","","","","1.021","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032292","11.2972","0.0006","12.0856","0.0006","15.726","0.0008","105.336","0.0014","94.3058","0.0015","105.11","0.0014","1975.03","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cl2 I4 O2 -","- C41 H32 Cl2 I4 O2 -","- C82 H64 Cl4 I8 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0614","0.0504","","","0.142","0.1513","","","","","","1.035","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032293","8.4681","0.0006","13.0884","0.0009","14.0333","0.0009","84.5629","0.0019","78.6719","0.0019","77.9988","0.0018","1489.37","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H64 Cl4 O4 -","- C80 H60 O4 -","- C80 H60 O4 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.1457","0.0981","","","0.2133","0.2421","","","","","","1.058","","","","has coordinates,has disorder","193274","2020-10-21","18:00:00",""
"4032294","5.3006","0.0011","9.2682","0.0019","14.148","0.003","100.2","0.03","100.72","0.03","103.43","0.03","646.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","1","0.5","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1104","0.0523","","","0.1437","0.1897","","","","","","0.955","","","","has coordinates","193275","2020-10-21","18:00:00",""
"4032295","5.5636","0.0011","19.244","0.004","10.159","0.002","90","","98.33","0.03","90","","1076.2","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.132","0.085","","","0.2114","0.2392","","","","","","1.039","","","","has coordinates,has disorder","193276","2020-10-21","18:00:00",""
"4032296","6.56","0.0013","9.41","0.0019","11.8","0.002","82.35","0.03","89.37","0.03","74.32","0.03","694.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.0634","0.0468","","","0.1556","0.2034","","","","","","1.236","","","","has coordinates","193277","2020-10-21","18:00:00",""
"4032297","6.1414","0.0012","10.463","0.002","12.483","0.003","110.06","0.03","102.97","0.03","92.87","0.03","727.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O2 -","- C14 H22 N2 O2 -","- C28 H44 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1625","0.0822","","","0.2384","0.3025","","","","","","1.041","","","","has coordinates","193278","2020-10-21","18:00:00",""
"4032298","11.0652","0.0006","20.5129","0.001","18.3751","0.0009","90","","95.359","0.002","90","","4152.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C176 H164 Ag8 Cl4 N16 O20 P8 -","2","0.5","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0314","0.0243","","","0.0522","0.0547","","","","","","1.116","","","","has coordinates,has disorder","193279","2020-10-21","18:00:00",""
"4032299","7.4415","0.0004","19.8456","0.001","12.5838","0.0007","90","","106.703","0.006","90","","1779.98","0.17","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","0.71073","MoKα","","0.0974","0.0669","","","0.1565","0.1796","","","","","","1.064","","","","has coordinates,has disorder","193280","2020-10-21","18:00:00",""
"4032300","9.191","0.005","12.87","0.007","15.671","0.008","90","","97.977","0.006","90","","1835.8","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","","0.71073","MoKα","","0.0622","0.0503","","","0.1553","0.167","","","","","","1.015","","","","has coordinates","193282","2020-10-21","18:00:00",""
"4032301","11.779","0.002","8.8723","0.0018","11.827","0.002","90","","109.89","0.004","90","","1162.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","1","","Sharma, Poonam; Rohilla, Sandeep; Jain, Nidhi","Palladium Catalyzed Carbonylative Coupling for Synthesis of Arylketones and Arylesters Using Chloroform as the Carbon Monoxide Source.","The Journal of organic chemistry","2017","82","2","1105","1113","10.1021/acs.joc.6b02711","","","0.71073","MoKα","","0.1054","0.0552","","","0.1759","0.229","","","","","","0.752","","","","has coordinates","193283","2020-10-21","18:00:00",""
"4032302","11.7029","0.0006","8.0441","0.0004","20.2235","0.001","90","","93.371","0.003","90","","1900.53","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C104 H68 N4 O8 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1205","0.0447","","","0.0928","0.1166","","","","","","0.968","","","","has coordinates","193284","2020-10-21","18:00:00",""
"4032303","8.5039","0.0001","10.892","0.0002","12.5327","0.0002","74.116","0.001","87.385","0.001","86.061","0.001","1113.44","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl0 N O5 -","- C25 H22 Cl N O5 -","- C50 H44 Cl2 N2 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1175","0.0941","","","0.2681","0.2912","","","","","","1.075","","","","has coordinates","193285","2020-10-21","18:00:00",""
"4032304","19.5111","0.0009","10.0621","0.0005","20.2837","0.001","90","","90","","90","","3982.1","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Benzyl-3-(difluoronitromethyl)-2-oxoindolin-3-yl benzoate","","- C23 H16 F2 N2 O5 -","- C23 H16 F2 N2 O5 -","- C184 H128 F16 N16 O40 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0841","0.0872","","","","","","1.016","","","","has coordinates","193286","2020-10-21","18:00:00",""
"4032305","17.187","0.002","15.4893","0.0019","15.3026","0.0018","90","","109.844","0.002","90","","3831.9","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-N-Benzyl-3-(fluoro(hydroxyimino)methyl)-2-oxoindolin-3-yl benzoate","","- C23 H17 F N2 O4 -","- C23 H17 F N2 O4 -","- C184 H136 F8 N16 O32 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0565","0.0457","","","0.1136","0.1185","","","","","","1.028","","","","has coordinates","193287","2020-10-21","18:00:00",""
"4032306","14.3865","0.0003","11.7129","0.0002","24.5179","0.0005","90","","97.8354","0.0007","90","","4092.88","0.14","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 O -","- C61 H44 O -","- C244 H176 O4 -","4","1","","Murayama, Koichi; Shibata, Yu; Sugiyama, Haruki; Uekusa, Hidehiro; Tanaka, Ken","Synthesis, Structure, and Photophysical/Chiroptical Properties of Benzopicene-Based π-Conjugated Molecules.","The Journal of organic chemistry","2017","82","2","1136","1144","10.1021/acs.joc.6b02757","","","1.54186","CuKα","","0.0516","0.0427","","","0.112","0.1221","","","","","","1.105","","","","has coordinates","193288","2020-10-21","18:00:00",""
"4032307","23.4927","0.0017","23.4927","0.0017","9.703","0.0009","90","","90","","90","","5355.2","0.7","113","2","113","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33 H31 F N2 O2 S -","- C33 H31 F N2 O2 S -","- C264 H248 F8 N16 O16 S8 -","8","1","","Liu, Qiangqiang; Wang, Chan; Li, Qiang; Hou, Yajie; Wu, Ye; Liu, Lingyan; Chang, Weixing; Li, Jing","Povarov Reaction of Cycloiminium Formed in Situ via Hydroamination Cycloisomerization of Homopropargylic Amines with Electron-Rich Olefins.","The Journal of organic chemistry","2017","82","2","950","958","10.1021/acs.joc.6b02496","","","0.71073","MoKα","","0.0284","0.0262","","","0.0707","0.072","","","","","","1.037","","","","has coordinates","193289","2020-10-21","18:00:00",""
"4032308","5.6268","0.0011","17.614","0.003","9.1708","0.0017","90","","105.33","0.002","90","","876.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","cs35pt","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Sousa, Cristina E. A.; Ribeiro, António M P; Gil Fortes, António; Cerqueira, Nuno M. F. S. A.; Alves, Maria J.","Total Facial Discrimination of 1,3-Dipolar Cycloadditions in a d-Erythrose 1,3-Dioxane Template: Computational Studies of a Concerted Mechanism.","The Journal of organic chemistry","2017","82","2","982","991","10.1021/acs.joc.6b02518","","x-ray","0.71073","MoKα","","0.039","0.0324","","","0.0749","0.0785","","","","","","1.064","","","","has coordinates","193290","2020-10-21","18:00:00",""
"4032309","10.6615","0.0008","11.4317","0.0009","17.7583","0.0014","90","","101.559","0.001","90","","2120.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 I -","- C28 H19 I -","- C112 H76 I4 -","4","1","","García-García, Patricia; Sanjuán, Ana M; Rashid, Muhammad A.; Martínez-Cuezva, Alberto; Fernández-Rodríguez, Manuel A; Rodríguez, Félix; Sanz, Roberto","Synthesis of Functionalized 1H-Indenes and Benzofulvenes through Iodocyclization of o-(Alkynyl)styrenes.","The Journal of organic chemistry","2017","82","2","1155","1165","10.1021/acs.joc.6b02788","","","0.71073","MoKα","","0.0314","0.0286","","","0.0795","0.0812","","","","","","1.067","","","","has coordinates","193291","2020-10-21","18:00:00",""
"4032310","6.5366","0.0004","9.8897","0.0006","13.2763","0.001","90","","96.641","0.002","90","","852.49","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N5 O4 -","- C17 H14 F N5 O4 -","- C34 H28 F2 N10 O8 -","2","1","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1331","0.0662","","","0.1143","0.1362","","","","","","1.008","","","","has coordinates","193292","2020-10-21","18:00:00",""
"4032311","13.5743","0.0005","7.6627","0.0004","18.0825","0.0011","90","","107.822","0.0017","90","","1790.61","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N5 O4 -","- C17 H14 Br N5 O4 -","- C68 H56 Br4 N20 O16 -","4","2","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1263","0.0797","","","0.1501","0.1697","","","","","","1.096","","","","has coordinates","193293","2020-10-21","18:00:00",""
"4032312","8.83606","0.00017","16.4052","0.0004","18.6621","0.0004","90","","98.1201","0.0007","90","","2678.09","0.1","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H70 Cl2 N4 Ni2 -","- C63 H70 Cl2 N4 Ni2 -","- C126 H140 Cl4 N8 Ni4 -","2","0.5","","Ando, Shin; Matsunaga, Hirofumi; Ishizuka, Tadao","An N-Heterocyclic Carbene-Nickel Half-Sandwich Complex as a Precatalyst for Suzuki-Miyaura Coupling of Aryl/Heteroaryl Halides with Aryl/Heteroarylboronic Acids.","The Journal of organic chemistry","2017","82","2","1266","1272","10.1021/acs.joc.6b02666","","","0.71075","MoKα","","0.0325","0.0303","","","0.0778","0.0795","","","","","","1.049","","","","has coordinates,has disorder","193294","2020-10-21","18:00:00",""
"4032313","6.0244","0.0004","16.4432","0.001","20.5214","0.0013","90","","90","","90","","2032.9","0.2","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O5 -","- C19 H30 N2 O5 -","- C76 H120 N8 O20 -","4","1","","Kang, Chang Won; Sarnowski, Matthew P.; Elbatrawi, Yassin M.; Del Valle, Juan R.","Access to Enantiopure α-Hydrazino Acids for N-Amino Peptide Synthesis.","The Journal of organic chemistry","2017","82","3","1833","1841","10.1021/acs.joc.6b02718","","","1.54178","CuKα","","0.1085","0.0704","","","0.1644","0.1892","","","","","","1.046","","","","has coordinates","193295","2020-10-21","18:00:00",""
"4032314","10.648","0.003","11.0701","0.0017","11.8977","0.0018","116.548","0.002","101.481","0.003","102.641","0.003","1151.2","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C62 H46 N2 O4 -","2","1","","Han, Ya-Ping; Li, Xue-Song; Zhu, Xin-Yu; Li, Ming; Zhou, Li; Song, Xian-Rong; Liang, Yong-Min","Lewis Acid Catalyzed Dehydrogenative Coupling of Tertiary Propargylic Alcohols with Quinoline N-Oxides.","The Journal of organic chemistry","2017","82","3","1697","1704","10.1021/acs.joc.6b02882","","","0.71073","MoKα","","0.0839","0.0482","","","0.1196","0.1534","","","","","","1.038","","","","has coordinates","193296","2020-10-21","18:00:00",""
"4032315","16.3051","0.0007","6.5192","0.0003","15.4278","0.0006","90","","97.909","0.001","90","","1624.32","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N O9 -","- C14 H18 N O9 -","- C56 H72 N4 O36 -","4","0.5","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.41328","synchrotron","","0.0645","0.0494","","","0.1273","0.1513","","","","","","1.23","","","","has coordinates","193297","2020-10-21","18:00:00",""
"4032316","8.6695","0.0016","10.986","0.002","13.159","0.003","81.424","0.004","76.719","0.004","69.087","0.004","1136.3","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 S -","- C29 H30 N2 S -","- C58 H60 N4 S2 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Nelyubina, Yulia V.; Metelitsa, Anatoly V.; Shirinian, Valerii Z.","Structural and Spectral Properties of Photochromic Diarylethenes: Size Effect of the Ethene Bridge.","The Journal of organic chemistry","2017","82","3","1477","1486","10.1021/acs.joc.6b02665","","","0.71073","MoKα","","0.0757","0.0597","","","0.136","0.1433","","","","","","1.074","","","","has coordinates,has disorder","193298","2020-10-21","18:00:00",""
"4032317","5.3972","0.0004","9.9775","0.0007","14.1887","0.001","97.739","0.007","93.504","0.007","99.049","0.007","745.04","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br Cl F4 -","- C32 H20 Br2 Cl2 F8 -","- C32 H20 Br2 Cl2 F8 -","1","0.5","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71075","MoKα","","0.034","0.0292","","","0.0673","0.0697","","","","","","1.06","","","","has coordinates","193299","2020-10-21","18:00:00",""
"4032318","5.744","0.0002","9.868","0.0002","26.1249","0.0006","89.552","0.002","84.71","0.002","76.664","0.002","1434.6","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Br F4 -","- C16 H11 Br F4 -","- C64 H44 Br4 F16 -","4","2","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71073","MoKα","","0.0421","0.0302","","","0.0652","0.0711","","","","","","1.011","","","","has coordinates","193300","2020-10-21","18:00:00",""
"4032319","8.7897","0.0001","12.307","0.0002","26.0231","0.0003","90","","93.932","0.001","90","","2808.42","0.06","288","2","288","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","2","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0432","0.0402","","","0.1223","0.1269","","","","","","1.031","","","","has coordinates","193301","2020-10-21","18:00:00",""
"4032320","9.111","0.0001","9.8829","0.0001","14.9752","0.0002","90","","100.127","0.001","90","","1327.41","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0358","0.0355","","","0.1036","0.104","","","","","","1.06","","","","has coordinates","193302","2020-10-21","18:00:00",""
"4032321","5.9648","0.0003","34.2029","0.0015","10.1737","0.0006","90","","91.052","0.005","90","","2075.22","0.18","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.069","0.06","","","0.1579","0.1676","","","","","","1.087","","","","has coordinates","193303","2020-10-21","18:00:00",""
"4032322","30.257","0.002","6.1188","0.0004","18.0108","0.0013","90","","90","","90","","3334.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C168 H120 N48 -","12","3","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.269","0.2165","","","0.4274","0.4573","","","","","","1.067","","","","has coordinates","193304","2020-10-21","18:00:00",""
"4032323","5.8539","0.0006","27.248","0.002","15.506","0.003","90","","100.049","0.013","90","","2435.4","0.6","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C112 H96 N32 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.1194","0.0709","","","0.1698","0.1983","","","","","","1.022","","","","has coordinates,has disorder","193305","2020-10-21","18:00:00",""
"4032324","13.9167","0.0003","14.5107","0.0003","6.79621","0.00018","90","","90","","90","","1372.43","0.05","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0431","0.0402","","","0.1131","0.1161","","","","","","1.039","","","","has coordinates","193306","2020-10-21","18:00:00",""
"4032325","11.9213","0.0006","4.6621","0.0002","15.1386","0.0007","90","","104.387","0.005","90","","814.99","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0572","0.0492","","","0.1256","0.131","","","","","","1.077","","","","has coordinates","193307","2020-10-21","18:00:00",""
"4032326","6.3297","0.0013","19.665","0.004","22.568","0.005","90","","90","","90","","2809.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","","Chang, Lina; Guo, Tao; Wang, Ziyi; Wang, Shaozhong; Yao, Zhu-Jun","Azepinoindole Synthesis via a N-Bromosuccinimide-Induced Cycloisomerization of Enaminoester/Enaminone.","The Journal of organic chemistry","2017","82","3","1567","1574","10.1021/acs.joc.6b02760","","","0.71073","MoKα","","0.1858","0.0759","","","0.1076","0.1344","","","","","","1","","","","has coordinates","193308","2020-10-21","18:00:00",""
"4032327","9.246","0.003","16.491","0.008","10.257","0.003","90","","110.25","0.03","90","","1467.3","1","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1464","0.0755","","","0.1492","0.1816","","","","","","1.02","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032328","11.512","0.004","9.57","0.003","9.098","0.003","90","","112.68","0.03","90","","924.8","0.6","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1162","0.0688","","","0.1635","0.1901","","","","","","1.021","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032329","5.748","0.002","9.359","0.003","14.383","0.005","83.71","0.03","79.77","0.03","74.56","0.03","732.4","0.4","80","","80","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1082","0.0557","","","0.0909","0.109","","","","","","1.02","","","","has coordinates,has disorder","193309","2020-10-21","18:00:00",""
"4032330","8.074","0.002","8.623","0.002","22.992","0.006","90","","99.38","0.03","90","","1579.3","0.7","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.0736","0.0483","","","0.0978","0.1136","","","","","","1.015","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032331","6.0498","0.0017","8.2177","0.0019","16.171","0.005","88.79","0.05","82.33","0.05","81.94","0.05","788.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1665","0.0816","","","0.0858","0.1107","","","","","","1.006","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032332","6.096","0.002","7.633","0.002","27.289","0.008","90","","91.67","0.03","90","","1269.2","0.7","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C60 H56 N8 S4 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1017","0.0764","","","0.1261","0.1378","","","","","","1.154","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032333","9.0314","0.0006","9.1791","0.0007","10.927","0.0006","71.905","0.006","71.569","0.006","61.983","0.007","744.33","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Zhang, Huaiyuan; Huang, Danfeng; Wang, Ke-Hu; Li, Jun; Su, Yingpeng; Hu, Yulai","Synthesis of Benzimidazolones via One-Pot Reaction of Hydroxylamines, Aldehydes, and Trimethylsilyl Cyanide Promoted by Diacetoxyiodobenzene.","The Journal of organic chemistry","2017","82","3","1600","1609","10.1021/acs.joc.6b02781","","x-ray","0.71073","MoKα","","0.0877","0.0562","","","0.1325","0.1546","","","","","","1.104","","","","has coordinates","193310","2020-10-21","18:00:00",""
"4032334","6.2961","0.0001","8.1075","0.0001","10.7109","0.0002","82.602","0.001","83.304","0.001","81.408","0.001","533.459","0.015","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C23 H34 O4 -","1","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0513","0.0458","","","0.1304","0.1435","","","","","","1.133","","","","has coordinates","193311","2020-10-21","18:00:00",""
"4032335","8.3667","0.0002","5.5161","0.0002","15.6625","0.0004","90","","102.589","0.001","90","","705.47","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0366","0.0357","","","0.1033","0.1048","","","","","","1.115","","","","has coordinates","193312","2020-10-21","18:00:00",""
"4032336","7.4341","0.0001","14.7479","0.0002","13.3819","0.0001","90","","91.31","","90","","1466.77","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","2","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0338","0.0331","","","0.0847","0.0901","","","","","","1.095","","","","has coordinates","193313","2020-10-21","18:00:00",""
"4032337","5.84776","0.00016","9.0048","0.0002","24.9796","0.0005","90","","92.069","0.002","90","","1314.52","0.05","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0585","0.0547","","","0.1513","0.1568","","","","","","1.05","","","","has coordinates","193314","2020-10-21","18:00:00",""
"4032338","10.1471","0.0003","13.2702","0.0003","14.9401","0.0004","90","","106.293","0.003","90","","1930.95","0.09","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0651","0.0578","","","0.1641","0.1741","","","","","","1.037","","","","has coordinates","193315","2020-10-21","18:00:00",""
"4032339","5.82677","0.00011","9.95071","0.00018","13.6194","0.0003","90","","101.711","0.0018","90","","773.22","0.03","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N0.5 O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Yong; Wang, Qiuyan; Wang, Ting; He, Huan; Yang, Wenqiang; Zhang, Xinhao; Cai, Qian","Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C-O Coupling Reactions via Asymmetric Desymmetrization.","The Journal of organic chemistry","2017","82","3","1458","1463","10.1021/acs.joc.6b02646","","x-ray","1.54184","CuKα","","0.0308","0.0302","","","0.0782","0.0796","","","","","","1.101","","","","has coordinates","193316","2020-10-21","18:00:00",""
"4032340","7.598","0.005","12.832","0.009","13.345","0.009","74.526","0.007","76.45","0.007","82.005","0.007","1215","1.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","2","","Kim, Ji Eun; Lee, Jinsub; Yun, Hyunsik; Baek, Yonghyeon; Lee, Phil Ho","Rhodium-Catalyzed Intramolecular Transannulation Reaction of Alkynyl Thiadiazole Enabled 5,n-Fused Thiophenes.","The Journal of organic chemistry","2017","82","3","1437","1447","10.1021/acs.joc.6b02614","","","0.71073","","","0.0757","0.0429","","","0.0906","0.1018","","","","","","1.033","","","","has coordinates","193317","2020-10-21","18:00:00",""
"4032341","9.7527","0.0006","8.3311","0.0006","24.3083","0.0018","90","","100.212","0.006","90","","1943.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl N3 O2 S -","- C22 H18 Cl N3 O2 S -","- C88 H72 Cl4 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.0679","0.0496","","","0.1295","0.138","","","","","","1.081","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032342","13.4172","0.0013","6.0529","0.0004","28.871","0.002","90","","117.325","0.006","90","","2083.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O2 S -","- C22 H27 N3 O2 S -","- C88 H108 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.1077","0.0445","","","0.0852","0.0953","","","","","","0.8","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032343","5.76624","0.00017","11.7165","0.0003","19.6213","0.0006","90","","90","","90","","1325.62","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","","Liu, Yueyang; Zhang, Zhiguo; Wan, Yameng; Zhang, Guisheng; Li, Zhonglian; Bi, Jingjing; Ma, Nana; Liu, Tong-Xin; Liu, Qingfeng","Oxidation of β-Ketoamides: The Synthesis of Vicinal Tricarbonyl Amides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03062","","","1.54184","CuKα","","0.0492","0.0417","","","0.0908","0.0978","","","","","","1.059","","","","has coordinates","194056","2020-10-21","18:00:00",""
"4032344","11.21961","0.00004","11.09937","0.00005","18.19019","0.00007","90","","104.933","0.0004","90","","2188.73","0.016","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Zhao, Yichao; Jin, Jianwen; Boyle, Joshua William; Lee, Bo Ra; Day, David Philip; Susanti, Dewi; Clarkson, Guy James; Chan, Philip Wai Hong","Silver-Catalyzed 1,3-Acyloxy Migration/Diels-Alder Reaction of 1,9-Dien-4-yne Esters to Partially Hydrogenated Isoquinolines.","The Journal of organic chemistry","2017","82","6","2826","2834","10.1021/acs.joc.7b00048","","x-ray","1.54184","CuKα","","0.0405","0.0403","","","0.1104","0.1106","","","","","","1.04","","","","has coordinates","194852","2020-10-21","18:00:00",""
"4032345","21.016","0.004","5.9939","0.0011","30.001","0.006","90","","99.403","0.004","90","","3728.4","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C200 H176 O24 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0764","0.0464","","","0.1","0.1131","","","","","","1.023","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032346","25.5837","0.0007","17.5631","0.0005","18.0778","0.0005","90","","95.177","0.001","90","","8089.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C448 H416 O32 -","16","4","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.08","0.0507","","","0.1437","0.1703","","","","","","1.028","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032347","7.7664","0.0008","8.1366","0.0009","34.746","0.004","90","","90","","90","","2195.7","0.4","99","2","99","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0827","0.0493","","","0.0906","0.1015","","","","","","1.029","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032348","16.4015","0.0013","10.9309","0.001","25.431","0.002","90","","101.801","0.003","90","","4463","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 O2 -","- C31 H26 O2 -","- C248 H208 O16 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0445","0.0389","","","0.1009","0.1048","","","","","","1.046","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032349","17.9825","0.0012","7.8621","0.0005","31.386","0.002","90","","99.609","0.002","90","","4375.1","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C232 H192 O24 -","8","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0581","0.0457","","","0.0964","0.1038","","","","","","0.999","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032350","20.392","0.002","10.2856","0.001","9.7344","0.0015","90","","90","","90","","2041.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Nath, Utpal; Pan, Subhas Chandra","Organocatalytic Asymmetric Tamura Cycloaddition with α- Branched Nitroolefins: Synthesis of Functionalized 1-Tetralones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03020","","","0.71073","MoKα","","0.1372","0.0921","","","0.1632","0.1863","","","","","","1.093","","","","has coordinates","194063","2020-10-21","18:00:00",""
"4032351","9.7078","0.0005","9.0603","0.0004","24.536","0.003","90","","92.431","0.007","90","","2156.1","0.3","110.5","0.3","110.5","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Fe2 O4 P -","- C26 H23 Fe2 O4 P -","- C104 H92 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0436","0.0346","","","0.073","0.0765","","","","","","1.046","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032352","15.6912","0.0009","10.1639","0.0004","17.1179","0.0009","90","","117.157","0.007","90","","2429.1","0.3","110.6","0.2","110.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Fe2 O4 P -","- C30 H25 Fe2 O4 P -","- C120 H100 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0762","0.0675","","","0.1637","0.1719","","","","","","1.034","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032353","8.0069","0.0005","11.3428","0.0011","15.2484","0.0014","88.134","0.008","76.822","0.007","78.953","0.006","1323.3","0.2","112.4","0.5","112.4","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Fe3 O4 P -","- C31 H29 Fe3 O4 P -","- C62 H58 Fe6 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0653","0.0409","","","0.0772","0.0812","","","","","","0.845","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032354","13.5139","0.0006","16.1835","0.001","7.1844","0.0004","90","","90","","90","","1571.24","0.15","120","0.1","120","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 O4 P -","- C18 H15 O4 P -","- C72 H60 O16 P4 -","4","0.5","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0646","0.0465","","","0.1099","0.1206","","","","","","1.054","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032355","13.4841","0.0007","7.2373","0.0004","23.0311","0.0014","90","","106.7","0.006","90","","2152.8","0.2","110.6","0.2","110.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Fe2 O4 P -","- C26 H23 Fe2 O4 P -","- C104 H92 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0827","0.0516","","","0.1036","0.1137","","","","","","1.015","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032356","9.1403","0.0004","7.669","0.0005","28.9649","0.0016","90","","91.773","0.004","90","","2029.38","0.19","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Fe O4 P -","- C24 H23 Fe O4 P -","- C96 H92 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0484","0.0373","","","0.0825","0.0887","","","","","","1.022","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032357","7.3299","0.0004","12.7651","0.0008","15.0173","0.0008","111.569","0.005","97.97","0.004","94.641","0.004","1280.77","0.14","114","3","114","3","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Fe2 O4 P -","- C31 H27 Fe2 O4 P -","- C62 H54 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1718","0.1138","","","0.327","0.35","","","","","","1.139","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032358","11.1871","0.0006","11.4582","0.0008","12.6451","0.0009","67.616","0.007","83.493","0.005","62.541","0.006","1326.08","0.18","115","8","115","8","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Fe2 O4 P -","- C32 H29 Fe2 O4 P -","- C64 H58 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0648","0.0461","","","0.1101","0.1169","","","","","","1.032","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032359","37.5107","0.0016","29.4085","0.0015","6.2109","0.0004","90","","90","","90","","6851.5","0.6","120","0.1","120","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 Fe2 O4 P -","- C20 H17 Fe2 O4 P -","- C320 H272 Fe32 O64 P16 -","16","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.04","0.0316","","","0.0616","0.064","","","","","","1.039","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032360","10.4155","0.0003","11.6395","0.0004","23.3299","0.0012","90","","90","","90","","2828.31","0.19","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Cl3 Fe O4 P -","- C32 H24 Cl3 Fe O4 P -","- C128 H96 Cl12 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0528","0.0433","","","0.092","0.0965","","","","","","1.024","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032361","11.8102","0.0002","10.9946","0.0002","16.4247","0.0003","90","","108.344","0.002","90","","2024.35","0.07","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Fe O4 P -","- C22 H29 Fe O4 P -","- C88 H116 Fe4 O16 P4 -","4","2","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0344","0.0322","","","0.0847","0.0863","","","","","","1.032","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032362","6.2344","0.0004","7.6337","0.0006","13.7942","0.0009","95.156","0.006","91.298","0.005","97.059","0.006","648.5","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Fe3 O8 P2 -","- C30 H24 Fe3 O8 P2 -","- C30 H24 Fe3 O8 P2 -","1","0.5","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.038","0.0339","","","0.0873","0.0896","","","","","","1.07","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032363","11.8453","0.001","11.2052","0.001","21.084","0.0015","90","","90","","90","","2798.5","0.4","107.35","0.1","107.35","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H19 B Fe N O2 P -","- C13 H19 B Fe N O2 P -","- C104 H152 B8 Fe8 N8 O16 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0699","0.0559","","","0.1429","0.1488","","","","","","1.085","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032364","51.506","0.002","7.4283","0.0003","11.2434","0.0005","90","","90.38","0.004","90","","4301.7","0.3","110","0.1","110","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Fe2 N O3 P -","- C24 H28 Fe2 N O3 P -","- C192 H224 Fe16 N8 O24 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0456","0.042","","","0.1043","0.1063","","","","","","1.096","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032365","14.7934","0.0009","10.0854","0.0005","16.8952","0.0011","90","","112.527","0.007","90","","2328.4","0.3","115","0.1","115","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe2 N O3 P -","- C28 H24 Fe2 N O3 P -","- C112 H96 Fe8 N4 O12 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0773","0.0483","","","0.0967","0.1058","","","","","","1.026","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032366","10.113","0.005","10.722","0.005","13.199","0.005","106.582","0.005","110.145","0.005","90.019","0.005","1280","1","114","3","114","3","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Fe2 N O3 P -","- C32 H26 Fe2 N O3 P -","- C64 H52 Fe4 N2 O6 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1001","0.0806","","","0.2336","0.2431","","","","","","1.029","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032367","10.3336","0.0007","12.6046","0.001","13.4915","0.0018","117.494","0.01","95.558","0.008","96.286","0.006","1527.6","0.3","112.8","0.6","112.8","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C33.9 H29.8 Cl1.8 Fe2 N O3 P -","- C33.9 H29.8 Cl1.8 Fe2 N O3 P -","- C67.8 H59.6 Cl3.6 Fe4 N2 O6 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0954","0.0777","","","0.2109","0.2253","","","","","","1.053","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032368","51.278","0.008","7.6986","0.0008","10.4339","0.0012","90","","93.689","0.011","90","","4110.4","0.9","115.2","1","115.2","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe2 N O3 P -","- C24 H22 Fe2 N O3 P -","- C192 H176 Fe16 N8 O24 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1382","0.0875","","","0.1851","0.2062","","","","","","1.059","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032369","14.5249","0.0006","10.2459","0.0005","19.6024","0.0008","90","","107.309","0.004","90","","2785.1","0.2","115","0.1","115","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl3 Fe2 N O3 P -","- C29 H25 Cl3 Fe2 N O3 P -","- C116 H100 Cl12 Fe8 N4 O12 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0612","0.0418","","","0.0861","0.0924","","","","","","1.034","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032370","5.9174","0.0014","20.176","0.005","10.449","0.002","90","","104.909","0.003","90","","1205.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O3 P -","- C23 H35 N4 O3 P -","- C46 H70 N8 O6 P2 -","2","1","","Qiao, Shuo; Wilcox, Cody B.; Unruh, Daniel K.; Jiang, Bo; Li, Guigen","Asymmetric [3 + 2] Cycloaddition of Chiral N-Phosphonyl Imines with Methyl Isocyanoacetate for Accessing to 2-Imidazolines with Switchable Stereoselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03068","","","0.71073","MoKα","","0.0589","0.0424","","","0.0897","0.0965","","","","","","1.003","","","","has coordinates","194103","2020-10-21","18:00:00",""
"4032371","7.925","0.0001","16.3937","0.0002","20.889","0.0004","90","","90","","90","","2713.9","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C120 H184 O28 -","4","1","","Mestre, Jordi; Matheu, M. Isabel; Díaz, Yolanda; Castillón, Sergio; Boutureira, Omar","Chemical Access to d-Sarmentose Units Enables the Total Synthesis of Cardenolide Monoglycoside N-1 from Nerium oleander.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00210","","","0.7107","MoKα","","0.0384","0.0341","","","0.0869","0.0888","","","","","","1.043","","","","has coordinates","194104","2020-10-21","18:00:00",""
"4032372","5.1053","0.0003","18.1238","0.0012","12.8535","0.0007","90","","93.383","0.006","90","","1187.23","0.12","292.96","0.15","292.96","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-11H-indolo[3,2-c]quinoline","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0527","0.046","","","0.1238","0.1334","","","","","","1.089","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032373","20.00573","0.00015","20.00573","0.00015","13.20742","0.00018","90","","90","","90","","5286","0.09","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","2,3-dimethoxy-11H-indolo[3,2-c]quinoline","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.087","0.0878","","","","","","1.062","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032374","8.4252","0.0003","9.1913","0.0004","17.9879","0.0006","90","","90","","90","","1392.96","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0566","0.041","","","0.0881","0.0946","","","","","","1.043","","","","has coordinates","194132","2020-10-21","18:00:00",""
"4032375","8.1197","0.0002","9.1768","0.0003","18.1454","0.0005","90","","90","","90","","1352.07","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0457","0.0363","","","0.0813","0.0851","","","","","","1.097","","","","has coordinates","194133","2020-10-21","18:00:00",""
"4032376","11.1054","0.0005","12.9232","0.0007","14.2178","0.0009","107.242","0.002","100.964","0.001","98.286","0.002","1868.98","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","2","","Xu, Jianfeng; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Miao, Maozhong; Ren, Hongjun","Catalyst-Controlled Chemodivergent Modification of Indoles with 2-Furylcarbinols: Piancatelli Reaction vs Cross-Dehydrative Coupling Reaction.","The Journal of organic chemistry","2017","82","7","3561","3570","10.1021/acs.joc.7b00090","","","0.71073","MoKα","","0.0926","0.0483","","","0.1232","0.1638","","","","","","1.002","","","","has coordinates","196156","2020-10-21","18:00:00",""
"4032377","8.6464","0.0005","5.6834","0.0003","12.7817","0.0007","90","","99.604","0.001","90","","619.3","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C30 H20 F6 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0333","0.0333","","","0.0918","0.0919","","","","","","1.073","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032378","4.2186","0.0009","9.333","0.002","13.852","0.003","90","","93.134","0.004","90","","544.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C28 H20 F2 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0497","0.0346","","","0.0712","0.0769","","","","","","1.059","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032379","8.0964","0.0011","23.977","0.003","7.0192","0.0008","90","","114.33","0.007","90","","1241.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.1464","0.0819","","","0.212","0.2546","","","","","","1.033","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032380","6.0667","0.0005","15.3771","0.0013","13.1958","0.0011","90","","93.36","0.003","90","","1228.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9.43 Cl1.58 N O2 -","- C14 H9.425 Cl1.575 N O2 -","- C56 H37.7 Cl6.3 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0975","0.0622","","","0.1241","0.1343","","","","","","1.189","","","","has coordinates,has disorder","196146","2020-10-21","18:00:00",""
"4032381","14.0387","0.001","5.751","0.0004","16.2336","0.0011","90","","98.473","0.005","90","","1296.34","0.16","90","0.5","90","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C54 H30 B2 Br4 Cl4 F4 N4 O6 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","1.54184","CuKα","","0.1175","0.1002","","","0.2457","0.2689","","","","","","1.1","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032382","10.0033","0.0009","10.2945","0.0009","10.8914","0.001","115.154","0.002","111.867","0.002","93.784","0.002","907.97","0.14","90","0.5","90","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C15 H5 B Br2 Cl4 F2 N2 O -","- C15 H5 B Br2 Cl4 F2 N2 O -","- C30 H10 B2 Br4 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","0.71073","MoKα","","0.0368","0.0277","","","0.0704","0.0746","","","","","","1.033","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032383","11.1478","0.0012","15.0675","0.0013","10.0871","0.0011","90","","109.154","0.003","90","","1600.5","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Rehan, Mohammad; Nallagonda, Rajender; Das, Braja Gopal; Meena, Tannu; Ghorai, Prasanta","Synthesis of Functionalized Benzo[b]furans via Oxidative Cyclization of o-Cinnamyl Phenols.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02752","","","0.71073","MoKα","","0.1056","0.0565","","","0.1421","0.168","","","","","","1.029","","","","has coordinates","194236","2020-10-21","18:00:00",""
"4032384","19.5031","0.0003","16.6971","0.0002","20.1118","0.0003","90","","109.923","0.0018","90","","6157.33","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O6 -","- C36 H32 N2 O6 -","- C288 H256 N16 O48 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1125","0.0855","","","0.2583","0.2693","","","","","","1.147","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032385","15.9993","0.0007","10.8867","0.0005","16.1051","0.0009","90","","114.97","0.006","90","","2543","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O6 -","- C26 H27 Br N2 O6 -","- C104 H108 Br4 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0874","0.0598","","","0.1557","0.1828","","","","","","1.033","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032386","16.7281","0.0004","10.2986","0.00017","16.3055","0.0004","90","","116.342","0.003","90","","2517.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N3 O6 -","- C27 H27 N3 O6 -","- C108 H108 N12 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0723","0.0552","","","0.1552","0.1729","","","","","","1.069","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032387","12.5019","0.0014","21.1909","0.0018","10.0757","0.0015","90","","95.255","0.013","90","","2658.1","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1563","0.1024","","","0.3016","0.3586","","","","","","1.043","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032388","11.2044","0.0007","11.5815","0.0006","12.9947","0.0008","75.244","0.005","88.54","0.005","67.453","0.005","1501.06","0.17","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C68 H64 N8 O8 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1073","0.0883","","","0.2712","0.2972","","","","","","1.099","","","","has coordinates,has disorder","196152","2020-10-21","18:00:00",""
"4032389","19.1282","0.0004","12.24","0.0002","25.3264","0.0005","90","","97.9603","0.0018","90","","5872.5","0.2","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C272 H256 N32 O32 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0556","0.048","","","0.1302","0.1401","","","","","","1.046","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032390","10.7283","0.0003","11.4578","0.0004","14.3942","0.0003","97.385","0.002","97.614","0.002","113.028","0.003","1582.16","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N3 O6 -","- C35 H35 N3 O6 -","- C70 H70 N6 O12 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0637","0.0546","","","0.1443","0.1532","","","","","","1.044","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032391","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@C80-NHC-2a","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4032392","11.028","0.005","17.708","0.005","19.684","0.005","99.143","0.005","106.102","0.005","106.977","0.005","3410","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Lu3N@IhC80 NHC","Lu3N@IhC80 NHC","","- C219 H72 Lu6 N6 O0 S10 -","- C219 H72 Lu5.999 N6 S10 -","- C219 H72 Lu5.999 N6 S10 -","1","0.5","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71069","MoKα","","0.0681","0.0529","","","0.1301","0.1395","","","","","","1.091","","","","has coordinates,has disorder","196155","2020-10-21","18:00:00",""
"4032393","21.533","0.004","30.738","0.006","11.627","0.002","90","","90","","90","","7696","2","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C336 H384 O112 -","16","1","","Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing","Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02921","","","0.71073","MoKα","","0.0487","0.0361","","","0.0798","0.086","","","","","","1.02","","","","has coordinates","194272","2020-10-21","18:00:00",""
"4032394","10.1003","0.0002","22.3395","0.0004","13.9474","0.001","90","","90.142","0.006","90","","3147","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing","Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02921","","","1.54178","CuKα","","0.0851","0.0679","","","0.1871","0.2146","","","","","","1.134","","","","has coordinates","194272","2020-10-21","18:00:00",""
"4032395","8.6678","0.0017","19.551","0.003","9.4202","0.0017","90","","111.01","0.003","90","","1490.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0499","0.0417","","","0.1106","0.1156","","","","","","1.053","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032396","17.481","0.006","7.27","0.002","14.959","0.004","90","","114.17","0.005","90","","1734.4","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0565","0.0416","","","0.1036","0.112","","","","","","1.026","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032397","6.9484","0.0011","9.974","0.0015","11.9674","0.0018","80.017","0.006","86.243","0.008","86.393","0.008","813.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.044","0.0388","","","0.1076","0.1114","","","","","","1.122","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032398","14.243","0.003","8.5982","0.0019","12.723","0.003","90","","105.996","0.003","90","","1497.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl O4 -","- C16 H19 Cl O4 -","- C64 H76 Cl4 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0539","0.0438","","","0.1167","0.1238","","","","","","1.041","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032399","5.212","0.0004","7.438","0.0005","14.3549","0.0009","80.834","0.006","85.227","0.006","74.865","0.006","529.83","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 F2 O3 -","- C12 H12 F2 O3 -","- C24 H24 F4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0625","0.0593","","","0.1636","0.1691","","","","","","1.088","","","","has coordinates,has disorder","196154","2020-10-21","18:00:00",""
"4032400","9.8445","0.0004","6.9522","0.0003","30.4659","0.0012","90","","90","","90","","2085.11","0.15","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0342","0.0331","","","0.0835","0.0844","","","","","","1.065","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032401","7.2069","0.0004","7.742","0.0003","9.5826","0.0004","80.466","0.004","79.403","0.004","77.127","0.004","507.99","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C20 H32 N4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0455","0.0409","","","0.0995","0.1027","","","","","","1.035","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032402","4.5638","0.001","7.0494","0.0016","15.476","0.004","95.825","0.005","95.748","0.005","99.306","0.006","485.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C20 H16 N4 O4 S2 -","2","1","","McCaw, Patrick G.; Buckley, Naomi M.; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","7","3666","3679","10.1021/acs.joc.7b00172","","","0.71073","MoKα","","0.046","0.0386","","","0.1063","0.1131","","","","","","1.043","","","","has coordinates","196149","2020-10-21","18:00:00",""
"4032403","6.1447","0.0009","15.0655","0.0019","17.331","0.002","90","","97.341","0.011","90","","1591.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C84 H56 N8 S4 -","4","1","","Shen, Guodong; Yang, Bingchuan; Huang, Xianqiang; Hou, Yaxin; Gao, Huan; Cui, Jichun; Cui, Chuansheng; Zhang, Tongxin","Copper- and Palladium-Catalyzed Cross-Coupling Reactions for the Synthesis of N-Fused Benzo[4,5]imidazo[2,1-b]thiazole Derivatives via Substituted trans-1,2-Diiodoalkenes, 1H-Benzo[d]imidazole-2-thiols, and Halobenzenes.","The Journal of organic chemistry","2017","82","7","3798","3805","10.1021/acs.joc.7b00162","","","0.71073","MoKα","","0.1545","0.0642","","","0.1535","0.2217","","","","","","0.955","","","","has coordinates","196151","2020-10-21","18:00:00",""
"4032404","14.0787","0.0013","16.1044","0.0014","14.3694","0.0012","90","","94.455","0.001","90","","3248.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Br N2 O7 -","- C35 H35 Br N2 O7 -","- C140 H140 Br4 N8 O28 -","4","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1438","0.0563","","","0.1219","0.1617","","","","","","1.018","","","","has coordinates","196153","2020-10-21","18:00:00",""
"4032405","9.4413","0.0019","11.46","0.002","20.235","0.004","90","","90","","90","","2189.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C96 H116 N12 O8 -","4","1","","Peng, Jianwen; Gao, Yang; Zhu, Chuanle; Liu, Bifu; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng","Synthesis of Polysubstituted 3-Amino Pyrroles via Palladium-Catalyzed Multicomponent Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00098","","","0.71073","MoKα","","0.0965","0.0605","","","0.1382","0.154","","","","","","1.0226","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032406","9.1195","0.0006","27.0857","0.0019","8.3832","0.0006","90","","101.196","0.002","90","","2031.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N3 O5 S2 -","- C22 H17 N3 O5 S2 -","- C88 H68 N12 O20 S8 -","4","1","","Das, Debapratim; Poddar, Puja; Maity, Saurabh; Samanta, Rajarshi","Rhodium(III)-Catalyzed C6-Selective Arylation of 2-Pyridones and Related Heterocycles Using Quinone Diazides: Syntheses of Heteroarylated Phenols.","The Journal of organic chemistry","2017","82","7","3612","3621","10.1021/acs.joc.7b00135","","","0.71073","MoKα","","0.0574","0.0415","","","0.1037","0.1125","","","","","","1.046","","","","has coordinates","196158","2020-10-21","18:00:00",""
"4032407","7.03801","0.00006","16.8278","0.0001","25.192","0.0002","90","","92.2063","0.0006","90","","2981.38","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","4","","Kingston, Cian; Guiry, Patrick J.","Enantiodivergent Synthesis of Tertiary α-Aryl 1-Indanones: Evidence Toward Disparate Mechanisms in the Palladium-Catalyzed Decarboxylative Asymmetric Protonation","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00303","","","1.54184","CuKα","","0.0568","0.0565","","","0.1512","0.1516","","","","","","1.044","","","","has coordinates,has disorder","194551","2020-10-21","18:00:00",""
"4032408","11.8","0.002","12.63","0.003","13.63","0.003","68.074","0.006","70.491","0.006","81.465","0.006","1775.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Br2 N4 O6 -","- C28 H32 Br2 N4 O6 -","- C56 H64 Br4 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0667","0.0487","","","0.1312","0.1378","","","","","","1.08","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032409","11.313","0.003","11.4","0.003","16.467","0.005","99.471","0.011","95.525","0.012","114.446","0.011","1874.8","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N4 O6 -","- C40 H42 N4 O6 -","- C80 H84 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0534","0.0431","","","0.1159","0.1245","","","","","","1.078","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032410","8.5909","0.0006","9.3471","0.0007","16.4167","0.0014","74.516","0.005","85.903","0.005","66.308","0.004","1162.38","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","1","0.5","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.1125","0.0967","","","0.2435","0.2582","","","","","","1.007","","","","has coordinates","196147","2020-10-21","18:00:00",""
"4032411","12.2622","0.001","16.123","0.0014","10.5218","0.0008","90","","97.12","0.008","90","","2064.2","0.3","293","2","293","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","unk","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Mondal, Keshab; Pan, Subhas Chandra","Synthesis of 2,5-Disubstituted Furans from Sc(OTf)3 Catalyzed Reaction of Aryl Oxiranediesters with γ-Hydroxyenones.","The Journal of organic chemistry","2017","82","8","4415","4421","10.1021/acs.joc.7b00133","","x-ray","0.71073","MoKα","","0.1038","0.0587","","","0.1353","0.1671","","","","","","1.056","","","","has coordinates","196145","2020-10-21","18:00:00",""
"4032412","10.3094","0.0016","14.455","0.002","17.511","0.003","90","","104.905","0.004","90","","2521.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 O4 -","- C32 H24 N2 O4 -","- C128 H96 N8 O16 -","4","1","","Cao, Jing; Dong, Shuding; Jiang, Delu; Zhu, Peiyu; Zhang, Han; Li, Rui; Li, Zhanyi; Wang, Xuanyu; Tang, Weifang; Du, Ding","β-Functionalization of Indolin-2-one-Derived Aliphatic Acids for the Divergent Synthesis of Spirooxindole γ-Butyrolactones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00153","","","0.71073","MoKα","","0.107","0.0511","","","0.1296","0.1649","","","","","","0.941","","","","has coordinates","194642","2020-10-21","18:00:00",""
"4032413","8.679","0.006","11.875","0.008","12.649","0.008","106.234","0.01","109.319","0.01","104.799","0.01","1090.6","1.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","1","","Wu, Fu-Song; Zhao, Hai-Yuan; Xu, Yan-Li; Hu, Kun; Pan, Ying-Ming; Ma, Xian-Li","Catalyst-free Synthesis of Pyrrolo[1,2-a]quinolines via Dehydration/[3+2] Cycloaddition Directly from 2-Methylquinolines, Aldehydes and Alkynoates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00280","","","0.71073","MoKα","","0.0602","0.0431","","","0.1289","0.1426","","","","","","1.033","","","","has coordinates","194664","2020-10-21","18:00:00",""
"4032414","8.2176","0.0016","9.2644","0.0018","13.11","0.003","99.384","0.003","91.951","0.003","93.602","0.003","981.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F4 N O2 -","- C23 H17 F4 N O2 -","- C46 H34 F8 N2 O4 -","2","1","","Wu, Fu-Song; Zhao, Hai-Yuan; Xu, Yan-Li; Hu, Kun; Pan, Ying-Ming; Ma, Xian-Li","Catalyst-free Synthesis of Pyrrolo[1,2-a]quinolines via Dehydration/[3+2] Cycloaddition Directly from 2-Methylquinolines, Aldehydes and Alkynoates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00280","","","0.71073","MoKα","","0.0567","0.0459","","","0.1353","0.1494","","","","","","1.038","","","","has coordinates","194665","2020-10-21","18:00:00",""
"4032415","6.442","0.0001","7.5921","0.0001","21.9422","0.0003","90","","90","","90","","1073.16","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0364","0.0351","","0.0638","0.0629","0.0638","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032416","15.7767","0.0002","9.4629","0.0001","16.1402","0.0002","90","","91.7342","0.0013","90","","2408.52","0.05","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","0.71073","MoKα","","0.0466","0.0389","","0.0767","0.0687","0.0767","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032417","11.4714","0.0017","5.613","0.0006","16.915","0.002","90","","95.648","0.012","90","","1083.9","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0698","0.0577","","0.1638","0.1506","0.1638","","","","","","0.9998","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032418","14.6135","0.0002","5.8504","0.0001","14.6942","0.0002","90","","96.2796","0.0015","90","","1248.74","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.037","0.036","","0.0977","0.0964","0.0977","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032419","12.3613","0.0002","13.2672","0.0002","17.5612","0.0003","87.226","0.001","80.444","0.001","73.165","0.001","2718.35","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 Pd -","- C64 H56 Cl5 N3 Pd -","- C128 H112 Cl10 N6 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1262","0.0586","","","0.1202","0.1463","","","","","","0.996","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032420","13.21","0.0011","26.743","0.002","31.09","0.002","90","","96.562","0.005","90","","10911.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C255 H226 Cl14 N12 Pd4 -","- C255 H226 Cl14 N12 Pd4 -","- C510 H452 Cl28 N24 Pd8 -","2","0.5","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.184","0.0971","","","0.2473","0.311","","","","","","1.028","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032421","12.3395","0.0002","13.3565","0.0002","17.8538","0.0003","86.124","0.001","80.077","0.001","72.969","0.001","2770.94","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 O Pd -","- C64 H56 Cl5 N3 O Pd -","- C128 H112 Cl10 N6 O2 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.0497","0.0421","","","0.1123","0.1201","","","","","","1.019","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032422","19.631","0.0015","12.8061","0.001","23.818","0.002","90","","96.512","0.005","90","","5949.1","0.8","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63.88 H56.76 Cl3.76 N3 O4 Pd -","- C63.882 H56.764 Cl3.764 N3 O4 Pd -","- C255.528 H227.056 Cl15.056 N12 O16 Pd4 -","4","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1078","0.0584","","","0.1492","0.179","","","","","","1.016","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032423","53.153","0.006","5.7648","0.0006","26.264","0.003","90","","116.484","0.003","90","","7203.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 F O2 -","- C24 H19 F O2 -","- C384 H304 F16 O32 -","16","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0659","0.0414","","","0.088","0.0996","","","","","","1.025","","","","has coordinates","194756","2020-10-21","18:00:00",""
"4032424","9.6023","0.0008","11.2451","0.0009","19.0201","0.0015","90","","90","","90","","2053.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhu, Meina; Chen, Jingchao; He, Xiaobo; Gu, Cuiping; Xu, Jianbin; Fan, Baomin","Iridium-Catalyzed Anti-Stereoselective Asymmetric Ring-Opening Reactions of Azabenzonorbornadienes with Carboxylic Acids.","The Journal of organic chemistry","2017","82","6","3167","3172","10.1021/acs.joc.7b00178","","","1.54178","CuKα","","0.0459","0.0458","","","0.1287","0.1289","","","","","","1.057","","","","has coordinates","194757","2020-10-21","18:00:00",""
"4032425","4.438","0.004","10.21","0.01","15.7","0.02","100.87","0.06","95.25","0.05","93.71","0.03","693.3","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-METHYL-1-PHENYL-[1,3]DIOXOLO[4,5,6,7]CHROMENO[2,3-c]PYRAZOL-4(1H)-ONE","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C36 H24 N4 O8 -","2","1","","Obulesu, Owk; Babu, K. Harish; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Copper-Catalyzed Tandem O-Arylation-Oxidative Cross Coupling: Synthesis of Chromone Fused Pyrazoles.","The Journal of organic chemistry","2017","82","6","2926","2934","10.1021/acs.joc.6b02890","","","0.71073","MoKα","","0.0524","0.0387","","","0.0946","0.1026","","","","","","1.071","","","","has coordinates","194758","2020-10-21","18:00:00",""
"4032426","7.5018","0.0012","12.743","0.002","13.473","0.002","65.335","0.004","79.309","0.004","86.703","0.004","1149.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C48 H56 N4 O8 S4 -","2","1","","Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst","Beilstein Journal of Organic Chemistry","2017","13","","639","","10.3762/bjoc.13.62","","","0.71073","MoKα","","0.1401","0.0822","","","0.1841","0.206","","","","","","1.078","","","","has coordinates","195196","2020-10-21","18:00:00",""
"4032427","9.1158","0.0006","9.4944","0.0007","9.9154","0.0007","61.548","0.001","71.971","0.001","72.698","0.001","705.83","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","1","0.5","","Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst","Beilstein Journal of Organic Chemistry","2017","13","","639","","10.3762/bjoc.13.62","","","0.71073","MoKα","","0.0529","0.0439","","","0.1036","0.1102","","","","","","1.003","","","","has coordinates","195197","2020-10-21","18:00:00",""
"4032428","10.0324","0.0009","17.4049","0.0012","10.1453","0.0006","90","","101.401","0.007","90","","1736.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N5 O2 S2 -","- C15 H19 N5 O2 S2 -","- C60 H76 N20 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0796","0.0389","","","0.0875","0.0927","","","","","","1.012","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032429","11.449","0.003","9.3485","0.0001","17.637","0.003","90","","108.7","0.004","90","","1788.1","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N4 O S -","- C7 H8 N4 O S -","- C56 H64 N32 O8 S8 -","8","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0692","0.0366","","","0.0861","0.0901","","","","","","1","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032430","25.518","0.001","8.0088","0.0003","23.3552","0.0009","90","","93.9449","0.0012","90","","4761.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C32H26O4","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0503","0.0425","","","0.1099","0.1187","","","","","","1.028","","","","has coordinates","196139","2020-10-21","18:00:00",""
"4032431","10.4204","0.0004","16.8718","0.0007","30.1306","0.0012","90","","90","","90","","5297.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","","Rao, V. U. Bhaskara; Kumar, Krishna; Das, Tamal; Vanka, Kumar; Singh, Ravi P.","DBU-mediated Diastereoselective Aldol-type Cyanomethylation of Isatins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00512","","","0.71073","MoKα","","0.0619","0.0527","","","0.1103","0.1149","","","","","","1.176","","","","has coordinates","195245","2020-10-21","18:00:00",""
"4032432","10.4901","0.0013","10.6393","0.0012","26.13","0.004","90","","90","","90","","2916.3","0.7","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","2-(4-Cyano-2,3,5,6-tetrafluorophenyl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazol-3-oxide-1-oxyle","","- C14 H12 F4 N3 O2 -","- C14 H12 F4 N3 O2 -","- C112 H96 F32 N24 O16 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1087","0.0654","","","0.1415","0.1699","","","","","","1.09","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032433","10.3528","0.0003","10.8047","0.0003","26.1688","0.0006","90","","90","","90","","2927.21","0.14","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","4-(4,4,5,5-Tetramethyl-1-oxyl-4,5-dihydro-1H-imidazol-2-yl)- 2,3,5,6-tetrafluorobenzonitrile","","- C14 H12 F4 N3 O -","- C14 H12 F4 N3 O -","- C112 H96 F32 N24 O8 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.0773","0.0565","","","0.1364","0.1687","","","","","","1.032","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032434","10.0863","0.0006","12.4846","0.0007","13.1297","0.0007","76.259","0.002","78.474","0.002","87.054","0.002","1573.62","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((di(4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyle-yl) (perfluorophenyl)methyl)amino)-2,3,5,6-tetrafluoro-benzonitrile","","- C28 H24 F9 N6 O4 -","- C28 H24 F9 N6 O4 -","- C56 H48 F18 N12 O8 -","2","1","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1234","0.0665","","","0.1749","0.2495","","","","","","1.235","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032435","11.2235","0.0002","12.7822","0.0003","13.1058","0.0003","62.549","0.001","83.916","0.001","87.437","0.001","1659.06","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Br2 N3 O -","- C40 H33 Br2 N3 O -","- C80 H66 Br4 N6 O2 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.0568","0.0391","","","0.1211","0.1311","","","","","","0.93","","","","has coordinates","196140","2020-10-21","18:00:00",""
"4032436","8.4038","0.0005","9.7159","0.0006","22.1773","0.0015","90","","90.719","0.006","90","","1810.6","0.2","323","","323","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","Ramesh, Karu; Satyanarayana, Gedu","A Domino Palladium-Catalyzed Cyclization: One-pot Synthesis of 4b-Alkyl-10-phenyl-4b,5-dihydroindeno[2,1-a]indenes via Carbopalladation Followed by C-H Activation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00254","","x-ray","1.54184","CuKα","","0.0879","0.0605","","","0.1511","0.1793","","","","","","1.025","","","","has coordinates","195332","2020-10-21","18:00:00",""
"4032437","14.5573","0.0009","9.7534","0.0006","22.1777","0.0015","90","","90.462","0.002","90","","3148.8","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 N9 O6 -","- C32 H41 N9 O6 -","- C128 H164 N36 O24 -","4","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0706","0.0494","","","0.1316","0.1473","","","","","","1.024","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032438","23.3708","0.0009","14.0581","0.0006","16.9479","0.0007","90","","93.186","0.002","90","","5559.6","0.4","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H37.66 N9 O4.66 -","- C24 H35 N9 O4.6645 -","- C192 H280 N72 O37.316 -","8","2","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0569","0.0397","","","0.0896","0.0986","","","","","","1.052","","","","has coordinates,has disorder","196143","2020-10-21","18:00:00",""
"4032439","10.6223","0.0005","11.869","0.0006","16.7855","0.0007","90","","104.442","0.002","90","","2049.38","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H57 N13 O9 -","- C34 H57 N13 O9 -","- C68 H114 N26 O18 -","2","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0568","0.0425","","","0.1061","0.1147","","","","","","1.023","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032440","14.2403","0.0003","14.2403","0.0003","32.6696","0.0009","90","","90","","120","","5737.4","0.2","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H39 N9 O3 -","- C39 H39 N9 O3 -","- C234 H234 N54 O18 -","6","0.333333","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0672","0.0477","","","0.1245","0.1321","","","","","","1.034","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032441","10.5904","0.0004","6.8559","0.0003","12.0499","0.0004","90","","109.077","0.002","90","","826.85","0.06","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Hrdina, Radim; Larrosa, Marta; Logemann, Christian","Triflic Acid Promoted Decarboxylation of Adamantane-oxazolidine-2-one: Access to Chiral Amines and Heterocycles.","The Journal of organic chemistry","2017","82","9","4891","4899","10.1021/acs.joc.7b00711","","","0.71073","MoKα","","0.0485","0.0383","","","0.0892","0.0927","","","","","","1.039","","","","has coordinates","197463","2020-10-21","18:00:00",""
"4032442","25.349","0.002","8.7736","0.0007","15.5435","0.0019","90","","106.651","0.004","90","","3311.9","0.6","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","2","","Hauduc, Clémence; Bélanger, Guillaume","General Approach toward Aspidospermatan-Type Alkaloids Using One-Pot Vilsmeier‒Haack Cyclization and Azomethine Ylide Cycloaddition","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00345","","x-ray","1.54178","CuKα","","0.1692","0.1038","","","0.2502","0.3105","","","","","","1.006","","","","has coordinates","195519","2020-10-21","18:00:00",""
"4032443","15.1665","0.0015","20.999","0.002","6.8761","0.0007","90","","93.678","0.002","90","","2185.4","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","AM-161206","","","- C23 H20 Br N O3 S2 -","- C23 H20 Br N O3 S2 -","- C92 H80 Br4 N4 O12 S8 -","4","1","","Soeta, Takahiro; Matsumoto, Akihiro; Sakata, Yoko; Ukaji, Yutaka","Development of a One-Pot Synthetic Method for Multifunctional Oxazole Derivatives Using Isocyanide Dichloride.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00296","","","1.54178","CuKα","","0.0607","0.0606","","","0.149","0.1491","","","","","","1.17","","","","has coordinates","195594","2020-10-21","18:00:00",""
"4032444","6.9573","0.0007","13.1585","0.0013","13.8579","0.0014","90","","90","","90","","1268.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ak","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0554","0.0488","","","0.1274","0.1326","","","","","","1.036","","","","has coordinates","197462","2020-10-21","18:00:00",""
"4032445","10.9331","0.0002","10.9331","0.0002","54.663","0.001","90","","90","","90","","6534","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C38 H53 N O4 -","- C38 H53 N O4 -","- C304 H424 N8 O32 -","8","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0376","0.0329","","","0.0902","0.0953","","","","","","1.124","","","","has coordinates,has disorder","197464","2020-10-21","18:00:00",""
"4032446","7.2203","0.0002","12.1227","0.0004","37.8288","0.0013","90","","90","","90","","3311.14","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N O3 -","- C38 H51 N O3 -","- C152 H204 N4 O12 -","4","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0399","0.038","","","0.1075","0.1144","","","","","","1.074","","","","has coordinates","197464","2020-10-21","18:00:00",""
"4032448","13.032","0.002","5.5995","0.001","13.2174","0.0017","90","","99.231","0.014","90","","952","0.3","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H18.504 N O4 S -","- C44 H37.008 N2 O8 S2 -","2","1","","Chen, Ying-Han; Sun, Xue-Li; Guan, Hua-Shi; Liu, Yan-Kai","The Diversity-Oriented One-Pot Synthesis to Construct Functionalized Chroman-2-one Derivatives and Other Heterocyclic Compounds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00461","","","1.54178","CuKα","","0.137","0.076","","","0.1664","0.218","","","","","","1.018","","","","has coordinates,has disorder","195726","2020-10-21","18:00:00",""
"4032449","14.3911","0.0014","10.3957","0.001","18.5711","0.0014","90","","119.604","0.005","90","","2415.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Liu, Wei; Du, Shan-Tao; Wang, Shu-Yue; Liao, Wei-Wei","Controllable Diastereodivergent Synthesis of Pyrrolo[2,1-a]isoquinolines via Catalytic Intramolecular Acylsulfenylation of Activated Alkenes.","The Journal of organic chemistry","2017","82","9","4829","4839","10.1021/acs.joc.7b00551","","","0.71073","MoKα","","0.0842","0.0485","","","0.1191","0.1439","","","","","","0.954","","","","has coordinates","197465","2020-10-21","18:00:00",""
"4032450","5.7229","0.0001","9.5442","0.0002","32.0798","0.0007","90","","90","","90","","1752.21","0.06","100","2","99.88","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O4 -","- C19 H19 Br O4 -","- C76 H76 Br4 O16 -","4","1","","Wang, Michael H.; Barsoum, David; Schwamb, C. Benjamin; Cohen, Daniel T.; Goess, Brian C.; Riedrich, Matthias; Chan, Audrey; Maki, Brooks E.; Mishra, Rama K.; Scheidt, Karl A.","Catalytic, Enantioselective β-Protonation through a Cooperative Activation Strategy.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00334","","","1.54178","CuKα","","0.0281","0.0252","","","0.0563","0.0575","","","","","","1.071","","","","has coordinates","195790","2020-10-21","18:00:00",""
"4032451","8.465","0.002","11.17","0.003","11.577","0.005","108.342","0.007","104.039","0.008","106.454","0.005","928","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O6 -","- C18 H19 Br O6 -","- C36 H38 Br2 O12 -","2","1","","Min, Junxiang; Xu, Guangyang; Sun, Jiangtao","Synthesis of Six-Membered Carbo-/Heterocycles via Cascade Reaction of Alkynes and Diazo Compounds.","The Journal of organic chemistry","2017","82","10","5492","5498","10.1021/acs.joc.7b00758","","","0.71073","MoKα","","0.0812","0.0562","","","0.1799","0.21","","","","","","1.016","","","","has coordinates","197458","2020-10-21","18:00:00",""
"4032452","27.9369","0.0005","20.0666","0.0004","20.6827","0.0004","90","","90","","90","","11594.7","0.4","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H28 F6 O2 -","- C50 H28 F6 O2 -","- C600 H336 F72 O24 -","12","1.5","","Tseng, Ting; Lu, Hsiu-Feng; Kao, Chen-Yi; Chiu, Chun-Wei; Chao, Ito; Prabhakar, Chetti; Yang, Jye-Shane","Redox-Gated Tristable Molecular Brakes of Geared Rotation.","The Journal of organic chemistry","2017","82","10","5354","5366","10.1021/acs.joc.7b00729","","","1.54178","CuKα","","0.1026","0.0703","","","0.189","0.2221","","","","","","1.066","","","","has coordinates","197456","2020-10-21","18:00:00",""
"4032453","6.8177","0.0008","17.185","0.002","19.121","0.002","90","","90","","90","","2240.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Cl N O4 -","- C27 H20 Cl N O4 -","- C108 H80 Cl4 N4 O16 -","4","1","","Jin, Jing-Hai; Li, Xiang-Yu; Luo, Xiaoyan; Fossey, John Stephen; Deng, Wei-Ping","Asymmetric Synthesis of cis-3,4-Dihydrocoumarins via [4+2] Cycloadditions Catalyzed by Amidine-Derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00367","","","0.71073","MoKα","","0.0586","0.0435","","","0.1005","0.1093","","","","","","1.026","","","","has coordinates","195884","2020-10-21","18:00:00",""
"4032454","6.2409","0.00005","50.3641","0.0003","8.2566","0.00006","90","","103.276","0.0007","90","","2525.83","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl2 N O5 Si -","- C23 H31 Cl2 N O5 Si -","- C92 H124 Cl8 N4 O20 Si4 -","4","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","x-ray","1.54184","CuKα","","0.0528","0.0505","","","0.1272","0.1292","","","","","","1.051","","","","has coordinates,has disorder","196015","2020-10-21","18:00:00",""
"4032455","10.6995","0.0004","15.0959","0.0006","34.2987","0.0013","90","","90","","90","","5539.9","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Br2 O2 -","- C36 H28 Br2 O2 -","- C288 H224 Br16 O16 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0399","0.0327","","","0.0781","0.0813","","","","","","1.068","","","","has coordinates","196016","2020-10-21","18:00:00",""
"4032456","9.9514","0.0002","12.1514","0.0003","16.6468","0.0003","109.612","0.001","93.845","0.001","106.074","0.001","1793.39","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 N3 O3 -","- C44 H43 N3 O3 -","- C88 H86 N6 O6 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.059","0.0504","","","0.1354","0.1425","","","","","","1.082","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032457","5.844","0.0001","9.814","0.0001","14.4195","0.0001","90","","90","","90","","827.002","0.017","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0267","0.0267","","0.0726","0.0725","0.0726","","","","","","1.0001","","","","has coordinates","196018","2020-10-21","18:00:00",""
"4032458","12.1155","0.0007","3.9036","0.0002","18.1199","0.0013","90","","107.25","0.007","90","","818.42","0.09","150","","150","","","","","","","","local","3","I 1 a 1","I -2ya","9","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0422","0.042","","0.107","0.107","0.107","","","","","","1.0464","","","","has coordinates","196019","2020-10-21","18:00:00",""
"4032459","9.5865","0.0002","13.2423","0.0004","15.168","0.0004","90","","90","","90","","1925.54","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","0.71073","MoKα","","0.0389","0.0317","","0.0752","0.0614","0.0733","","","","","","1","","","","has coordinates","196020","2020-10-21","18:00:00",""
"4032460","11.1814","0.0002","5.53776","0.00008","13.4546","0.0002","90","","96.2939","0.0015","90","","828.09","0.02","150","","150","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0381","0.0349","","0.0888","0.0857","0.0888","","","","","","0.9968","","","","has coordinates","196021","2020-10-21","18:00:00",""
"4032461","10.971","0.003","9.801","0.002","24.597","0.005","90","","95.854","0.014","90","","2631","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoxazinone","'Pentafluoro benzoxazinone'","","- C15 H8 F5 N O2 -","- C15 H8 F5 N O2 -","- C120 H64 F40 N8 O16 -","8","2","","Patel, Ketan; Deshmukh, Satej S.; Bodkhe, Dnyaneshwar; Mane, Manoj; Vanka, Kumar; Shinde, Dinesh; Rajamohanan, Pattuparambil R.; Nandi, Shyamapada; Vaidhyanathan, Ramanathan; Chikkali, Samir H.","Secondary Interactions Arrest the Hemiaminal Intermediate To Invert the Modus Operandi of Schiff Base Reaction: A Route to Benzoxazinones.","The Journal of organic chemistry","2017","82","8","4342","4351","10.1021/acs.joc.7b00352","","","1.54178","CuKα","","0.1305","0.0802","","","0.1675","0.1936","","","","","","1.052","","","","has coordinates","196022","2020-10-21","18:00:00",""
"4032462","20.399","0.0008","5.7846","0.0002","7.8899","0.0003","90","","98.458","0.004","90","","920.88","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0586","0.0565","","0.0962","0.0956","0.0962","","","","","","1","","","","has coordinates","196023","2020-10-21","18:00:00",""
"4032463","21.5986","0.0004","6.8991","0.00011","17.6362","0.0003","90","","104.596","0.002","90","","2543.17","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","2","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","x-ray","1.54184","CuKα","","0.0871","0.0842","","","0.2124","0.2142","","","","","","1.122","","","","has coordinates,has disorder","196024","2020-10-21","18:00:00",""
"4032464","7.1367","0.0001","13.239","0.0001","22.5108","0.0002","90","","90","","90","","2126.88","0.04","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0338","0.0332","","0.0578","0.0576","0.0578","","","","","","1","","","","has coordinates","196025","2020-10-21","18:00:00",""
"4032465","9.654","0.003","10.951","0.003","13.265","0.004","77.526","0.003","70.388","0.004","79.507","0.004","1280.7","0.7","293","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Br F2 N O3 -","- C29 H23 Br F2 N O3 -","- C58 H46 Br2 F4 N2 O6 -","2","1","","Huang, Honggui; Li, Yi","Sustainable Difluoroalkylation Cyclization Cascades of 1,8-Enynes.","The Journal of organic chemistry","2017","82","8","4449","4457","10.1021/acs.joc.7b00350","","","0.71073","MoKα","","0.0962","0.0634","","","0.1604","0.189","","","","","","1.021","","","","has coordinates","196026","2020-10-21","18:00:00",""
"4032466","8.0463","0.0002","11.0031","0.0003","22.3913","0.0005","90","","90","","90","","1982.4","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,9R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol","","- C19 H33 N O2 Si -","- C19 H33 N O2 Si -","- C76 H132 N4 O8 Si4 -","4","1","","Luo, Guanglin; Chen, Ling; Conway, Charles M.; Kostich, Walter; Johnson, Benjamin M.; Ng, Alicia; Macor, John E.; Dubowchik, Gene M.","Asymmetric Synthesis of the Major Metabolite of a Calcitonin Gene-Related Peptide Receptor Antagonist and Mechanism of Epoxide Hydrogenolysis.","The Journal of organic chemistry","2017","82","7","3710","3720","10.1021/acs.joc.7b00052","","","1.54178","CuKα","","0.0375","0.0362","","","0.1144","0.1163","","","","","","0.989","","","","has coordinates","196027","2020-10-21","18:00:00",""
"4032467","12.9896","0.0014","4.9301","0.0005","38.715","0.004","90","","96.427","0.006","90","","2463.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C120 H80 F24 N8 O16 -","8","2","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0612","0.05","","","0.1341","0.1424","","","","","","1.062","","","","has coordinates","196028","2020-10-21","18:00:00",""
"4032468","32.5385","0.0015","9.6703","0.0004","17.3689","0.0007","90","","120.546","0.003","90","","4706.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","S1493","","","- C30 H18 N O3 -","- C30 H18 N O3 -","- C240 H144 N8 O24 -","8","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.1135","0.1074","","","0.2811","0.2881","","","","","","1.041","","","","has coordinates","196029","2020-10-21","18:00:00",""
"4032469","11.9977","0.0014","12.188","0.0014","13.648","0.002","90","","93.308","0.002","90","","1992.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-di(pyridin-2-yl)-6H,12H-dibenzo[b,f][1,5]dithiocine-6,12-diamine","","- C24 H16 N4 S2 -","- C24 H16 N4 S2 -","- C96 H64 N16 S8 -","4","0.5","","Gangireddy, Pavankumar; Patro, Vidyavathi; Lam, Leighann; Morimoto, Mariko; Liebeskind, Lanny S.","Mechanism of Acylative Oxidation-Reduction-Condensation Reactions Using Benzoisothiazolones as Oxidant and Triethylphosphite as Stoichiometric Reductant.","The Journal of organic chemistry","2017","82","7","3513","3529","10.1021/acs.joc.7b00020","","","0.71073","MoKα","","0.0644","0.0524","","","0.1336","0.141","","","","","","1.056","","","","has coordinates","196030","2020-10-21","18:00:00",""
"4032470","10.454","0.001","11.4769","0.0012","12.4781","0.0015","95.655","0.001","109.758","0.002","94.323","0.001","1392.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Cl N2 O5 -","- C32 H29 Cl N2 O5 -","- C64 H58 Cl2 N4 O10 -","2","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1464","0.069","","","0.1303","0.1515","","","","","","1.049","","","","has coordinates","196031","2020-10-21","18:00:00",""
"4032471","9.6577","0.0002","26.6774","0.0005","10.5938","0.0002","90","","109.914","0.002","90","","2566.21","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O4 Si2 -","- C24 H42 O4 Si2 -","- C96 H168 O16 Si8 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0501","0.0462","","","0.1212","0.126","","","","","","1.061","","","","has coordinates","196032","2020-10-21","18:00:00",""
"4032472","12.5947","0.0002","6.7483","0.0001","14.1169","0.0003","90","","105.382","0.002","90","","1156.86","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0447","0.0425","","","0.1178","0.12","","","","","","1.044","","","","has coordinates","196033","2020-10-21","18:00:00",""
"4032473","7.6762","0.0006","10.2708","0.0009","12.3668","0.001","101.731","0.007","92.064","0.006","107.741","0.007","904.21","0.14","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhou, Xiaorong; Zhang, Zhiyin; Zhao, Hongyang; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Annulations of N-Methoxybenzamides and Ketenimines: Sterically and Electronically Controlled Synthesis of Isoquinolinones and Isoindolinones.","The Journal of organic chemistry","2017","82","7","3787","3797","10.1021/acs.joc.7b00258","","","0.71073","MoKα","","0.0659","0.047","","","0.109","0.1242","","","","","","1.05","","","","has coordinates","196034","2020-10-21","18:00:00",""
"4032474","11.515","0.002","13.218","0.002","11.683","0.002","90","","93.795","0.005","90","","1774.3","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C80 H32 N24 S12 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0825","0.0483","","","0.1016","0.1151","","","","","","1.03","","","","has coordinates","196193","2020-10-21","18:00:00",""
"4032475","14.218","0.002","3.651","0.0007","7.7954","0.0013","90","","90","","90","","404.66","0.12","100","","100","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C6 N6 S3 -","- C6 N6 S3 -","- C12 N12 S6 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0426","0.0387","","","0.0957","0.0979","","","","","","1.124","","","","has coordinates","196194","2020-10-21","18:00:00",""
"4032476","12.812","0.002","7.0885","0.0012","23.719","0.004","90","","90","","90","","2154.1","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.1035","0.0849","","","0.1797","0.1874","","","","","","1.349","","","","has coordinates","197459","2020-10-21","18:00:00",""
"4032477","10.3149","0.0012","6.163","0.0007","16.152","0.002","90","","105.452","0.015","90","","989.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0563","0.0436","","","0.1108","0.1219","","","","","","1.079","","","","has coordinates","197461","2020-10-21","18:00:00",""
"4032478","13.1943","0.0013","8.1217","0.0008","18.6026","0.0018","90","","107.453","0.003","90","","1901.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Chandrasekhar, D. Balaji; Tsay, Shwu-Chen; Pradhan, Tapan K.; Hwu, Jih Ru","Syntheses of Chroman-2-ones and α-Amino Acids through a Diastereoselective Domino Reaction.","The Journal of organic chemistry","2017","82","11","5524","5537","10.1021/acs.joc.7b00260","","","0.71073","MoKα","","0.0519","0.038","","","0.0872","0.0945","","","","","","1.027","","","","has coordinates","197467","2020-10-21","18:00:00",""
"4032479","18.65","0.007","5.121","0.003","14.299","0.005","90","","112.07","0.03","90","","1265.6","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-pentafluorophenyl)-2H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride","","- C10 H5 Cl F5 N5 -","- C10 H5 Cl F5 N5 -","- C40 H20 Cl4 F20 N20 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.0824","0.0489","","","0.102","0.1167","","","","","","1.082","","","","has coordinates,has disorder","196533","2020-10-21","18:00:00",""
"4032480","7.44","0.004","7.713","0.0008","13.61","0.006","86.48","0.02","74.24","0.05","85.21","0.03","748.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","4-methyl-7-(4-deureroxyphenyl)-2D-3D-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride D6-dimethylsulphoxide solvate","","- C12 H7 Cl D9 N5 O2 S -","- C12 H7 Cl D9 N5 O2 S -","- C24 H14 Cl2 D18 N10 O4 S2 -","2","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.0367","0.0304","","","0.0787","0.0828","","","","","","1.093","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032481","10.062","0.005","7.286","0.003","27.054","0.006","90","","105.89","0.02","90","","1907.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-[1,2,4]triazolo[3,2-c] [1,2,4]triazole","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","2","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1355","0.0574","","","0.0992","0.121","","","","","","1.061","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032482","17.903","0.005","6.752","0.002","24.726","0.006","90","","121.55","0.03","90","","2547.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium sulphate trihydrate","","- C20 H26 N10 O9 S -","- C20 H26 N10 O9 S -","- C80 H104 N40 O36 S4 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1537","0.0661","","","0.1338","0.1689","","","","","","1.04","","","","has coordinates,has disorder","196533","2020-10-21","18:00:00",""
"4032483","11.593","0.004","18.283","0.006","7.6","0.003","90","","97.58","0.02","90","","1596.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-[1,2,4]triazolo[3,2-c] [1,2,4]triazole acetic acid disolvate","","- C14 H17 N5 O5 -","- C14 H17 N5 O5 -","- C56 H68 N20 O20 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1983","0.0731","","","0.1279","0.1679","","","","","","0.995","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032484","6.147","0.0008","13.509","0.004","13.966","0.004","90","","105.541","0.019","90","","1117.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-1H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride","","- C10 H10 Cl N5 O -","- C10 H10 Cl N5 O -","- C40 H40 Cl4 N20 O4 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1022","0.0513","","","0.1076","0.1301","","","","","","1.069","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032485","14.789","0.004","10.621","0.003","23.418","0.006","90","","95.206","0.004","90","","3663.2","1.7","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 B N O2 -","- C48 H44 B N O2 -","- C192 H176 B4 N4 O8 -","4","1","","Kurata, Ryohei; Ito, Akihiro; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Diarylamino- and Diarylboryl-Substituted Donor‒Acceptor Pyrene Derivatives: Influence of Substitution Pattern on Their Photophysical Properties","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00315","","","0.7107","MoKα","","","0.0735","","","","0.2194","","","","","","1.143","","","","has coordinates","196560","2020-10-21","18:00:00",""
"4032486","10.4971","0.0002","7.6333","0.0001","16.6642","0.0003","90","","93.33","0.001","90","","1333.01","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0348","0.0325","","","0.0886","0.0916","","","","","","1.051","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032487","12.6062","0.0008","15.8957","0.001","6.5668","0.0004","90","","99.593","0.003","90","","1297.48","0.14","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0638","0.0505","","","0.13","0.1414","","","","","","1.067","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032488","10.0199","0.0017","11.491","0.002","8.1689","0.0014","90","","100.574","0.002","90","","924.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C36 H28 Br4 N8 O4 -","4","1","","Wang, Fang; Zhang, Tao; Tu, Hai-Yong; Zhang, Xing-Guo","Transition-Metal-Free Conversion of Trifluoropropanamides into Cyanoformamides through C-CF3 Bond Cleavage and Nitrogenation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00626","","","0.71073","MoKα","","0.0274","0.0266","","","0.0886","0.0893","","","","","","1.016","","","","has coordinates","196563","2020-10-21","18:00:00",""
"4032489","9.036","0.018","12.31","0.03","12.72","0.03","104.25","0.03","93.336","0.019","90.5","0.04","1369","5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Nickel-Catalyzed Directed C6-Selective C-H Alkylation of 2-Pyridones with Dienes and Activated Alkenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00682","","","0.71075","MoKα","","0.2225","0.1011","","","0.2282","0.3059","","","","","","1.067","","","","has coordinates","196564","2020-10-21","18:00:00",""
"4032490","8.624","0.0009","9.7739","0.0006","10.9703","0.0013","94.825","0.007","97.934","0.009","92.335","0.007","911.31","0.16","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl0.3 I2.62 N2 O -","- C14 H16 Cl0.3 I2.62 N2 O -","- C28 H32 Cl0.6 I5.24 N4 O2 -","2","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0577","0.0492","","","0.1246","0.1322","","","","","","1.089","","","","has coordinates,has disorder","197454","2020-10-21","18:00:00",""
"4032491","9.8611","0.0003","21.0117","0.0008","22.6116","0.001","68.296","0.004","78.859","0.003","84.254","0.003","4268.8","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 I5 N4 -","- C22 H23 I5 N4 -","- C132 H138 I30 N24 -","6","3","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","1.54184","CuKα","","0.0878","0.0562","","","0.1108","0.1271","","","","","","1.026","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032492","15.1173","0.0003","14.2656","0.0003","16.7613","0.0003","90","","90","","90","","3614.7","0.12","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N6 O5 -","- C18 H11 Cl N6 O5 -","- C144 H88 Cl8 N48 O40 -","8","1","","Iwai, Kento; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of Functionalized 3-Cyanoisoxazoles Using a Dianionic Reagent.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00811","","","1.54187","CuKα","","0.0363","0.0344","","","0.0863","0.0875","","","","","","1.082","","","","has coordinates","196593","2020-10-21","18:00:00",""
"4032493","19.0974","0.0009","19.0974","0.0009","8.3204","0.0004","90","","90","","90","","3034.5","0.2","100.02","","100.02","","","","","","","","","5","P -4 21 c","P -4 2n","114","","5,10,15,20-tetrakis((4-bromophenyl)thio)-2,3,7,8,12,13,17,18-octaethylporphyrin","","- C60 H58 Br4 N4 S4 -","- C60 H58 Br4 N4 S4 -","- C120 H116 Br8 N8 S8 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0361","0.0318","","","0.07","0.0713","","","","","","1.048","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032494","8.947","0.0005","55.603","0.003","20.6784","0.001","90","","91.7016","0.0015","90","","10282.6","0.9","100","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(phenylthio)porphyrin","","- C60 H62 N4 S4 -","- C60 H62 N4 S4 -","- C480 H496 N32 S32 -","8","2","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0631","0.0488","","","0.0999","0.105","","","","","","1.108","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032495","8.7585","0.0005","23.2617","0.0014","24.6838","0.0014","90","","90","","90","","5029","0.5","100.01","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(pyridin-2-ylthio)porphyrin","","- C56 H58 N8 S4 -","- C56 H58 N8 S4 -","- C224 H232 N32 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0736","0.0656","","","0.1695","0.1773","","","","","","1.035","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032496","14.405","0.0005","29.2714","0.0009","15.847","0.0005","90","","97.683","0.002","90","","6622","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(naphthyl-2-ylthio)porphyrin and 2,3,7,8,12,13,17,18-octaethyl-10,15,20-tri(naphthyl-2-ylthio)- 5-thiolporphyrin","","- C74 H68.8 N4 S4 -","- C74 H68.8 N4 S4 -","- C296 H275.2 N16 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0944","0.0678","","","0.1843","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032497","9.5646","0.0004","23.0982","0.0009","14.9997","0.0006","90","","93.453","0.002","90","","3307.8","0.2","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,3,7,8,12,13,17,18-octaethyl-5,10-dinitroporphyrinato] nickel(II)","","- C36 H42 N6 Ni O4 -","- C36 H42 N6 Ni O4 -","- C144 H168 N24 Ni4 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0533","0.0451","","","0.1176","0.124","","","","","","1.041","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032498","12.7085","0.0006","10.9353","0.0005","23.2462","0.0011","90","","92.6748","0.0015","90","","3227","0.3","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,20-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C144 H176 N24 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0761","0.0471","","","0.103","0.1159","","","","","","1.033","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032499","9.6015","0.0005","13.6688","0.0008","13.7637","0.0008","101.568","0.003","106.044","0.002","104.705","0.002","1606.37","0.16","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","2,3,7,8,12,13,17,18-octaethyl-5,15-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C72 H88 N12 O8 -","2","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0992","0.048","","","0.0995","0.1167","","","","","","1.001","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032500","8.6656","0.0011","13.9561","0.0017","27.365","0.003","90","","90","","90","","3309.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15-trinitroporphyrin","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0482","0.0411","","","0.0966","0.1","","","","","","1.058","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032501","9.8115","0.0005","13.4789","0.0006","22.6671","0.0015","90","","99.671","0.005","90","","2955.1","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","2","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.7107","MoKα","","0.1074","0.0603","","","0.128","0.1583","","","","","","1.056","","","","has coordinates","197453","2020-10-21","18:00:00",""
"4032502","13.8582","0.0014","8.4793","0.0008","17.1636","0.0017","90","","94.026","0.002","90","","2011.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F N O4 -","- C10 H10 F N O4 -","- C80 H80 F8 N8 O32 -","8","2","","Motornov, Vladimir A.; Muzalevskiy, Vasiliy M.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Radical Nitration-Debromination of α-Bromo-α-fluoroalkenes as a Stereoselective Route to Aromatic α-Fluoronitroalkenes-Functionalized Fluorinated Building Blocks for Organic Synthesis.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00578","","","0.71073","MoKα","","0.0775","0.057","","","0.1617","0.181","","","","","","1.045","","","","has coordinates,has disorder","196639","2020-10-21","18:00:00",""
"4032503","9.7574","0.0007","9.8733","0.0008","10.1948","0.0009","74.937","0.003","61.753","0.002","76.281","0.002","827.9","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.1122","0.0545","","","0.1155","0.1624","","","","","","1.004","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032504","9.6673","0.0007","10.8096","0.0008","11.3855","0.0009","99.155","0.006","97.058","0.006","106.058","0.006","1111.19","0.15","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 F N3 -","- C29 H20 F N3 -","- C58 H40 F2 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.0603","0.0429","","","0.0955","0.1085","","","","","","1.039","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032505","6.1641","0.0003","17.7996","0.0009","21.8234","0.0012","90","","90","","90","","2394.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0994","0.0472","","","0.1109","0.1324","","","","","","1.011","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032506","6.1649","0.0002","11.6215","0.0005","15.8461","0.0006","108.224","0.002","94.768","0.002","100.713","0.002","1047.35","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C48 H50 N2 O8 -","2","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0844","0.0454","","","0.1033","0.121","","","","","","1.027","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032507","5.793","0.002","23.033","0.009","7.148","0.003","90","","102.186","0.012","90","","932.3","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Yedage, Subhash Laxman; Bhanage, Bhalchandra M.","tert-Butyl Nitrite Mediated Synthesis of N-nitrosoamides, Carboxylic Acids, Benzocoumarins and Isocoumarins from Amides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00570","","","0.71073","MoKα","","0.1319","0.1089","","","0.3017","0.3161","","","","","","1.061","","","","has coordinates","196658","2020-10-21","18:00:00",""
"4032508","9.4847","0.0019","13.027","0.003","13.207","0.003","89.49","0.03","88.15","0.03","84.53","0.03","1623.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 S -","- C17 H18 N4 S -","- C68 H72 N16 S4 -","4","2","","Wang, Bingnan; Meng, Yinggao; Zhou, Yiming; Ren, Linning; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of 5-Amino and 3,5-Diamino Substituted 1,2,4-Thiadiazoles by I2-Mediated Oxidative N-S Bond Formation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00814","","","0.71073","MoKα","","0.0703","0.0555","","","0.1667","0.1832","","","","","","1.153","","","","has coordinates","196695","2020-10-21","18:00:00",""
"4032509","9.426","0.0019","11.425","0.002","13.494","0.003","83.39","0.03","72.61","0.03","71.28","0.03","1313.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Br Cl2 N3 O6 -","- C25 H24 Br Cl2 N3 O6 -","- C50 H48 Br2 Cl4 N6 O12 -","2","1","","Auria-Luna, Fernando; Marqués-López, Eugenia; Gimeno, M Concepción; Heiran, Roghayeh; Mohammadi, Somayeh; Herrera, Raquel P.","Asymmetric Organocatalytic Synthesis of Substituted Chiral 1,4-Dihydropyridine Derivatives.","The Journal of organic chemistry","2017","82","11","5516","5523","10.1021/acs.joc.7b00176","","","0.71073","MoKα","","0.0259","0.0228","","","0.0546","0.056","","","","","","1.031","","","","has coordinates","197468","2020-10-21","18:00:00",""
"4032510","11.9417","0.0007","19.9855","0.0012","13.5","0.0011","90","","114.978","0.001","90","","2920.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","triple[5]helicene","benzo[c]naphtho[2,1-l]phenanthro[3,4-g]chrysene","","- C43 H26 Cl2 -","- C43 H26 Cl2 -","- C172 H104 Cl8 -","4","1","","Saito, Hiromu; Uchida, Akira; Watanabe, Soichiro","Synthesis of a Three-Bladed Propeller-Shaped Triple [5]Helicene.","The Journal of organic chemistry","2017","82","11","5663","5668","10.1021/acs.joc.7b00486","","","0.71073","MoKα","","0.0835","0.0485","","","0.1075","0.1227","","","","","","1.019","","","","has coordinates","197469","2020-10-21","18:00:00",""
"4032511","28.8531","0.0006","28.8531","0.0006","10.2856","0.0002","90","","90","","90","","8562.8","0.3","200","2","200","2","","","","","","","","7","I 4","I 4","79","","","","- C38 H40 Cl N2 O2 Rh S -","- C38 H40 Cl N2 O2 Rh S -","- C304 H320 Cl8 N16 O16 Rh8 S8 -","8","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0724","0.0522","","","0.111","0.1212","","","","","","1.06","","","","has coordinates","197471","2020-10-21","18:00:00",""
"4032512","13.23","0.003","18.199","0.004","21.746","0.007","112.842","0.007","105.02","0.007","95.223","0.006","4551","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","1","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","0.71073","MoKα","","0.1431","0.1146","","","0.3334","0.3505","","","","","","2.389","","","","has coordinates,has disorder","197466","2020-10-21","18:00:00",""
"4032513","7.85","0.002","9.9","0.003","18.766","0.005","90","","90","","90","","1458.4","0.7","113","","113","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O Si -","- C16 H20 O Si -","- C64 H80 O4 Si4 -","4","1","","Koga, Shinya; Ueki, Shuhei; Shimada, Masaki; Ishii, Ryoma; Kurihara, Yu; Yamanoi, Yoshinori; Yuasa, Junpei; Kawai, Tsuyoshi; Uchida, Taka-Aki; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Access to Chiral Silicon Centers for Application to Circularly Polarized Luminescence Materials.","The Journal of organic chemistry","2017","82","12","6108","6117","10.1021/acs.joc.7b00583","","","0.7107","MoKα","","","0.0487","","","","0.1108","","","","","","1.055","","","","has coordinates","199587","2020-10-21","18:00:00",""
"4032514","13.1588","0.0018","13.1443","0.0018","19.143","0.003","90","","94.542","0.004","90","","3300.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C152 H96 Br8 N8 O32 -","8","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0748","0.0414","","","0.0973","0.1103","","","","","","1.017","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032515","7.8331","0.0019","11.78","0.003","12.011","0.003","82.353","0.004","82.268","0.004","73.792","0.004","1049.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Br Cl3 N O5 -","- C20 H15 Br Cl3 N O5 -","- C40 H30 Br2 Cl6 N2 O10 -","2","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0736","0.0438","","","0.1313","0.1494","","","","","","0.979","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032516","8.6175","0.0002","12.9014","0.0004","19.941","0.0007","90","","90","","90","","2217","0.12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O3 S2 -","- C23 H22 N2 O3 S2 -","- C92 H88 N8 O12 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0705","0.0474","","","0.106","0.1202","","","","","","1.069","","","","has coordinates","197005","2020-10-21","18:00:00",""
"4032517","8.7462","0.0002","12.0379","0.0003","17.0407","0.0005","90","","90","","90","","1794.15","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O S2 -","- C18 H25 N O S2 -","- C72 H100 N4 O4 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0677","0.0638","","","0.1529","0.157","","","","","","1.039","","","","has coordinates","197006","2020-10-21","18:00:00",""
"4032518","5.65117","0.00009","11.07138","0.00012","29.0073","0.0004","90","","90","","90","","1814.88","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 -","- C17 H29 N O4 -","- C68 H116 N4 O16 -","4","1","","Ruysbergh, Ewout; Van Hecke, Kristof; Stevens, Christian V.; De Kimpe, Norbert; Mangelinckx, Sven","Synthesis of 1,4-Oxazepane-2,5-diones via Cyclization of Rotationally Restricted Amino Acid Precursors and Structural Reassignment of Serratin.","The Journal of organic chemistry","2017","82","12","6210","6222","10.1021/acs.joc.7b00790","","x-ray","1.54184","CuKα","","0.0617","0.0531","","","0.1487","0.1624","","","","","","1.044","","","","has coordinates,has disorder","200714","2020-10-21","18:00:00",""
"4032519","16.0893","0.0015","13.5964","0.0011","7.3456","0.0008","90","","90.462","0.006","90","","1606.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl F N2 O7 -","- C14 H11 Cl F N2 O7 -","- C56 H44 Cl4 F4 N8 O28 -","4","1","","Moloney, Harold; Magnus, Nicholas A.; Buser, Jonas Y.; Embry, Matthew C.","Cyclization of Methyl-Coumalate-Derived Methyl 1-Benzamido-6-oxo-1,6-dihydropyridine-3-carboxylates: Assembly of the [1,2,4]Triazolo[1,5-a]pyridine Ring System.","The Journal of organic chemistry","2017","82","12","6279","6288","10.1021/acs.joc.7b00873","","","1.54178","CuKα","","0.1973","0.1824","","","0.4812","0.4891","","","","","","1.082","","","","has coordinates","200715","2020-10-21","18:00:00",""
"4032520","8.5498","0.0009","4.0298","0.0006","30.129","0.003","90","","96.739","0.004","90","","1030.9","0.2","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br N O5 S0 -","- C9 H8 Br N O5 -","- C36 H32 Br4 N4 O20 -","4","1","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.71073","MoKα","","","0.0791","","","0.2192","0.2303","","","","","","1.041","","","","has coordinates","197319","2020-10-21","18:00:00",""
"4032521","5.8996","0.0005","8.2125","0.0007","14.9493","0.0014","90","","92.622","0.003","90","","723.54","0.11","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","0.5","","Zhang, Jian; Lu, Xiunan; Li, Tingyan; Wang, Shanlu; Zhong, Guofu","Copper-Catalyzed Oxidative Cyclization of 2-Amino-azaarenes with Lignin Models: Synthesis of 3-Phenoxy Imidazo Heterocycles.","The Journal of organic chemistry","2017","82","10","5222","5229","10.1021/acs.joc.7b00480","","","0.71073","MoKα","","0.0988","0.0762","","","0.1748","0.1927","","","","","","1.045","","","","has coordinates,has disorder","197320","2020-10-21","18:00:00",""
"4032522","16.3855","0.0002","7.3631","0.00009","18.7465","0.0003","90","","90","","90","","2261.73","0.05","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0369","0.0306","","","0.0647","0.0667","","","","","","1.183","","","","has coordinates","197321","2020-10-21","18:00:00",""
"4032523","10.8211","0.0002","7.3341","0.0002","18.3161","0.0004","90","","101.919","0.002","90","","1422.28","0.06","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Smith, Robert J.; Nhu, Duong; Clark, Mitchell R.; Gai, Sinan; Lucas, Nigel T.; Hawkins, Bill C.","Synthesis of Chromones from 1,1-Diacylcyclopropanes: Toward the Synthesis of Bromophycoic Acid E.","The Journal of organic chemistry","2017","82","10","5317","5327","10.1021/acs.joc.7b00648","","","1.54184","CuKα","","0.0419","0.0401","","","0.1097","0.1117","","","","","","1.045","","","","has coordinates","197322","2020-10-21","18:00:00",""
"4032524","13.3138","0.0014","18.7196","0.0019","4.0464","0.0005","90","","90","","90","","1008.48","0.19","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.34139","GaKα","","0.059","0.0542","","","0.1391","0.1461","","","","","","1.094","","","","has coordinates","197323","2020-10-21","18:00:00",""
"4032525","11.1487","0.0005","13.6771","0.0007","15.266","0.0007","71.218","0.002","75.407","0.002","73.308","0.002","2078.07","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1112","0.0528","","","0.1119","0.1345","","","","","","1.016","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032526","10.93","0.004","14.661","0.005","14.878","0.005","90","","98.11","0.007","90","","2360.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1164","0.0763","","","0.1458","0.1623","","","","","","1.151","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032527","11.3","0.002","23.294","0.006","16.578","0.004","90","","94.778","0.008","90","","4348.5","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H49 N O3 -","- C53 H49 N O3 -","- C212 H196 N4 O12 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1145","0.0668","","","0.1354","0.1527","","","","","","1.072","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032528","10.3589","0.0005","17.6488","0.0006","36.7182","0.0015","90","","91.708","0.002","90","","6709.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 N O2 -","- C45 H33 N O2 -","- C360 H264 N8 O16 -","8","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1308","0.0758","","","0.1354","0.1575","","","","","","1.168","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032529","10.847","0.0007","7.3231","0.0005","13.5873","0.0009","90","","95.06","0.002","90","","1075.08","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C48 H50 Br2 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0657","0.0424","","","0.083","0.0926","","","","","","1.04","","","","has coordinates","197325","2020-10-21","18:00:00",""
"4032530","12.0769","0.0016","6.0438","0.0008","14.3621","0.0018","90","","112.912","0.004","90","","965.6","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0957","0.0523","","","0.0992","0.121","","","","","","1.037","","","","has coordinates","197326","2020-10-21","18:00:00",""
"4032531","8.2642","0.0002","8.2642","0.0002","59.668","0.004","90","","90","","90","","4075.1","0.3","294.3","0.1","294.3","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C192 H152 Cl8 O32 -","8","1","","Deng, Yu-Hua; Chu, Wen-Dao; Zhang, Xiang-Zhi; Yan, Xu; Yu, Ke-Yin; Yang, Liang-Liang; Huang, Hanmin; Fan, Chun-An","Cinchona Alkaloid Catalyzed Enantioselective [4 + 2] Annulation of Allenic Esters and in Situ Generated ortho-Quinone Methides: Asymmetric Synthesis of Functionalized Chromans.","The Journal of organic chemistry","2017","82","10","5433","5440","10.1021/acs.joc.7b00370","","","0.71073","MoKα","","0.0729","0.0565","","","0.1252","0.1365","","","","","","1.149","","","","has coordinates","197327","2020-10-21","18:00:00",""
"4032532","5.882","0.016","9","0.019","15.23","0.03","92.86","0.04","95.13","0.07","96.63","0.05","796","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C36 H38 N6 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0441","0.0401","","","0.0965","0.099","","","","","","1.069","","","","has coordinates","197328","2020-10-21","18:00:00",""
"4032533","7.5226","0.0013","8.7242","0.0015","10.8567","0.0019","70.464","0.003","74.325","0.003","73.849","0.003","632.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0619","0.0487","","","0.1146","0.1223","","","","","","1.038","","","","has coordinates","197329","2020-10-21","18:00:00",""
"4032534","10.1059","0.0005","17.653","0.0007","9.9226","0.0004","90","","112.424","0.005","90","","1636.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0501","0.0402","","","0.1035","0.1119","","","","","","1.041","","","","has coordinates","197330","2020-10-21","18:00:00",""
"4032535","9.8883","0.0007","16.9433","0.0011","17.7267","0.0012","89.88","0.004","76.345","0.004","89.937","0.004","2886","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C136 H136 N24 O8 -","8","8","","Mondal, Susmita; Samanta, Sadhanendu; Jana, Sourav; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Oxidative C-H Amination of Imidazopyridines at Ambient Temperature.","The Journal of organic chemistry","2017","82","8","4504","4510","10.1021/acs.joc.7b00564","","","0.71073","MoKα","","0.1948","0.091","","","0.2099","0.2778","","","","","","1.068","","","","has coordinates","197331","2020-10-21","18:00:00",""
"4032536","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Siegel, Dionicio","Synthetic Route Development for the Laboratory Preparation of Eupalinilide E.","The Journal of organic chemistry","2017","82","9","4640","4653","10.1021/acs.joc.7b00266","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","197332","2020-10-21","18:00:00",""
"4032537","8.9751","0.0004","17.186","0.0007","21.3036","0.0008","90","","90","","90","","3286","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br Cl3 F6 N2 O3 -","- C27 H34 Br Cl3 F6 N2 O3 -","- C108 H136 Br4 Cl12 F24 N8 O12 -","4","1","","Jin, Qiaowen; Zheng, Changwu; Zhao, Gang; Zou, Gang","Bifunctional Quaternary Ammonium Salts Catalyzed Stereoselective Conjugate Addition of Oxindoles to Electron-Deficient β-Haloalkenes.","The Journal of organic chemistry","2017","82","9","4840","4850","10.1021/acs.joc.7b00571","","","1.54178","CuKα","","0.0583","0.0514","","","0.1324","0.1387","","","","","","1.041","","","","has coordinates","197333","2020-10-21","18:00:00",""
"4032538","10.9526","0.0007","11.6626","0.001","29.56","0.002","90","","90","","90","","3775.9","0.5","102","3","102","3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","AKSIII_099","","- C15 H11 Br S -","- C15 H11 Br S -","- C180 H132 Br12 S12 -","12","3","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0842","0.0557","","","0.0797","0.0892","","","","","","0.998","","","","has coordinates","197334","2020-10-21","18:00:00",""
"4032539","5.3002","0.0002","15.1222","0.0007","10.5712","0.0005","90","","93.512","0.001","90","","845.7","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Awada, Hawraà; Grison, Claire M.; Charnay-Pouget, Florence; Baltaze, Jean-Pierre; Brisset, François; Guillot, Régis; Robin, Sylvie; Hachem, Ali; Jaber, Nada; Naoufal, Daoud; Yazbeck, Ogaritte; Aitken, David J.","Conformational Effects through Hydrogen Bonding in a Constrained γ-Peptide Template: From Intraresidue Seven-Membered Rings to a Gel-Forming Sheet Structure.","The Journal of organic chemistry","2017","82","9","4819","4828","10.1021/acs.joc.7b00494","","x-ray","0.71073","MoKα","","0.033","0.0298","","","0.0676","0.0695","","","","","","1.037","","","","has coordinates","197335","2020-10-21","18:00:00",""
"4032540","9.7004","0.0006","10.2894","0.0005","21.5422","0.0011","84.863","0.004","88.794","0.005","65.035","0.006","1941.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H70 Ni O2 P2 -","- C41 H70 Ni O2 P2 -","- C82 H140 Ni2 O4 P4 -","2","1","","Ding, Keying; Xu, Shi; Alotaibi, Rajeh; Paudel, Keshav; Reinheimer, Eric W.; Weatherly, Jessie","Nickel-Catalyzed Decarbonylation of Aromatic Aldehydes.","The Journal of organic chemistry","2017","82","9","4924","4929","10.1021/acs.joc.7b00284","","x-ray","0.71073","MoKα","","0.0747","0.0661","","","0.1847","0.1926","","","","","","1.025","","","","has coordinates,has disorder","197336","2020-10-21","18:00:00",""
"4032541","13.748","0.003","12.1123","0.0006","18.9","0.004","90","","142.47","0.04","90","","1917.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0808","0.0632","","","0.1568","0.1676","","","","","","1.07","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032542","7.57183","0.0001","14.7939","0.0002","16.2756","0.0003","90","","90","","90","","1823.14","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.094","0.1002","","","","","","1.029","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032543","13.0527","0.0006","11.2475","0.0005","13.2498","0.0006","90","","108.361","0.005","90","","1846.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0653","0.0488","","","0.137","0.1501","","","","","","1.121","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032544","9.6002","0.0003","13.5064","0.0006","14.3807","0.0007","91.541","0.004","90.982","0.003","93.835","0.003","1859.48","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","2","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0452","0.0374","","","0.0966","0.1041","","","","","","1.049","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032545","8.1841","0.0003","31.9088","0.0012","7.3248","0.0004","90","","90.232","0.004","90","","1912.82","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0712","0.0589","","","0.1616","0.1759","","","","","","1.039","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032546","7.5464","0.0007","9.5617","0.001","25.693","0.002","90","","90","","90","","1853.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0676","0.0558","","","0.1415","0.1527","","","","","","1.062","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032547","8.7575","0.0012","10.7101","0.0014","10.7153","0.0014","77.067","0.002","72.812","0.002","87.327","0.002","935.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C36 H40 Br2 N2 O8 -","2","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0632","0.045","","","0.0902","0.1143","","","","","","1.041","","","","has coordinates","197338","2020-10-21","18:00:00",""
"4032548","13.7908","0.0019","13.2366","0.0018","7.7897","0.0011","90","","100.818","0.002","90","","1396.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0728","0.0555","","","0.1168","0.127","","","","","","1.011","","","","has coordinates","197339","2020-10-21","18:00:00",""
"4032549","21.3227","0.0007","31.9115","0.0012","32.7689","0.0013","90","","90","","90","","22297.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C148 H144 N34 O14 Zn2 -","- C148 H144 N34 O14 Zn2 -","- C592 H576 N136 O56 Zn8 -","4","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","1.54178","CuKα","","0.0733","0.0556","","","0.1649","0.1737","","","","","","1.093","","","","has coordinates","197340","2020-10-21","18:00:00",""
"4032550","10.859","0.003","12.13","0.003","18.229","0.005","90","","90","","90","","2401.1","1.1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Man, Ning-Ning; Wang, Jia-Qi; Zhang, Li-Ming; Wen, Li-Rong; Li, Ming","Chemo-, Regio-, and Stereoselective Construction of Core Skeleton of Furo[2,3-b]pyrrole via Multicomponent Bicyclization Reaction.","The Journal of organic chemistry","2017","82","11","5566","5573","10.1021/acs.joc.7b00371","","","0.71073","MoKα","","0.0457","0.0424","","","0.0822","0.0838","","","","","","1.103","","","","has coordinates","197341","2020-10-21","18:00:00",""
"4032551","10.377","0.001","14.517","0.001","18.313","0.002","85.74","0.01","72.95","0.01","68.68","0.01","2455.4","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C79.63 H13.86 Cl0.77 F6 Li N O4 S2 -","- C79.626 H13.855 Cl0.771 F6 Li N O4 S2 -","- C159.252 H27.71 Cl1.542 F12 Li2 N2 O8 S4 -","2","1","","Okada, Hiroshi; Kawakami, Hiroki; Aoyagi, Shinobu; Matsuo, Yutaka","Crystallographic Structure Determination of Both [5,6]- and [6,6]-Isomers of Lithium-Ion-Containing Diphenylmethano[60]fullerene.","The Journal of organic chemistry","2017","82","11","5868","5872","10.1021/acs.joc.7b00730","","","0.41289","synchrotron","","0.066","0.0653","","","0.1823","0.1833","","","","","","1.077","","","","has coordinates,has disorder","197342","2020-10-21","18:00:00",""
"4032552","8.4064","0.0004","9.1017","0.0004","12.6039","0.0006","92.23","0.001","106.615","0.001","114.127","0.001","829.88","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Zhang, Dan; Kang, Zhenghui; Hu, Wenhao","Trapping of Transient Zwitterionic Intermediates by N-Acylpyridinium Salts: A Palladium-Catalyzed Diastereoselective Three-Component Reaction.","The Journal of organic chemistry","2017","82","11","5952","5958","10.1021/acs.joc.7b00560","","","0.71073","MoKα","","0.0945","0.0875","","","0.2346","0.2555","","","","","","1.152","","","","has coordinates","197343","2020-10-21","18:00:00",""
"4032553","9.8783","0.0011","19.628","0.002","20.062","0.002","90","","100.649","0.002","90","","3822.9","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C200 H144 N16 -","8","1","","Zhu, Yan-Shuo; Yuan, Bei-Bei; Guo, Jiao-Mei; Jin, Shao-Jing; Dong, Hua-Hui; Wang, Qi-Lin; Bu, Zhan-Wei","A Copper-Catalyzed Friedel-Crafts Alkylation/Cyclization Sequence: an Approach to Functionalized Pyrrolo[1,2-a]indole Spirooxindoles and 9H-Pyrrolo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","11","5669","5677","10.1021/acs.joc.7b00488","","","0.71073","MoKα","","0.0746","0.0426","","","0.1035","0.1207","","","","","","1.017","","","","has coordinates","197344","2020-10-21","18:00:00",""
"4032554","10.9997","0.0005","25.0507","0.0012","13.0048","0.0006","90","","112.42","0.003","90","","3312.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N6 O8 -","- C84 H80 N6 O8 -","- C168 H160 N12 O16 -","2","0.5","","Jarvis, Tia S.; Collins, Carleton G.; Dempsey, Janel M.; Oliver, Allen G.; Smith, Bradley D.","Synthesis and Structure of 3,3-Dimethylindoline Squaraine Rotaxanes.","The Journal of organic chemistry","2017","82","11","5819","5825","10.1021/acs.joc.7b00655","","","1.54184","CuKα","","0.0896","0.0779","","","0.2227","0.2358","","","","","","1.028","","","","has coordinates,has disorder","197345","2020-10-21","18:00:00",""
"4032555","19.7868","0.0003","19.7868","0.0003","10.0428","0.0003","90","","90","","90","","3931.93","0.14","130","","130","","","","","","","","","4","I -4","I -4","82","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Schlegel, Marcel; Schneider, Christoph","Lewis Acid-Catalyzed Nucleophilic Addition of Indoles to in Situ-Generated 2-Amidoallyl Cations.","The Journal of organic chemistry","2017","82","11","5986","5992","10.1021/acs.joc.7b00791","","","0.71073","MoKα","","0.0638","0.0475","","","0.0794","0.0841","","","","","","1.081","","","","has coordinates","197346","2020-10-21","18:00:00",""
"4032556","14.2252","0.0008","17.5063","0.0011","19.1686","0.0011","90","","90","","90","","4773.6","0.5","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl10 F N2 O2 Rh S -","- C40 H40 Cl10 F N2 O2 Rh S -","- C160 H160 Cl40 F4 N8 O8 Rh4 S4 -","4","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0604","0.049","","","0.1332","0.1417","","","","","","1.03","","","","has coordinates,has disorder","197347","2020-10-21","18:00:00",""
"4032557","8.325","0.003","11.876","0.004","14.568","0.005","82.969","0.012","82.6","0.011","77.932","0.011","1390","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 Cl2 N5 O4 -","- C27 H37 Cl2 N5 O4 -","- C54 H74 Cl4 N10 O8 -","2","1","","Kheria, Sanjeev; Rayavarapu, Suresh; Kotmale, Amol S.; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, Gangadhar J.","Coumarin-Appended Stable Fluorescent Self-Complementary Quadruple-Hydrogen-Bonded Molecular Duplexes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01249","","","0.71073","MoKα","","0.2252","0.1561","","","0.3956","0.4386","","","","","","1.406","","","","has coordinates,has disorder","197583","2020-10-21","18:00:00",""
"4032558","8.032","0.002","6.421","0.002","19.345","0.004","90","0.03","96.34","0.03","90","0.03","991.6","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C44 H44 N12 -","4","1","","Peterson, Joshua P.; Geraskina, Margarita R.; Zhang, Rui; Winter, Arthur H.","Effect of Substituents on the Bond Strength of Air-Stable Dicyanomethyl Radical Thermochromes.","The Journal of organic chemistry","2017","82","12","6497","6501","10.1021/acs.joc.7b01188","","","1.54184","","","0.0328","0.0317","","","0.0865","0.0876","","","","","","1.045","","","","has coordinates","200710","2020-10-21","18:00:00",""
"4032559","15.3912","0.0006","5.576","0.003","18.214","","90","0.012","92.26","","90","","1561.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","1","","Kumar, Pradeep; Aggarwal, Trapti; Verma, Akhilesh K.","Chemoselective Azidation of o-Alkynylaldehydes over [3 + 2] Cycloaddition and Subsequent Staudinger Reaction: Access to Benzonaphthyridines/Naphthyridines.","The Journal of organic chemistry","2017","82","12","6388","6397","10.1021/acs.joc.7b01016","","","0.71073","MoKα","","0.2081","0.0774","","","0.1377","0.1911","","","","","","0.916","","","","has coordinates","200713","2020-10-21","18:00:00",""
"4032560","17.3","0.004","7.8692","0.001","16.258","0.003","90","","117.18","0.03","90","","1968.9","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","1","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","0.71073","MoKα","","0.1646","0.0743","","","0.1715","0.259","","","","","","1.079","","","","has coordinates","200709","2020-10-21","18:00:00",""
"4032561","9.9156","0.0016","12.085","0.002","12.04","0.002","90","","112.791","0.003","90","","1330.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0733","0.0528","","","0.1356","0.1438","","","","","","0.953","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032562","14.851","0.003","6.8378","0.0012","13.732","0.002","90","","109.703","0.003","90","","1312.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0633","0.0503","","","0.1531","0.1694","","","","","","1.049","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032563","6.3659","0.0005","8.72","0.0007","10.5934","0.0008","89.053","0.006","73.759","0.005","73.554","0.005","540.23","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C24 H38 N2 O4 -","2","1","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0836","0.0569","","","0.1469","0.1632","","","","","","1.02","","","","has coordinates","200712","2020-10-21","18:00:00",""
"4032564","14.847","0.019","5.161","0.007","51.87","0.07","90","","91.829","0.013","90","","3973","9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F9 N O -","- C13 H6 F9 N O -","- C156 H72 F108 N12 O12 -","12","3","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.1596","0.0911","","","0.2177","0.2684","","","","","","1.005","","","","has coordinates","200707","2020-10-21","18:00:00",""
"4032565","8.649","0.002","11.121","0.003","14.546","0.004","90","","94.976","0.007","90","","1393.8","0.6","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H29 N3 O6 -","- C32 H29 N3 O6 -","- C64 H58 N6 O12 -","2","1","","Selva, Verónica; Larrañaga, Olatz; Castelló, Luis M; Nájera, Carmen; Sansano, José M; de Cózar, Abel","Diastereoselective [3 + 2] vs [4 + 2] Cycloadditions of Nitroprolinates with α,β-Unsaturated Aldehydes and Electrophilic Alkenes: An Example of Total Periselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00903","","","0.71073","MoKα","","0.2005","0.0662","","","0.1009","0.1389","","","","","","0.919","","","","has coordinates","197653","2020-10-21","18:00:00",""
"4032566","11.2228","0.0008","12.8435","0.0008","12.8455","0.0009","83.167","0.005","66.229","0.007","64.19","0.007","1521.8","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0702","0.0534","","","0.1257","0.1343","","","","","","1.049","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032567","9.2055","0.0003","8.1914","0.0002","20.5255","0.0005","90","","100.576","0.003","90","","1521.45","0.07","144","1","144","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C72 H72 N4 O16 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0489","0.0439","","","0.1161","0.1227","","","","","","1.043","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032568","8.9497","0.0003","42.7991","0.0018","11.4651","0.0004","90","","107.31","0.004","90","","4192.7","0.3","147","1","147","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H48 N2 O9 S2 -","- C47 H48 N2 O9 S2 -","- C188 H192 N8 O36 S8 -","4","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0769","0.0728","","","0.181","0.184","","","","","","1.084","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032569","9.2344","0.0006","12.8639","0.0008","12.9355","0.0009","98.362","0.005","105.308","0.006","103.305","0.006","1407.09","0.18","161","1","161","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C64 H60 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0588","0.0455","","","0.1209","0.1323","","","","","","1.034","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032570","9.4911","0.0002","13.2075","0.0002","15.3206","0.0003","90","","94.468","0.001","90","","1914.66","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N4 O10 S2 -","- C42 H34 N4 O10 S2 -","- C84 H68 N8 O20 S4 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0727","0.0436","","","0.0942","0.1084","","","","","","1.014","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032571","18.9139","0.0002","14.1757","0.0002","17.3955","0.0002","90","","93.736","0.001","90","","4654.13","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C240 H208 O32 -","8","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0848","0.0466","","","0.0995","0.1237","","","","","","0.929","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032572","12.3737","0.0004","23.7481","0.0006","14.264","0.0004","90","","91.626","0.002","90","","4189.8","0.2","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 N2 O6 S2 -","- C45 H42 Cl2 N2 O6 S2 -","- C180 H168 Cl8 N8 O24 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0655","0.0543","","","0.1553","0.1649","","","","","","1.07","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032573","8.6815","0.0003","31.3302","0.0011","11.5111","0.0004","90","","105.121","0.003","90","","3022.54","0.19","144","3","144","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C144 H144 N8 O32 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0503","0.0393","","","0.0929","0.0977","","","","","","1.098","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032574","9.2754","0.0005","20.029","0.001","17.8817","0.0009","90","","99.343","0.002","90","","3277.9","0.3","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 Li2 N2 O2 Si4 -","- C22 H56 Li2 N2 O2 Si4 -","- C88 H224 Li8 N8 O8 Si16 -","4","1","","Tai, Onkei; Hopson, Russell; Williard, Paul G.","Ligand Binding Constants to Lithium Hexamethyldisilazide (LiHMDS) Determined by Diffusion-ordered NMR Spectroscopy (DOSY).","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00800","","","0.71073","MoKα","","0.0794","0.0473","","","0.0963","0.1091","","","","","","1.0602","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032575","8.1568","0.0001","10.0681","0.0006","11.0261","0.0004","63.31","0.03","68.71","0.03","66.74","0.03","724","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0601","0.0566","","","0.1531","0.1545","","","","","","1.172","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032576","8.1443","0.0016","18.723","0.004","14.403","0.003","90","","98.79","0.03","90","","2170.5","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N4 O8 -","- C52 H48 N4 O8 -","- C104 H96 N8 O16 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.035","0.0334","","","0.0855","0.0866","","","","","","1.04","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032577","10.48005","0.00013","24.7093","0.0003","12.42655","0.00018","90","","112.802","0.0016","90","","2966.42","0.08","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N5 O4 -","- C33 H31 N5 O4 -","- C132 H124 N20 O16 -","4","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0356","0.0325","","","0.0831","0.0856","","","","","","1.023","","","","has coordinates,has disorder","197742","2020-10-21","18:00:00",""
"4032578","6.5282","0.0004","14.5999","0.0011","14.9551","0.001","111.076","0.007","99.361","0.005","92.468","0.005","1304.31","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N5 O5 -","- C27 H29 N5 O5 -","- C54 H58 N10 O10 -","2","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0528","0.0403","","","0.0898","0.0963","","","","","","1.031","","","","has coordinates","197743","2020-10-21","18:00:00",""
"4032579","10.119","0.002","11.447","0.002","16.905","0.003","76.716","0.004","84.104","0.004","75.228","0.004","1840.7","0.6","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","2","","Mao, Xiao-Feng; Zhu, Xiao-Ping; Li, Deng-Yuan; Liu, Pei-Nian","Cu-Catalyzed Cascade Annulation of Alkynols with 2-Azidobenzaldehydes: Access to 6H-Isochromeno[4,3-c]quinoline.","The Journal of organic chemistry","2017","82","13","7032","7039","10.1021/acs.joc.7b00937","","","0.71073","MoKα","","0.099","0.0633","","","0.1818","0.2121","","","","","","1.039","","","","has coordinates","200687","2020-10-21","18:00:00",""
"4032580","8.5801","0.0007","10.7907","0.0009","27.2","0.003","90","","93.515","0.001","90","","2513.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O4 S -","- C30 H22 Cl N O4 S -","- C120 H88 Cl4 N4 O16 S4 -","4","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Liu, Feng; Hao, Wen-Juan; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Radical Deaminative ipso-Cyclization of 4-Methoxyanilines with 1,7-Enynes for Accessing Spirocyclohexadienone-Containing Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2017","82","13","6621","6628","10.1021/acs.joc.7b00704","","","0.71073","MoKα","","0.26","0.0851","","","0.1098","0.1364","","","","","","0.91","","","","has coordinates","200680","2020-10-21","18:00:00",""
"4032581","10.7534","0.0005","10.9377","0.0005","10.9416","0.0005","89.154","0.003","62.158","0.002","85.36","0.002","1133.83","0.09","150","1","150","1","","","","","","","","4","P -1","-P 1","2","rl022","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","","Salvant, Justin Michael; Edwards, Anne Victoria; Kurek, Daniel Zachary; Looper, Ryan E.","Regioselective base-mediated cyclizations of mono-N-acylpropargylguanadines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00639","","","0.71073","MoKα","","0.0453","0.0375","","","0.0913","0.0977","","","","","","1.028","","","","has coordinates","197861","2020-10-21","18:00:00",""
"4032582","10.3646","0.0006","18.3605","0.001","25.0181","0.0015","90","","90","","90","","4760.9","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C192 H256 N16 O32 -","8","2","","Seo, Min-Seob; Sun, Daeyoung; Kim, Hyunwoo","Stereoselective Chiral Recognition of Amino Alcohols with 2,2'-Dihydroxybenzil.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00600","","","1.54178","CuKα","","0.0294","0.029","","","0.0755","0.076","","","","","","1.046","","","","has coordinates","197862","2020-10-21","18:00:00",""
"4032583","9.9808","0.0006","19.662","0.0008","11.5438","0.0007","90","","90.534","0.006","90","","2265.3","0.2","293.6","0.4","293.6","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O7 -","- C24 H28 O7 -","- C96 H112 O28 -","4","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.1043","0.058","","","0.1309","0.161","","","","","","1.051","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032584","11.325","0.002","11.6605","0.0019","11.833","0.002","67.547","0.016","63.377","0.019","67.27","0.019","1246.5","0.4","289.69","0.1","289.69","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O5 S -","- C26 H28 Br N O5 S -","- C52 H56 Br2 N2 O10 S2 -","2","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.0931","0.0534","","","0.0995","0.1176","","","","","","1.057","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032585","6.6306","0.0009","40.05","0.006","7.2452","0.001","90","","114.048","0.002","90","","1757","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 S -","- C18 H21 N O5 S -","- C72 H84 N4 O20 S4 -","4","1","","Anugu, Raghunath Reddy; Chegondi, Rambabu","Tunable Diastereoselective Desymmetrization of Cyclohexadienones Triggered by Copper-Catalyzed Three-Component Coupling Reaction.","The Journal of organic chemistry","2017","82","13","6786","6794","10.1021/acs.joc.7b00936","","","0.71073","MoKα","","0.0854","0.0791","","","0.1655","0.1688","","","","","","1.285","","","","has coordinates","200686","2020-10-21","18:00:00",""
"4032586","13.157","0.003","8.3944","0.0017","17.171","0.003","90","","90.06","0.03","90","","1896.5","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N O P -","- C25 H18 N O P -","- C100 H72 N4 O4 P4 -","4","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0723","0.0635","","","0.1444","0.1495","","","","","","1.134","","","","has coordinates","200685","2020-10-21","18:00:00",""
"4032587","20.772","0.002","7.4286","0.0008","18.5851","0.0017","90","","90","","90","","2867.8","0.5","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.1256","0.0908","","","0.2756","0.3111","","","","","","1.049","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032588","11.399","0.002","11.51","0.002","19.44","0.004","74.294","0.004","85.627","0.005","65.942","0.004","2240.4","0.7","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 F O2 -","- C30 H25 F O2 -","- C120 H100 F4 O8 -","4","2","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0781","0.0469","","","0.0968","0.1123","","","","","","1.017","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4032589","7.0295","0.0006","9.8296","0.0008","11.707","0.0009","101.647","0.005","105.413","0.005","103.993","0.005","725.41","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0935","0.0596","","","0.1507","0.1873","","","","","","1.131","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032590","7.624","0.0007","23.566","0.002","8.4581","0.0007","90","","93.5","0.005","90","","1516.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0531","0.0399","","","0.1131","0.1345","","","","","","1.108","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032591","8.1071","0.0006","9.3064","0.0007","22.2481","0.0017","90","","90","","90","","1678.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F O2 -","- C20 H21 F O2 -","- C80 H84 F4 O8 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0483","0.0402","","","0.1101","0.1287","","","","","","1.104","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032592","5.4384","0.0009","7.1721","0.0012","22.371","0.003","90","","94.674","0.009","90","","869.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0554","0.0469","","","0.1252","0.1431","","","","","","1.13","","","","has coordinates,has disorder","199583","2020-10-21","18:00:00",""
"4032593","8.748","0.0006","24.241","0.0013","9.1766","0.0006","90","","118.248","0.002","90","","1714.24","0.19","297.1","","297","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 Br N2 -","- C17 H25 Br N2 -","- C68 H100 Br4 N8 -","4","1","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.7107","MoKα","","","0.0492","","","","0.06","","","","","","1.063","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032594","7.727","0.004","10.325","0.005","12.026","0.005","103.002","0.005","102.154","0.005","102.174","0.005","879.7","0.7","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","1","0.5","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.71073","MoKα","","0.1236","0.0883","","","0.2218","0.2454","","","","","","1.081","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032595","8.51","0.0008","11.4993","0.001","12.8103","0.0011","86.11","0.003","72.9","0.003","79.733","0.003","1178.84","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F2 O3 Si2 -","- C26 H28 F2 O3 Si2 -","- C52 H56 F4 O6 Si4 -","2","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.03","0.0287","","","0.0812","0.082","","","","","","1.059","","","","has coordinates","200681","2020-10-21","18:00:00",""
"4032596","8.843","0.004","16.849","0.008","14.023","0.004","90","","104.22","0.011","90","","2025.3","1.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I N O5 S -","- C20 H18 I N O5 S -","- C80 H72 I4 N4 O20 S4 -","4","1","","Raji Reddy, Chada; Ranjan, Ravi; Prajapti, Santosh Kumar; Warudikar, Kamalkishor","One-Pot Consecutive Sulfonamidation/ipso-Cyclization Strategy for the Construction of Azaspirocyclohexadienones.","The Journal of organic chemistry","2017","82","13","6932","6939","10.1021/acs.joc.7b01285","","","0.71073","MoKα","","0.0356","0.0313","","","0.0794","0.0825","","","","","","1.095","","","","has coordinates","200688","2020-10-21","18:00:00",""
"4032597","10.0406","0.0005","11.206","0.0005","17.3743","0.0009","90","","101.078","0.003","90","","1918.44","0.16","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.048","0.0399","","","0.1172","0.1225","","","","","","1.31","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032598","8.417","0.002","8.741","0.002","11.876","0.003","101.49","0.004","100.828","0.004","94.569","0.003","834.8","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O S -","- C21 H14 N2 O S -","- C42 H28 N4 O2 S2 -","2","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.1046","0.0519","","","0.1137","0.1348","","","","","","0.927","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032599","16.978","0.005","11.307","0.003","18.072","0.005","90","","100.741","0.015","90","","3408.5","1.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.0987","0.0708","","","0.1921","0.227","","","","","","1.2877","","","","has coordinates","199584","2020-10-21","18:00:00",""
"4032600","9.618","0.0008","9.7192","0.0008","16.7262","0.0013","90","","98.072","0.007","90","","1548.1","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Sasaki, Shunsuke; Suzuki, Satoshi; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","The K-Region in Pyrenes as a Key Position to Activate Aggregation-Induced Emission: Effects of Introducing Highly Twisted N,N-Dimethylamines.","The Journal of organic chemistry","2017","82","13","6865","6873","10.1021/acs.joc.7b00996","","","1.54187","CuKα","","0.1056","0.0912","","","0.3098","0.3294","","","","","","1.06","","","","has coordinates","200689","2020-10-21","18:00:00",""
"4032601","7.369","0.005","7.894","0.005","10.285","0.005","80.949","0.005","79.134","0.005","78.079","0.005","570.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H5 F5 N2 O -","- C13 H5 F5 N2 O -","- C26 H10 F10 N4 O2 -","2","1","","Savva, Anastasia C.; Mirallai, Styliana I.; Zissimou, Georgia A.; Berezin, Andrey A.; Demetriades, Marina; Kourtellaris, Andreas; Constantinides, Christos P.; Nicolaides, Constantinos; Trypiniotis, Theodossis; Koutentis, Panayiotis A.","Preparation of Blatter Radicals via Aza-Wittig Chemistry: The Reaction of N Aryliminophosphoranes with 1-(Het)aroyl-2-aryldiazenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01297","","","0.71069","MoKα","","0.0666","0.0484","","","0.1076","0.1242","","","","","","1.042","","","","has coordinates","198264","2020-10-21","18:00:00",""
"4032602","8.0176","0.0009","10.8219","0.0013","15.3565","0.0018","90","","90","","90","","1332.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diol","Bislactone","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Datta, Ritabrata; Ghosh, Subrata","Total synthesis of the marine polyketide (-)-gracilioether F.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01179","","","0.71073","MoKα","","0.0388","0.0314","","","0.0686","0.0725","","","","","","1.046","","","","has coordinates","198265","2020-10-21","18:00:00",""
"4032603","8.293","0.001","11.225","0.002","14.319","0.002","90","","102.805","0.002","90","","1299.8","0.3","103","1","103","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.0526","0.0507","","","0.1193","0.1207","","","","","","1.111","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032604","8.082","0.001","12.55","0.002","13.607","0.002","90","","90","","90","","1380.1","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.042","0.0404","","","0.1006","0.1025","","","","","","1.051","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032605","9.0377","0.0007","13.8122","0.001","14.1416","0.0009","65.188","0.002","77.413","0.002","86.05","0.003","1563.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N O10 S2 -","- C32 H33 N O10 S2 -","- C64 H66 N2 O20 S4 -","2","1","","B. Manjappa, Kiran; Lin, Jhih-Min; Yang, Ding-Yah","Construction of Pentacyclic Lamellarin Skeleton via Grob Reaction: Application to Total Synthesis of Lamellarins H and D","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01061","","x-ray","0.71073","MoKα","","0.0936","0.0642","","","0.1659","0.1822","","","","","","1.071","","","","has coordinates,has disorder","198290","2020-10-21","18:00:00",""
"4032606","9.7304","0.0004","23.2942","0.0009","11.4896","0.0004","90","","105.681","0.0017","90","","2507.32","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N O6 -","- C33 H25 N O6 -","- C132 H100 N4 O24 -","4","1","","B. Manjappa, Kiran; Lin, Jhih-Min; Yang, Ding-Yah","Construction of Pentacyclic Lamellarin Skeleton via Grob Reaction: Application to Total Synthesis of Lamellarins H and D","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01061","","x-ray","0.71073","MoKα","","0.0681","0.0515","","","0.1207","0.1307","","","","","","1.052","","","","has coordinates","198291","2020-10-21","18:00:00",""
"4032607","6.4306","0.0007","16.7199","0.0014","7.1732","0.0008","90","","108.253","0.004","90","","732.45","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena-diaquabarbiturate lithium(I)","","- C4 H7 Li N2 O5 -","- C4 H7 Li N2 O5 -","- C16 H28 Li4 N8 O20 -","4","1","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; S.N. Vereshchagin","Polymeric Lithium(I) Diaquabarbiturate: Crystal Structure","Russian Journal of Inorganic Chemistry","2017","62","6","746","750","10.1134/S0036023617060092","","","0.71073","MoKα","","0.0417","0.0363","","","0.0935","0.0974","","","","","","1.027","","","","has coordinates","198310","2020-10-21","18:00:00",""
"4032608","24.9098","0.0006","14.0779","0.0004","14.5291","0.0003","90","","103.643","0.002","90","","4951.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Br2 N3 O4 -","- C25 H23 Br2 N3 O4 -","- C200 H184 Br16 N24 O32 -","8","1","","González, Juan F; Rocchi, Damiano; Tejero, Tomás; Merino, Pedro; Menéndez, J Carlos","One-Pot Synthesis of Functionalized Carbazoles via a CAN-Catalyzed Multicomponent Process Comprising a C-H Activation Step.","The Journal of organic chemistry","2017","82","14","7492","7502","10.1021/acs.joc.7b01199","","","1.54178","CuKα","","0.0751","0.0469","","","0.1147","0.1306","","","","","","1.031","","","","has coordinates","200693","2020-10-21","18:00:00",""
"4032609","14.2417","0.0007","10.5901","0.0005","25.0529","0.0013","90","","92.0537","0.0008","90","","3776.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 N2 O4 -","- C48 H44 N2 O4 -","- C192 H176 N8 O16 -","4","1","","Wang, Chuan-Zeng; Ichiyanagi, Hisashi; Sakaguchi, Koya; Feng, Xing; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-Based Approach to Tune Emission Color from Blue to Yellow.","The Journal of organic chemistry","2017","82","14","7176","7182","10.1021/acs.joc.7b00685","","","0.71073","MoKα","","0.0708","0.0546","","","0.149","0.1648","","","","","","1.035","","","","has coordinates,has disorder","200694","2020-10-21","18:00:00",""
"4032610","25.7192","0.0016","9.835","0.0007","21.2755","0.0015","90","","120.041","0.002","90","","4658.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cl N2 O1.5 -","- C23 H29 Cl N2 O1.5 -","- C184 H232 Cl8 N16 O12 -","8","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.0965","0.0636","","","0.1721","0.1925","","","","","","1.025","","","","has coordinates","200697","2020-10-21","18:00:00",""
"4032611","9.2129","0.0007","16.459","0.0013","19.8551","0.0016","107.842","0.0014","98.547","0.0014","98.6723","0.0013","2771.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H25 Cl O4 -","- C38.5 H25 Cl O4 -","- C154 H100 Cl4 O16 -","4","2","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0786","0.0497","","","0.1169","0.1319","","","","","","1.023","","","","has coordinates,has disorder","200699","2020-10-21","18:00:00",""
"4032612","10.6484","0.0004","33.8001","0.0013","7.8681","0.0003","90","","109.035","0.0014","90","","2677.01","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O5 -","- C36 H24 O5 -","- C144 H96 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0626","0.0458","","","0.1188","0.1299","","","","","","1.042","","","","has coordinates","200699","2020-10-21","18:00:00",""
"4032613","8.1248","0.0008","21.0141","0.0018","11.2657","0.0011","90","","99.032","0.003","90","","1899.6","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C104 H112 -","4","1","","Álvarez-Pérez, Mónica; Frutos, María; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold(I)-Catalyzed Cycloisomerization-Dimerization Cascade of Benzene-Tethered 1,6-Enynes.","The Journal of organic chemistry","2017","82","14","7546","7554","10.1021/acs.joc.7b01273","","","0.71073","MoKα","","0.0961","0.0496","","","0.1002","0.1174","","","","","","1.018","","","","has coordinates","199585","2020-10-21","18:00:00",""
"4032614","7.5298","0.0018","9.348","0.002","21.33","0.005","90","","97.807","0.005","90","","1487.5","0.6","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F2 O4 -","- C16 H16 F2 O4 -","- C64 H64 F8 O16 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","0.71073","MoKα","","0.0769","0.0507","","","0.1366","0.156","","","","","","1.037","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032615","8.2959","0.0002","8.2959","0.0002","45.7622","0.0011","90","","90","","90","","3149.44","0.13","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0343","0.0318","","","0.076","0.0774","","","","","","1.073","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032616","8.2655","0.0002","8.2655","0.0002","45.8542","0.0013","90","","90","","90","","3132.69","0.14","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0458","0.0438","","","0.118","0.1201","","","","","","1.069","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032617","12.3744","0.0002","17.1213","0.0004","7.8002","0.0002","90","","98.987","0.001","90","","1632.31","0.06","173.1","","173.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 O3 -","- C19 H16 F3 O3 -","- C76 H64 F12 O12 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0516","0.0489","","","0.1452","0.1492","","","","","","1.045","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032618","10.233","0.002","11.859","0.002","12.572","0.003","103.61","0.03","95.99","0.03","96.67","0.03","1459","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Cl2 O2 -","- C39 H30 Cl2 O2 -","- C78 H60 Cl4 O4 -","2","1","","Fang, Lei; Li, Meng; Lin, Wei-Bin; Shen, Yun; Chen, Chuan-Feng","Synthesis, Structures, and Photophysical Properties of Optically Stable 1,16-Diphenyl-3,14-diaryl-Substituted Tetrahydrobenzo[5]helicenediol Derivatives: Enantioselective Recognition toward Tryptophan Methyl Esters.","The Journal of organic chemistry","2017","82","14","7402","7409","10.1021/acs.joc.7b01087","","","0.71073","MoKα","","0.1445","0.1211","","","0.3053","0.3223","","","","","","1.152","","","","has coordinates,has disorder","200691","2020-10-21","18:00:00",""
"4032619","15.8256","0.0002","16.314","0.0002","29.6844","0.0003","90","","90","","90","","7663.88","0.16","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H37 N5 O2 S2 Zn -","- C46 H37 N5 O2 S2 Zn -","- C368 H296 N40 O16 S16 Zn8 -","8","2","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","0.71073","MoKα","","0.0407","0.0336","","0.0757","0.0706","0.0757","","","","","","1","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032620","20.7707","0.0001","12.2277","0.0001","15.6407","0.0001","90","","90","","90","","3972.39","0.05","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H39 N5 O2 S2 Zn -","- C47 H39 N5 O2 S2 Zn -","- C188 H156 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0269","0.0254","","0.0678","0.0652","0.0678","","","","","","1.0008","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032621","9.1845","0.0006","49.152","0.006","9.3517","0.0006","90","","92.324","0.005","90","","4218.2","0.6","300","","300","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C196 H172 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.119","0.1028","","0.2579","0.2467","0.2579","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032622","12.1123","0.0002","25.4859","0.0005","31.6032","0.0007","90","","90","","90","","9755.7","0.3","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C392 H344 N40 O16 S16 Zn8 -","8","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.0671","0.0488","","0.1302","0.1157","0.1297","","","","","","1.0486","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032623","8.6098","0.0002","14.9172","0.0003","16.4216","0.0004","84.6169","0.0018","83.504","0.0018","81.8061","0.0018","2067.68","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H35 Br2 N5 O2 S2 Zn -","- C46 H35 Br2 N5 O2 S2 Zn -","- C92 H70 Br4 N10 O4 S4 Zn2 -","2","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0295","0.0269","","0.0713","0.0693","0.0713","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032624","8.4714","0.0001","12.5943","0.0003","21.8373","0.0004","92.5573","0.0017","96.0799","0.0015","98.6538","0.0015","2286.02","0.07","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Br2 Cl3 N5 O2 S2 Zn -","- C48 H38 Br2 Cl3 N5 O2 S2 Zn -","- C96 H76 Br4 Cl6 N10 O4 S4 Zn2 -","2","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0377","0.0362","","0.0992","0.0976","0.0992","","","","","","1.0045","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032625","29.0785","0.0001","15.1984","0.0001","24.2182","0.0002","90","","123.5","0.0003","90","","8925.18","0.1","150","","150","","","","0","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 Br2 N5 O2 S2 Zn -","- C49 H41 Br2 N5 O2 S2 Zn -","- C392 H328 Br16 N40 O16 S16 Zn8 -","8","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","0.71073","MoKα","","0.0464","0.0347","","0.0802","0.0718","0.0802","","","","","","1","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032626","6.716","0.0005","12.7198","0.0009","15.1029","0.0011","90","","93.274","0.004","90","","1288.08","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.0748","0.0556","","","0.1318","0.1419","","","","","","1.031","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032627","13.8806","0.0007","8.3368","0.0004","10.7495","0.0005","90","","106.976","0.002","90","","1189.73","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.047","0.0385","","","0.0953","0.1004","","","","","","1.089","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032628","7.047","0.003","13.916","0.005","14.573","0.005","90","","92.186","0.006","90","","1428.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 B F2 N2 -","- C19 H13 B F2 N2 -","- C76 H52 B4 F8 N8 -","4","1","","Golden, Jessica H.; Facendola, John W.; Sylvinson, Daniel; Baez, Cecilia Quintana; Djurovich, Peter I.; Thompson, Mark E.","Boron dipyridylmethene (DIPYR) dyes: shedding light on pyridine-based chromophores.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00786","","","0.71073","MoKα","","0.0836","0.0499","","","0.1214","0.1391","","","","","","1.011","","","","has coordinates","198650","2020-10-21","18:00:00",""
"4032629","5.8786","0.0008","15.347","0.002","17.938","0.002","90","","90","","90","","1618.3","0.4","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Br N O2 S -","- C14 H20 Br N O2 S -","- C56 H80 Br4 N4 O8 S4 -","4","1","","Lahosa, Alejandro; Soler, Tatiana; Arrieta, Ana; Cossio, Fernando P.; Foubelo, Francisco; Yus, Miguel","Stereoselective Coupling of N-tert-Butanesulfinyl Aldimines and β-Keto Acids: Access to β-Amino Ketones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01178","","","0.71073","MoKα","","0.0407","0.0284","","","0.0583","0.0611","","","","","","0.915","","","","has coordinates","198651","2020-10-21","18:00:00",""
"4032630","11.538","0.0004","7.1373","0.0003","13.3704","0.0005","90","","105.677","0.004","90","","1060.1","0.07","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cu F6 N3 P -","- C18 H25 Cu F6 N3 P -","- C36 H50 Cu2 F12 N6 P2 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0381","0.0347","","","0.0937","0.0971","","","","","","1.067","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032631","7.7369","0.0004","12.5096","0.0006","13.5497","0.0005","100.056","0.003","95.648","0.004","100.226","0.004","1259.37","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cu F6 N2 O8 S2 -","- C18 H26 Cu F6 N2 O8 S2 -","- C36 H52 Cu2 F12 N4 O16 S4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0748","0.0528","","","0.1231","0.1291","","","","","","0.99","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032632","6.82057","0.00013","11.84181","0.00017","43.3692","0.0007","90","","90","","90","","3502.84","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Cu F6 N3 O2 P -","- C32 H51 Cu F6 N3 O2 P -","- C128 H204 Cu4 F24 N12 O8 P4 -","4","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0414","0.0386","","","0.104","0.1063","","","","","","1.04","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032633","12.91725","0.0001","17.87891","0.00015","22.3041","0.0002","90","","102.634","0.0008","90","","5026.33","0.07","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52.56 H73.11 Cu F6 N4 O2.85 P -","- C52.556 H73.112 Cu F6 N4 O2.852 P -","- C210.224 H292.448 Cu4 F24 N16 O11.408 P4 -","4","2","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0379","0.036","","","0.096","0.0979","","","","","","1.031","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032634","12.5445","0.0012","11.1792","0.0007","20.415","0.002","90","","107.466","0.008","90","","2731","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N4 O4 S3 -","- C26 H30 N4 O4 S3 -","- C104 H120 N16 O16 S12 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.1643","0.0709","","","0.159","0.2159","","","","","","1.013","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032635","10.9341","0.0019","11.8693","0.0018","11.054","0.002","90","","104.497","0.007","90","","1388.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O4 S2 -","- C28 H32 N4 O4 S2 -","- C56 H64 N8 O8 S4 -","2","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.2103","0.0776","","","0.0888","0.11","","","","","","1.14","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032636","11.5064","0.0009","9.9143","0.001","12.9226","0.0012","90","","112.061","0.007","90","","1366.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","1.54178","CuKα","","0.1587","0.0963","","","0.2321","0.2959","","","","","","0.961","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032637","19.907","0.002","11.6503","0.0009","12.8343","0.0012","90","","99.37","0.004","90","","2936.8","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(5-bromothiophen-2-yl)-1,3-bis((tert-butyldimethylsilyl)oxy)- 4,4,5,5-tetramethylimidazolidine","","- C23 H45 Br N2 O2 S Si2 -","- C23 H45 Br N2 O2 S Si2 -","- C92 H180 Br4 N8 O8 S4 Si8 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.085","0.0465","","","0.0996","0.1151","","","","","","0.943","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032638","7.1928","0.0003","11.276","0.0005","19.2222","0.0009","92.856","0.004","94.94","0.004","103.966","0.004","1503.3","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2-(4-bromophenyl)-1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5- tetramethylimidazolidine","","- C25 H47 Br N2 O2 Si2 -","- C25 H47 Br N2 O2 Si2 -","- C50 H94 Br2 N4 O4 Si4 -","2","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.0475","0.0329","","","0.0711","0.078","","","","","","1.039","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032639","14.8434","0.0004","20.1222","0.0007","12.9937","0.0004","90","","111.258","0.002","90","","3616.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5-tetramethyl-2-(4-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)imidazolidine","","- C31 H59 B N2 O4 Si2 -","- C31 H59 B N2 O4 Si2 -","- C124 H236 B4 N8 O16 Si8 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.0535","0.0406","","","0.1037","0.1143","","","","","","1.034","","","","has coordinates,has disorder","198729","2020-10-21","18:00:00",""
"4032640","7.3684","0.0008","10.964","0.0011","40.733","0.004","84.629","0.002","88.353","0.003","73.129","0.003","3135.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H96 N4 O4 S Si4 -","- C54 H96 N4 O4 S Si4 -","- C108 H192 N8 O8 S2 Si8 -","2","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.13","0.0753","","","0.1642","0.1891","","","","","","1.043","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032641","7.1802","0.0005","11.4369","0.0008","19.3529","0.0016","98.727","0.006","90.143","0.006","104.044","0.006","1522.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H98 N4 O4 Si4 -","- C56 H98 N4 O4 Si4 -","- C56 H98 N4 O4 Si4 -","1","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.088","0.045","","","0.1014","0.1173","","","","","","0.922","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032642","8.7997","0.0004","10.3121","0.0005","15.5615","0.0009","90","","90","","90","","1412.1","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.71073","MoKα","","0.095","0.0593","","","0.1082","0.1324","","","","","","1.099","","","","has coordinates","200702","2020-10-21","18:00:00",""
"4032643","16.635","0.002","11.1334","0.0014","19.245","0.003","90","","90.581","0.003","90","","3564.1","0.8","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 F28 -","- C42 F28 -","- C168 F112 -","4","1","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0734","","","","0.1222","","","","","","1.29","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032644","15.5207","0.0019","28.081","0.004","7.3931","0.0009","90","","90","","90","","3222.2","0.7","173","","173","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C42 H14 F14 -","- C42 H14 F14 -","- C168 H56 F56 -","4","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0748","","","","0.1008","","","","","","1.243","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032645","16.0412","0.0006","9.7859","0.0003","12.6241","0.0005","90","","98.193","0.001","90","","1961.47","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 B2 F3 N O2 -","- C21 H22 B2 F3 N O2 -","- C84 H88 B8 F12 N4 O8 -","4","1","","Davies, Geraint H. M.; Jouffroy, Matthieu; Sherafat, Fatemeh; Saeednia, Borna; Howshall, Casey; Molander, Gary A.","Regioselective Diversification of 2,1-Borazaronaphthalenes: Unlocking Isosteric Space via C‒H Activation","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01331","","","0.71073","MoKα","","0.043","0.0398","","","0.1062","0.1092","","","","","","1.036","","","","has coordinates","198764","2020-10-21","18:00:00",""
"4032646","8.624","0.003","10.522","0.003","10.648","0.003","65.64","0.03","71.71","0.03","85.02","0.02","834.7","0.5","298.84","0.1","298.84","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.0973","0.0614","","","0.1507","0.1898","","","","","","1.016","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032647","13.8956","0.0011","15.1725","0.001","18.2472","0.0009","90","","102.099","0.007","90","","3761.6","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.1237","0.0714","","","0.1884","0.2182","","","","","","0.98","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032648","7.3877","0.0001","7.8178","0.0001","19.8494","0.0002","90","","90","","90","","1146.41","0.02","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0303","0.0299","","0.0555","0.0553","0.0555","","","","","","0.999","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032649","7.4666","0.0002","12.0831","0.0005","10.8645","0.0004","90","","90","","90","","980.19","0.06","150","","150","","","","","","","","locsl","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.055","0.0471","","0.1082","0.1041","0.1082","","","","","","0.9946","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032650","14.7787","0.0004","14.7787","0.0004","7.6213","0.0002","90","","90","","120","","1441.56","0.07","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C60 H72 O12 -","6","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.048","0.045","","0.111","0.1099","0.111","","","","","","1.0274","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032651","6.26451","0.00004","12.09608","0.00009","20.26568","0.00014","90","","90","","90","","1535.65","0.018","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0244","","0.0623","0.0618","0.0623","","","","","","1.0035","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032652","6.4307","0.0001","8.7685","0.0001","26.1929","0.0002","90","","90","","90","","1476.95","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0243","","0.0626","0.0621","0.0626","","","","","","1.004","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032653","7.43","0.0003","9.7667","0.0003","12.1277","0.0003","90","","92.279","0.003","90","","879.37","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0409","0.0378","","0.0926","0.091","0.0926","","","","","","1.0179","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032654","25.6494","0.0007","14.1949","0.0004","6.2343","0.0002","90","","90","","90","","2269.85","0.12","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 Si -","- C22 H36 O4 Si -","- C88 H144 O16 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0506","0.0448","","0.1019","0.0997","0.1019","","","","","","1.039","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032655","19.9195","0.0006","11.6626","0.0003","8.7386","0.0002","90","","90","","90","","2030.09","0.09","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0451","0.0407","","0.1007","0.0984","0.1007","","","","","","1.0325","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032656","8.9344","0.0002","15.4099","0.0003","14.9268","0.0003","90","","90","","90","","2055.1","0.07","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0461","0.0423","","0.1117","0.1097","0.1117","","","","","","1.0364","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032657","7.3238","0.0001","7.5553","0.0001","14.5389","0.0002","90","","90","","90","","804.488","0.019","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0229","0.0226","","0.0568","0.0565","0.0568","","","","","","0.9982","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032658","18.9377","0.0005","6.2442","0.0001","14.6275","0.0005","90","","105.95","0.003","90","","1663.12","0.08","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C15 H26 O3 Si -","- C15 H26 O3 Si -","- C60 H104 O12 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0344","0.0319","","0.0802","0.0787","0.0802","","","","","","0.9905","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032659","8.2335","0.00007","8.68949","0.00008","23.6396","0.0002","90","","90","","90","","1691.29","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C72 H96 O24 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0405","0.0395","","0.1123","0.1113","0.1123","","","","","","1.0111","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032660","18.3637","0.0001","14.1093","0.0001","12.0122","0.0001","90","","90","","90","","3112.35","0.04","150","","150","","","","","","","","local","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 O2 Si -","- C14 H26 O2 Si -","- C112 H208 O16 Si8 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.025","0.0248","","0.0668","0.0666","0.0668","","","","","","1.01","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032661","7.27015","0.00005","11.05109","0.00008","13.78627","0.00009","90","","90","","90","","1107.63","0.013","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0224","0.0221","","0.0572","0.057","0.0572","","","","","","1.006","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032662","7.2003","0.0002","8.4682","0.0002","9.4258","0.0003","90","","91.1279","0.0017","90","","574.61","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0509","0.0478","","0.1564","0.1524","0.1564","","","","","","1.0289","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032663","8.4949","0.0004","5.9702","0.0002","9.384","0.0004","90","","95.383","0.004","90","","473.82","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0465","0.0454","","0.1297","0.1288","0.1297","","","","","","1.0281","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032664","7.8054","0.0001","9.792","0.0001","11.058","0.0001","90","","90","","90","","845.168","0.016","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0228","0.0223","","0.0566","0.0562","0.0566","","","","","","1.0076","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032665","6.9303","0.0002","7.7696","0.0002","8.6272","0.0002","90","","92.403","0.002","90","","464.13","0.02","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0375","0.0373","","0.1167","0.1161","0.1167","","","","","","1.0436","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032666","11.1137","0.0002","36.5155","0.0008","19.991","0.0005","90","","96.49","0.001","90","","8060.8","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104 H70 Cl4 O9 -","- C104 H70 Cl4 O9 -","- C416 H280 Cl16 O36 -","4","1","","Shouda, Takaaki; Nakanishi, Kentaro; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis and Structures of Zigzag Shaped [12]Cyclo-p-phenylene Composed of Dinaphthofuran Units and Biphenyl Units.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01053","","","0.71075","MoKα","","0.1049","0.0885","","","0.2571","0.2717","","","","","","1.051","","","","has coordinates,has disorder","198900","2020-10-21","18:00:00",""
"4032667","13.9873","0.0003","18.0922","0.0005","20.9655","0.0005","79.205","0.002","72.753","0.002","76.769","0.002","4891.6","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","Expanded porphyrin","Ethynylene linked [40] Figure-eight Octaphyrin","","- C98 H62 F16 N4 O5 S4 -","- C97.5 H62 F16 N4 O5 S4 -","- C195 H124 F32 N8 O10 S8 -","2","1","","Sahoo, Krushna Chandra; Majewski, Marcin A.; Stępień, Marcin; Rath, Harapriya","Ethynylene-linked Figure-Eight Octaphyrin(1.2.1.1.1.2.1.1): Synthesis and Characterization of Its Two Oxidation States.","The Journal of organic chemistry","2017","82","15","8317","8322","10.1021/acs.joc.7b01592","","","0.71073","MoKα","","0.1106","0.0888","","","0.2321","0.2519","","","","","","1.022","","","","has coordinates","200703","2020-10-21","18:00:00",""
"4032668","34.451","0.0004","27.1978","0.0004","9.5573","0.0001","90","","90","","90","","8955.11","0.19","150","","150","","","","","","","","local","5","F d d 2","F 2 -2d","43","","","","- C24 H31 N O4 Si -","- C24 H31 N O4 Si -","- C384 H496 N16 O64 Si16 -","16","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","","1.54184","CuKα","","0.0347","0.0338","","0.0891","0.0884","0.0891","","","","","","1.0021","","","","has coordinates","199581","2020-10-21","18:00:00",""
"4032669","10.5559","0.0004","10.8496","0.0005","21.9254","0.0008","90","","90","","90","","2511.06","0.18","295.8","0.4","295.8","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br F3 N O6 -","- C22 H25 Br F3 N O6 -","- C88 H100 Br4 F12 N4 O24 -","4","1","","Dong, Zhenghao; Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of α-Trifluoromethyl Pyrrolidines through Organocatalyzed 1,3-Dipolar Cycloaddition Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02949","","","0.7107","MoKα","","0.0899","0.05","","","0.0892","0.1067","","","","","","1.055","","","","has coordinates","198978","2020-10-21","18:00:00",""
"4032670","17.1576","0.0006","12.2955","0.0006","3.8213","0.0002","90","","90","","90","","806.15","0.06","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0338","0.0323","","0.0619","0.0605","0.0619","","","","","","1","","","","has coordinates","199582","2020-10-21","18:00:00",""
"4032671","10.6363","0.0003","10.9748","0.0002","17.3845","0.0004","98.518","0.001","99.199","0.001","114.478","0.001","1770.51","0.07","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H30 Br2 N4 O3 -","- C31 H30 Br2 N4 O3 -","- C62 H60 Br4 N8 O6 -","2","1","","Hernández-Melo, Denhy; Cervantes, Ruy; Tiburcio, Jorge","Shuttling Motion in a Host-Guest Complex Triggered by Spiropyran to Merocyanine Reversible Chemical Transformation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00509","","x-ray","0.71073","MoKα","","0.0906","0.0787","","","0.2218","0.2387","","","","","","1.1","","","","has coordinates","198980","2020-10-21","18:00:00",""
"4032672","13.5637","0.0005","6.4493","0.0003","13.7872","0.0006","90","","95.412","0.001","90","","1200.68","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C54 H64 O16 -","2","1","","Huang, Zhongping; Williams, Russell B.; O'Neil-Johnson, Mark; Eldridge, Gary R.; Mangette, John E.; Starks, Courtney M.","A Total Synthesis of Bifidenone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00202","","","1.54178","CuKα","","0.0242","0.0239","","","0.0626","0.0629","","","","","","1.044","","","","has coordinates","198981","2020-10-21","18:00:00",""
"4032673","8.567","0.004","26.834","0.012","9.676","0.005","90","","100.176","0.009","90","","2189.4","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0839","0.0541","","","0.1272","0.143","","","","","","1.07","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032674","9.747","0.005","9.84","0.005","26.389","0.014","90","","98.144","0.01","90","","2505","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C124 H108 N4 O8 S4 -","4","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0839","0.0492","","","0.1166","0.1305","","","","","","1.001","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032675","10.213","0.003","10.955","0.004","11.821","0.004","97.369","0.005","108.277","0.005","92.549","0.006","1240.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C62 H54 N2 O4 S2 -","2","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0555","0.0424","","","0.1175","0.1277","","","","","","1.034","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032676","10.14845","0.00009","10.61199","0.00007","10.80864","0.0001","90","","106.88","0.0009","90","","1113.89","0.017","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0263","0.0258","","0.0669","0.0663","0.0669","","","","","","1.0262","","","","has coordinates","200705","2020-10-21","18:00:00",""
"4032677","11.4848","0.0005","11.4848","0.0005","28.4095","0.0015","90","","90","","120","","3245.2","0.3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C22 H20 Br N O6 S -","- C22 H20 Br N O6 S -","- C132 H120 Br6 N6 O36 S6 -","6","1","","Kim, Hanna; Kim, Yerin; Kim, Sung-Gon","Organocatalytic Asymmetric Mannich/Aza-Michael Cascade Reaction of δ-Formyl-α,β-unsaturated Ketones with Cyclic N-Sulfimines: Enantioselective Synthesis of Benzosulfamidate-Fused Pyrrolidines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01533","","","0.71073","MoKα","","0.0542","0.0303","","","0.0554","0.0616","","","","","","1.034","","","","has coordinates","199347","2020-10-21","18:00:00",""
"4032678","10.333","0.003","10.854","0.003","11.479","0.003","94.95","0.004","111.217","0.007","106.268","0.01","1126.5","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl N O2 S -","- C26 H24 Cl N O2 S -","- C52 H48 Cl2 N2 O4 S2 -","2","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.087","0.0706","","","0.1964","0.2174","","","","","","1.016","","","","has coordinates","199542","2020-10-21","18:00:00",""
"4032679","9.6557","0.0003","7.6318","0.0003","12.9108","0.0004","90","","95.301","0.002","90","","947.33","0.06","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl3 N O7 S -","- C15 H16 Cl3 N O7 S -","- C30 H32 Cl6 N2 O14 S2 -","2","1","","Achary, Raghavendra; Jung, In-A; Son, Se-Mi; Lee, Hyeon-Kyu","Stereoselective Synthesis of Functionalized 1,3-Disubstituted Isoindolines via Rh(III)-Catalyzed Tandem Oxidative Olefination-Cyclization of 4-Aryl-cyclic Sulfamidate-5-Carboxylates.","The Journal of organic chemistry","2017","82","14","7223","7233","10.1021/acs.joc.7b00799","","","0.71073","MoKα","","0.0379","0.0354","","","0.0949","0.0965","","","","","","1.08","","","","has coordinates","199543","2020-10-21","18:00:00",""
"4032680","9.1818","0.0009","11.7411","0.0012","16.5296","0.0014","90","","91.51","0.008","90","","1781.3","0.3","290.38","0.1","290.38","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N2 O -","- C22 H15 Cl N2 O -","- C88 H60 Cl4 N8 O4 -","4","1","","Tian, Miaomiao; Shi, Xiaonan; Zhang, Xinying; Fan, Xuesen","Synthesis of 4-Acylpyrazoles from Saturated Ketones and Hydrazones Featured with Multiple C(sp(3))-H Bond Functionalization and C-C Bond Cleavage and Reorganization.","The Journal of organic chemistry","2017","82","14","7363","7372","10.1021/acs.joc.7b01013","","x-ray","0.71073","MoKα","","0.069","0.0515","","","0.1179","0.1262","","","","","","1.02","","","","has coordinates","200698","2020-10-21","18:00:00",""
"4032681","12.607","0.008","5.662","0.004","18.667","0.014","90","","102.68","0.02","90","","1300","1.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Gao, Guo-Lin; Yang, Chao; Gao, Yuan; Xia, Wujiong","Synthesis of Oxatricyclooctanes via Photoinduced Intramolecular Oxa-[4+2] Cycloaddition of Substituted o-Divinylbenzenes.","The Journal of organic chemistry","2017","82","15","7856","7868","10.1021/acs.joc.7b01055","","","0.71073","MoKα","","0.0961","0.0608","","","0.141","0.1672","","","","","","0.94","","","","has coordinates,has disorder","199545","2020-10-21","18:00:00",""
"4032682","15.9534","0.0006","11.7721","0.0004","25.1112","0.001","90","","106.034","0.004","90","","4532.5","0.3","149","0.8","149","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N2 O8 S2 -","- C46 H44 N2 O8 S2 -","- C184 H176 N8 O32 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0697","0.049","","","0.1216","0.1343","","","","","","1.025","","","","has coordinates","199546","2020-10-21","18:00:00",""
"4032683","11.6518","0.0012","10.0242","0.001","24.692","0.003","90","","103.209","0.002","90","","2807.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H22 Cl2 N4 O Pd -","- C35 H22 Cl2 N4 O Pd -","- C140 H88 Cl8 N16 O4 Pd4 -","4","2","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0481","0.0426","","","0.1034","0.1075","","","","","","1.007","","","","has coordinates","200679","2020-10-21","18:00:00",""
"4032684","16.81","0.004","10.863","0.002","15.317","0.003","90","","90","","90","","2797","1","170","","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","","Li, Yazhou; Li, Jian; Wu, Xiaowei; Zhou, Yu; Liu, Hong","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to 3-Carboxylate Substituted N-Hydroxyindoles.","The Journal of organic chemistry","2017","82","17","8984","8994","10.1021/acs.joc.7b01393","","","0.71073","MoKα","","0.0719","0.0461","","","0.1066","0.12","","","","","","1.036","","","","has coordinates","200678","2020-10-21","18:00:00",""
"4032685","11.058","0.003","16.922","0.005","14.89","0.003","90","","100.669","0.007","90","","2738.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F2 N2 -","- C36 H24 F2 N2 -","- C144 H96 F8 N8 -","4","1","","Maddala, Sudhakar; Mallick, Sudesh; Venkatakrishnan, Parthasarathy","Metal-Free Oxidative C-C Coupling of Arylamines Using a Quinone-Based Organic Oxidant.","The Journal of organic chemistry","2017","82","17","8958","8972","10.1021/acs.joc.7b01377","","","0.71073","MoKα","","0.1413","0.0838","","","0.2772","0.3135","","","","","","1.105","","","","has coordinates","200677","2020-10-21","18:00:00",""
"4032686","7.5489","0.0003","8.9993","0.0004","9.2731","0.0004","80.686","0.002","81.816","0.002","72.884","0.002","591.12","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Sigalov, Mark V.; Shainyan, Bagrat A.; Sterkhova, Irina V.","Photoinduced Intramolecular Bifurcate Hydrogen Bond: Unusual Mutual Influence of the Components.","The Journal of organic chemistry","2017","82","17","9075","9086","10.1021/acs.joc.7b01589","","","0.71073","MoKα","","0.1075","0.0553","","","0.116","0.1351","","","","","","1.015","","","","has coordinates","200676","2020-10-21","18:00:00",""
"4032687","7.1505","0.0017","7.8314","0.0019","15.265","0.004","101.116","0.004","90.923","0.004","96.993","0.004","831.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3-(4-methoxyphenethyl)-6-methyl-2-oxopiperidine-3-carboxylate","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0524","0.0386","","","0.0878","0.095","","","","","","1.028","","","","has coordinates","202739","2020-10-21","18:00:00",""
"4032688","23.4252","0.0019","12.5805","0.0009","24.392","0.002","90","","118.202","0.003","90","","6335","0.9","150.02","","150.02","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C74 H72 B2 N12 Ni -","- C74 H72 B2 N12 Ni -","- C296 H288 B8 N48 Ni4 -","4","1","","Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle","Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands","Journal of Organometallic Chemistry","2017","845","","63","70","10.1016/j.jorganchem.2017.02.025","","","0.71073","MoKα","","0.3076","0.138","","","0.3634","0.4603","","","","","","1.162","","","","has coordinates,has disorder","200070","2020-10-21","18:00:00",""
"4032689","16.0883","0.0012","12.3222","0.0008","18.5299","0.0015","90","","109.158","0.003","90","","3470","0.4","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 B Cl N6 Ni O -","- C38 H38 B Cl N6 Ni O -","- C152 H152 B4 Cl4 N24 Ni4 O4 -","4","1","","Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle","Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands","Journal of Organometallic Chemistry","2017","845","","63","70","10.1016/j.jorganchem.2017.02.025","","","0.71073","MoKα","","0.1104","0.0548","","","0.1054","0.1313","","","","","","1.009","","","","has coordinates,has disorder","200071","2020-10-21","18:00:00",""
"4032690","7.977","0.0016","8.717","0.0017","12.2","0.002","91.69","0.03","104.13","0.03","104.66","0.03","792.1","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H12 Cl F6 N6 Ni P -","- C11 H12 Cl F6 N6 Ni P -","- C22 H24 Cl2 F12 N12 Ni2 P2 -","2","1","","Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle","Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands","Journal of Organometallic Chemistry","2017","845","","63","70","10.1016/j.jorganchem.2017.02.025","","","0.71073","Synchrotron","","0.0395","0.038","","","0.0994","0.1003","","","","","","1.093","","","","has coordinates","200072","2020-10-21","18:00:00",""
"4032691","9.7933","0.0005","9.9953","0.0005","15.9261","0.0008","99.293","0.002","91.403","0.002","109.66","0.002","1443.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H24 Cl N O2 S2 -","- C36.5 H24 Cl N O2 S2 -","- C73 H48 Cl2 N2 O4 S4 -","2","1","","Klikar, Milan; le Poul, Pascal; Růžička, Aleš; Pytela, Oldřich; Barsella, Alberto; Dorkenoo, Kokou D.; Robin-le Guen, Françoise; Bureš, Filip; Achelle, Sylvain","Dipolar NLO Chromophores Bearing Diazine Rings as π-Conjugated Linkers.","The Journal of organic chemistry","2017","82","18","9435","9451","10.1021/acs.joc.7b01442","","","0.71073","MoKα","","0.0841","0.0538","","","0.1112","0.1244","","","","","","1.051","","","","has coordinates","202736","2020-10-21","18:00:00",""
"4032692","7.715","0.002","9.543","0.002","10.884","0.003","109.664","0.004","96.7","0.004","106.526","0.004","703.1","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","","Zheng, Jian-Feng; Hu, Xiu-Ning; Xu, Zhen; Cai, Dong-Cheng; Shen, Tai-Long; Huang, Pei-Qiang","Substrate-Controlled Chemoselective Reactions of Isocyanoacetates with Amides and Lactams.","The Journal of organic chemistry","2017","82","18","9693","9703","10.1021/acs.joc.7b01768","","","0.71073","MoKα","","0.0534","0.048","","","0.1297","0.1339","","","","","","1.05","","","","has coordinates","202737","2020-10-21","18:00:00",""
"4032693","9.1014","0.0005","5.8581","0.0004","23.9958","0.0012","90","","95.595","0.005","90","","1273.29","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Li, Jiu-Ling; Hu, Da-Chao; Liang, Xin-Ping; Wang, Ying-Chun; Wang, Heng-Shan; Pan, Ying-Ming","Praseodymium(III)-Catalyzed Regioselective Synthesis of C3-N-Substituted Coumarins with Coumarins and Azides.","The Journal of organic chemistry","2017","82","17","9006","9011","10.1021/acs.joc.7b01410","","","0.71073","MoKα","","0.0946","0.0558","","","0.1188","0.1427","","","","","","1.069","","","","has coordinates","200276","2020-10-21","18:00:00",""
"4032694","25.2712","0.001","5.6984","0.0002","18.5928","0.0007","90","","129.237","0.0018","90","","2073.8","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C80 H96 N8 O40 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Ai, Yanran; Lee, Jihoon; Kishi, Yoshito","Stereocontrolled Synthesis of Left Halves of Halichondrins.","The Journal of organic chemistry","2017","82","17","8808","8830","10.1021/acs.joc.7b01284","","","1.54178","CuKα","","0.0308","0.0293","","","0.0759","0.0773","","","","","","1.046","","","","has coordinates","200277","2020-10-21","18:00:00",""
"4032695","14.3345","0.0008","21.1548","0.0012","34.813","0.002","90","","90","","90","","10556.8","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C404 H408 Cl8 F48 N32 P8 Rh8 S16 -","8","2","","Luo, Shipeng; Zhang, Xiao; Zheng, Yu; Harms, Klaus; Zhang, Lilu; Meggers, Eric","Enantioselective Alkynylation of Aromatic Aldehydes Catalyzed by a Sterically Highly Demanding Chiral-at-Rhodium Lewis Acid.","The Journal of organic chemistry","2017","82","17","8995","9005","10.1021/acs.joc.7b01394","","","0.71073","MoKα","","0.1014","0.0652","","","0.126","0.1376","","","","","","1.026","","","","has coordinates,has disorder","200278","2020-10-21","18:00:00",""
"4032696","11.0301","0.0001","17.6976","0.0003","19.2949","0.0003","90","","90","","90","","3766.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O13 -","- C41 H58 O13 -","- C164 H232 O52 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Naini, Santhosh Reddy; Yamashita, Shuji; Ai, Yanran; Kishi, Yoshito","Unified Synthesis of Right Halves of Halichondrins A-C.","The Journal of organic chemistry","2017","82","17","8792","8807","10.1021/acs.joc.7b01283","","","1.54178","CuKα","","0.0396","0.0384","","","0.1012","0.1018","","","","","","1.038","","","","has coordinates,has disorder","200279","2020-10-21","18:00:00",""
"4032697","7.4257","0.0008","7.4764","0.0008","23.433","0.002","90","","90","","90","","1300.9","0.2","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Nakazaki, Atsuo; Hashimoto, Keiko; Ikeda, Ai; Shibata, Takahiro; Nishikawa, Toshio","De Novo Synthesis of Possible Candidates for the Inagami-Tamura Endogenous Digitalis-like Factor.","The Journal of organic chemistry","2017","82","17","9097","9111","10.1021/acs.joc.7b01640","","","1.54187","CuKα","","0.0558","0.0528","","","0.1371","0.1404","","","","","","1.082","","","","has coordinates","200280","2020-10-21","18:00:00",""
"4032698","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","200281","2020-10-21","18:00:00",""
"4032699","7.26","0.003","9.935","0.004","14.865","0.006","94.186","0.012","102.936","0.011","99.694","0.012","1023.2","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H19 N -","- C31 H19 N -","- C62 H38 N2 -","2","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.1363","0.076","","","0.1853","0.2348","","","","","","0.942","","","","has coordinates","200282","2020-10-21","18:00:00",""
"4032700","9.1218","0.0014","16.221","0.003","11.9435","0.0018","90","","100.444","0.003","90","","1737.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0966","0.0704","","","0.1999","0.2197","","","","","","1.085","","","","has coordinates,has disorder","200284","2020-10-21","18:00:00",""
"4032701","16.373","0.003","17.935","0.002","18.38","0.003","90","","114.773","0.003","90","","4900.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl6 N6 O6 -","- C44 H56 Cl6 N6 O6 -","- C176 H224 Cl24 N24 O24 -","4","1","","D'Amato, Assunta; Volpe, Raffaele; Vaccaro, Maria Carmela; Terracciano, Stefania; Bruno, Ines; Tosolini, Massimo; Tedesco, Consiglia; Pierri, Giovanni; Tecilla, Paolo; Costabile, Chiara; Della Sala, Giorgio; Izzo, Irene; De Riccardis, Francesco","Cyclic Peptoids as Mycotoxin Mimics: An Exploration of Their Structural and Biological Properties.","The Journal of organic chemistry","2017","82","17","8848","8863","10.1021/acs.joc.7b00965","","","0.71073","MoKα","","0.1733","0.0888","","","0.2278","0.3026","","","","","","0.906","","","","has coordinates","200285","2020-10-21","18:00:00",""
"4032702","8.059","0.0001","9.22611","0.00012","13.21005","0.00017","90","","90","","90","","982.21","0.02","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0678","0.0685","","","","","","1.076","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032703","7.4091","0.0005","7.9981","0.0005","15.5815","0.0009","90","","90","","90","","923.34","0.1","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.041","0.0374","","","0.0981","0.1018","","","","","","1.06","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032704","7.54257","0.00009","12.11651","0.00015","10.64996","0.00013","90","","95.459","0.0012","90","","968.88","0.02","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0865","0.0872","","","","","","1.046","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032705","6.3961","0.0004","8.4683","0.0007","21.9193","0.0013","90","","90","","90","","1187.24","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.1557","0.0523","","","0.0983","0.1255","","","","","","0.826","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032706","11.0025","0.0008","6.3472","0.0005","20.4018","0.0016","90","","105.422","0.007","90","","1373.46","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.0744","0.0471","","","0.1137","0.1287","","","","","","0.956","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032707","24.3119","0.0007","24.3119","0.0007","13.9782","0.0008","90","","90","","90","","8262.1","0.6","187","2","187.65","","","","","","","","","3","I 4/m","-I 4","87","","","","- C79 H8 S2 -","- C79 H8 S2 -","- C632 H64 S16 -","8","0.5","","Yang, Wei-Wei; Li, Zong-Jun; Li, Shu-Hui; Wu, Sheng-Li; Shi, Zujin; Gao, Xiang","Reductive Activation of C70 Equatorial Carbons and Structurally Characterized C70 δ-Adduct with Closed [5,6]-Ring Fusion.","The Journal of organic chemistry","2017","82","17","9253","9257","10.1021/acs.joc.7b01756","","","0.71073","MoKα","","0.1036","0.0685","","","0.1555","0.1707","","","","","","1.1","","","","has coordinates,has disorder","200287","2020-10-21","18:00:00",""
"4032708","9.19","0.003","9.284","0.003","15.827","0.005","85.938","0.008","76.094","0.007","63.729","0.007","1174.4","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C60 H52 O10 -","2","1","","Yang, Shu-Mei; Tsai, Yi-Ling; Reddy, Ganapuram Madhusudhan; Möhlmann, Lennart; Lin, Wenwei","Chemo- and Diastereoselective Michael-Michael-Acetalization Cascade for the Synthesis of 1,3-Indandione-Fused Spiro[4.5]decan Scaffolds.","The Journal of organic chemistry","2017","82","17","9182","9190","10.1021/acs.joc.7b01415","","","0.71073","MoKα","","0.081","0.0488","","","0.1152","0.1329","","","","","","1.037","","","","has coordinates","200288","2020-10-21","18:00:00",""
"4032709","6.0771","0.0002","8.0868","0.0003","21.8099","0.0009","90","","94.06","0.007","90","","1069.14","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 Fe N O3 -","- C26 H27 Fe N O3 -","- C52 H54 Fe2 N2 O6 -","2","1","","Koizumi, Akihiro; Harada, Masato; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Chiral Silver Complex-Catalyzed Diastereoselective and Enantioselective Michael Addition of 1-Pyrroline-5-carboxylates to α-Enones.","The Journal of organic chemistry","2017","82","17","8927","8932","10.1021/acs.joc.7b01335","","","0.71075","MoKα","","0.0456","0.0421","","","0.1095","0.111","","","","","","1","","","","has coordinates","200289","2020-10-21","18:00:00",""
"4032710","13.8556","0.0015","10.2243","0.0011","21.102","0.002","90","","97","0.002","90","","2967.1","0.5","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cl2 N4 O Pt -","- C35 H22 Cl2 N4 O Pt -","- C140 H88 Cl8 N16 O4 Pt4 -","4","1","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0904","0.0444","","","0.0843","0.0982","","","","","","1.017","","","","has coordinates","200290","2020-10-21","18:00:00",""
"4032711","15.8397","0.0012","12.254","0.0009","8.6865","0.0005","90","","99.967","0.006","90","","1660.6","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0616","0.0411","","","0.087","0.1017","","","","","","1.071","","","","has coordinates","200291","2020-10-21","18:00:00",""
"4032712","17.5747","0.0007","9.0437","0.0004","22.3355","0.0011","90","","90","","90","","3550","0.3","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H14 I N O -","- C22 H14 I N O -","- C176 H112 I8 N8 O8 -","8","2","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0488","0.0331","","","0.0753","0.0857","","","","","","1.085","","","","has coordinates","200292","2020-10-21","18:00:00",""
"4032713","8.8756","0.0007","19.3954","0.0011","10.7433","0.0007","90","","94.89","0.007","90","","1842.7","0.2","171.4","","171.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0744","0.0551","","","0.1623","0.1789","","","","","","1.055","","","","has coordinates","200293","2020-10-21","18:00:00",""
"4032714","11.9098","0.0005","11.9888","0.0005","19.7512","0.0009","78.161","0.002","79.589","0.002","85.415","0.002","2712","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H42 N20 -","- C56 H42 N20 -","- C56 H42 N20 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.34139","GaKα","","0.1154","0.1044","","","0.3243","0.3368","","","","","","1.452","","","","has coordinates","200294","2020-10-21","18:00:00",""
"4032715","11.6172","0.0005","14.6794","0.0006","17.7544","0.0008","77.537","0.002","72.168","0.002","81.93","0.002","2805.3","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0966","0.0945","","","0.2211","0.2222","","","","","","1.021","","","","has coordinates,has disorder","200295","2020-10-21","18:00:00",""
"4032716","11.7748","0.0015","14.6484","0.0019","16.718","0.0022","80.848","0.006","88.264","0.006","79.23","0.006","2796.7","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0645","0.0614","","","0.2141","0.2208","","","","","","1.023","","","","has coordinates,has disorder","200296","2020-10-21","18:00:00",""
"4032717","11.9255","0.0004","11.9827","0.0004","19.5388","0.0007","80.272","0.002","77.044","0.002","85.171","0.002","2678.77","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C28 H21 N10 -","- C28 H21 N10 -","- C56 H42 N20 -","2","1","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0957","0.0864","","","0.2446","0.2523","","","","","","1.048","","","","has coordinates","200297","2020-10-21","18:00:00",""
"4032718","8.1916","0.0005","14.7394","0.001","22.3861","0.0013","98.184","0.004","90.73","0.002","101.655","0.002","2617.8","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0827","0.0815","","","0.1984","0.1992","","","","","","1.011","","","","has coordinates,has disorder","200298","2020-10-21","18:00:00",""
"4032719","7.9578","0.0003","14.6936","0.0005","24.4705","0.001","90","","97.184","0.003","90","","2838.84","0.19","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N O4 -","- C13 H14 N O4 -","- C104 H112 N8 O32 -","8","1","","Yu, Yunliang; Kuai, Changsheng; Chauvin, Remi; Tian, Nian; Ma, Shuangshuang; Cui, Xiuling","Rh-Catalyzed Regioselective ortho-C-H Carbenoid Insertion of Diarylazines.","The Journal of organic chemistry","2017","82","16","8611","8616","10.1021/acs.joc.7b01472","","x-ray","0.71073","MoKα","","0.087","0.0711","","","0.2092","0.2257","","","","","","1.074","","","","has coordinates,has disorder","200299","2020-10-21","18:00:00",""
"4032720","12.353","0.002","17.154","0.003","16.604","0.003","90","","102.32","0.002","90","","3437.4","1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Cl N3 O4 S2 -","- C28 H56 Cl N3 O4 S2 -","- C112 H224 Cl4 N12 O16 S8 -","4","2","","Li, Yao; Yang, Guo-Hui; Shen, Ye-Ye; Xue, Xiao-Song; Li, Xin; Cheng, Jin-Pei","N-tert-Butyl Sulfinyl Squaramide Receptors for Anion Recognition through Assisted tert-Butyl C-H Hydrogen Bonding.","The Journal of organic chemistry","2017","82","16","8662","8667","10.1021/acs.joc.7b01634","","","0.71073","MoKα","","0.0631","0.0591","","","0.1346","0.1375","","","","","","1.101","","","","has coordinates","200300","2020-10-21","18:00:00",""
"4032721","8.9174","0.0004","11.0306","0.0005","13.5851","0.0006","83.681","0.004","82.834","0.004","86.455","0.004","1316.23","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","2","","Kotha, Sambasivarao; Gunta, Rama","Synthesis of Intricate Fused N-Heterocycles via Ring-Rearrangement Metathesis.","The Journal of organic chemistry","2017","82","16","8527","8535","10.1021/acs.joc.7b01299","","","0.71073","MoKα","","0.0781","0.0546","","","0.1226","0.1409","","","","","","1.05","","","","has coordinates","200301","2020-10-21","18:00:00",""
"4032722","20.989","0.0005","21.5927","0.0006","23.4837","0.0005","90","","90","","90","","10643","0.5","100.05","0.1","100.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H59 F12 N3 O14 P2 -","- C47 H53 F12 N3 O13 P2 -","- C376 H424 F96 N24 O104 P16 -","8","1","","Pederson, Adam M.-P.; Price, Jr, Terry L; Slebodnick, Carla; Schoonover, Daniel V.; Gibson, Harry W.","The Long and the Short of It: Regiospecific Syntheses of Isomers of Dicarbomethoxydibenzo-27-crown-9 and Binding Abilities of Their Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","16","8489","8496","10.1021/acs.joc.7b01242","","x-ray","0.71073","MoKα","","0.1744","0.1245","","","0.3188","0.3567","","","","","","1.212","","","","has coordinates,has disorder","200302","2020-10-21","18:00:00",""
"4032723","18.0919","0.001","7.0413","0.0003","13.4921","0.0009","90","","111.573","0.007","90","","1598.37","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-bromophenyl)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxylate","","- C18 H13 Br N2 O4 -","- C18 H13 Br N2 O4 -","- C72 H52 Br4 N8 O16 -","4","1","","Galenko, Ekaterina E.; Bodunov, Vladimir A.; Galenko, Alexey V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 4-Vinylisoxazoles into Pyrroles.","The Journal of organic chemistry","2017","82","16","8568","8579","10.1021/acs.joc.7b01351","","","0.71073","MoKα","","0.0389","0.03","","","0.0655","0.0693","","","","","","1.044","","","","has coordinates","200303","2020-10-21","18:00:00",""
"4032724","10.5193","0.0007","14.9054","0.001","17.3335","0.0011","72.95","0.005","89.888","0.006","80.191","0.006","2557","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H29 F12 N5 Ni -","- C55 H29 F12 N5 Ni -","- C110 H58 F24 N10 Ni2 -","2","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","1.54187","CuKα","","0.1384","0.0904","","","0.218","0.2412","","","","","","1.036","","","","has coordinates,has disorder","200304","2020-10-21","18:00:00",""
"4032725","29.698","0.019","16.005","0.01","22.173","0.014","90","","107.336","0.007","90","","10060","11","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H28 Ag F12 N5 -","- C55 H28 Ag F12 N5 -","- C440 H224 Ag8 F96 N40 -","8","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","0.71075","MoKα","","0.1276","0.0863","","","0.1852","0.2131","","","","","","1.074","","","","has coordinates,has disorder","200305","2020-10-21","18:00:00",""
"4032726","16.9866","0.0013","7.995","0.0006","11.8016","0.0009","90","","90","","90","","1602.8","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H9 N2 O2 -","- C8 H9 N2 O2 -","- C64 H72 N16 O16 -","8","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0346","0.0326","","","0.0894","0.091","","","","","","1.058","","","","has coordinates","200306","2020-10-21","18:00:00",""
"4032727","8.6855","0.0006","9.5744","0.0007","11.5557","0.0008","72.188","0.002","79.727","0.002","77.247","0.002","885.94","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C36 H36 N8 O12 -","2","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0351","0.0331","","","0.0939","0.0959","","","","","","1.081","","","","has coordinates","200307","2020-10-21","18:00:00",""
"4032728","8.0603","0.0011","18.448","0.003","10.7581","0.0015","90","","95.777","0.002","90","","1591.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Kinthada, Lakshmana K.; Medisetty, Sai Raghavendra; Parida, Amarchand; Babu, K. Naresh; Bisai, Alakesh","FeCl3-Catalyzed Allylation Reactions onto 3-Hydroxy-2-oxindoles: Formal Total Syntheses of Bis-cyclotryptamine Alkaloids, (±)-Chimonanthine, and (±)-Folicanthine.","The Journal of organic chemistry","2017","82","16","8548","8567","10.1021/acs.joc.7b01232","","","0.71073","MoKα","","0.0776","0.0531","","","0.1485","0.1661","","","","","","1.028","","","","has coordinates","200308","2020-10-21","18:00:00",""
"4032729","7.2895","0.0006","9.234","0.0008","11.6572","0.001","100.23","0.0011","102.319","0.0011","96.3662","0.0012","745.32","0.11","90","2","90","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","1","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.0379","0.0374","","","0.1012","0.1018","","","","","","1.08","","","","has coordinates","200309","2020-10-21","18:00:00",""
"4032730","8.282","0.006","9.706","0.009","10.928","0.007","113.515","0.011","93.064","0.001","114.23","0.03","709.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0491","0.0451","","","0.1225","0.1264","","","","","","1.118","","","","has coordinates","200310","2020-10-21","18:00:00",""
"4032731","13.109","0.003","10.35","0.002","16.408","0.003","90","","94.59","0.03","90","","2219.1","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N2 O6 -","- C52 H60 N2 O6 -","- C104 H120 N4 O12 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.056","0.0505","","","0.1374","0.1412","","","","","","1.044","","","","has coordinates","200311","2020-10-21","18:00:00",""
"4032732","9.538","0.004","10.565","0.004","11.508","0.005","106.644","0.005","98.183","0.004","103.348","0.005","1053.7","0.8","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N O P S -","- C25 H20 N O P S -","- C50 H40 N2 O2 P2 S2 -","2","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0558","0.0507","","","0.1121","0.1152","","","","","","1.164","","","","has coordinates","200312","2020-10-21","18:00:00",""
"4032733","16.045","0.0019","14.1739","0.0016","8.0985","0.0009","90","","96.802","0.009","90","","1828.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 O4 -","- C21 H16 F2 O4 -","- C84 H64 F8 O16 -","4","1","","Zhang, Yan; Ye, Shangyi; Ji, Mingming; Li, Lisha; Guo, Dongmei; Zhu, Gangguo","Copper-Catalyzed Radical Cascade Difluoromethylation/Cyclization of 2-(3-Arylpropioloyl)benzaldehydes: A Route to Difluoromethylated Naphthoquinones.","The Journal of organic chemistry","2017","82","13","6811","6818","10.1021/acs.joc.7b00964","","","0.71073","MoKα","","0.1897","0.0754","","","0.1748","0.2371","","","","","","1.068","","","","has coordinates","200313","2020-10-21","18:00:00",""
"4032734","8.0848","0.0001","13.4851","0.0001","14.869","0.0002","90","","103.63","0.001","90","","1575.43","0.03","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H31 B N O P -","- C11 H31 B N O P -","- C44 H124 B4 N4 O4 P4 -","4","2","","Salomó, Ernest; Prades, Amparo; Riera, Antoni; Verdaguer, Xavier","Dialkylammonium tert-Butylmethylphosphinites: Stable Intermediates for the Synthesis of P-Stereogenic Ligands.","The Journal of organic chemistry","2017","82","13","7065","7069","10.1021/acs.joc.7b01180","","","0.7107","MoKα","","0.0381","0.0298","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4032735","19.8444","0.0009","8.1601","0.0004","15.9017","0.0008","90","","109.063","0.003","90","","2433.8","0.2","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-azainzole zinc acetate dimer","","- C22 H24 N4 O8 Zn2 -","- C22 H24 N4 O8 Zn2 -","- C88 H96 N16 O32 Zn8 -","4","0.5","","Ayothiraman, Rajaram; Rangaswamy, Sundaramurthy; Maity, Prantik; Simmons, Eric M.; Beutner, Gregory L.; Janey, Jacob; Treitler, Daniel S.; Eastgate, Martin D.; Vaidyanathan, Rajappa","Zinc Acetate-Promoted Buchwald-Hartwig Couplings of Heteroaromatic Amines.","The Journal of organic chemistry","2017","82","14","7420","7427","10.1021/acs.joc.7b01101","","","0.71073","MoKα","","0.0472","0.0369","","","0.0969","0.1018","","","","","","1.112","","","","has coordinates","200315","2020-10-21","18:00:00",""
"4032736","11.2475","0.0008","11.963","0.0009","23.4408","0.0017","90","","90","","90","","3154","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O8 -","- C34 H33 Cl N2 O8 -","- C136 H132 Cl4 N8 O32 -","4","1","","Feng, Junjun; Li, Xin","Enantioselective Vinylogous Michael-Michael Cascade Reactions of 3-Alkylidene Oxindoles and Nitroolefin Enoates.","The Journal of organic chemistry","2017","82","14","7317","7323","10.1021/acs.joc.7b00938","","","0.71073","MoKα","","0.0286","0.0257","","","0.0661","0.0673","","","","","","1.048","","","","has coordinates","200316","2020-10-21","18:00:00",""
"4032737","32.034","0.0017","12.9944","0.0008","20.1345","0.0011","90","","124.023","0.001","90","","6946.5","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H66 Cl2 N8 O4 -","- C89 H66 Cl2 N8 O4 -","- C356 H264 Cl8 N32 O16 -","4","0.5","","Kavala, Veerababurao; Yang, Zonghan; Konala, Ashok; Huang, Chia-Yu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Benzopyridoindolone Derivatives via a One-Pot Copper Catalyzed Tandem Reaction of 2-Iodobenzamide Derivatives and 2-Iodobenzylcyanides.","The Journal of organic chemistry","2017","82","14","7280","7286","10.1021/acs.joc.7b00862","","","0.71073","MoKα","","0.0681","0.0526","","","0.1482","0.1639","","","","","","1.04","","","","has coordinates","200317","2020-10-21","18:00:00",""
"4032738","8.3866","0.001","11.7585","0.0013","13.8846","0.0016","65.243","0.004","78.191","0.005","74.835","0.005","1193","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 Cl3 N2 -","- C23 H29 Cl3 N2 -","- C46 H58 Cl6 N4 -","2","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.09","0.053","","","0.1245","0.1413","","","","","","1.055","","","","has coordinates","200318","2020-10-21","18:00:00",""
"4032739","10.7863","0.0003","11.9749","0.0003","15.8854","0.0004","90","","90","","90","","2051.84","0.09","103.2","","103.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O5 -","- C20 H21 Br N2 O5 -","- C80 H84 Br4 N8 O20 -","4","1","","Ma, Hongli; Xie, Lei; Zhang, Zhenhua; Wu, Lin-Gang; Fu, Bin; Qin, Zhaohai","Enantioselective Conjugate Addition of 2-Acetyl Azaarenes to β,β-Disubstituted Nitroalkene for the Construction of All-Carbon Quaternary Stereocenters.","The Journal of organic chemistry","2017","82","14","7353","7362","10.1021/acs.joc.7b01014","","","1.5418","CuKα","","0.0323","0.0317","","","0.0809","0.0813","","","","","","1.119","","","","has coordinates","200319","2020-10-21","18:00:00",""
"4032740","11.851","0.002","6.5036","0.0013","17.863","0.004","90","","108.35","0.03","90","","1306.8","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hou, Ling-Li; Shi, Yong; Zhang, Zhi-Dan; Wu, Jing-Jing; Yang, Qing-Xiong; Tian, Wei-Sheng","Divergent Synthesis of Solanidine and 22-epi-Solanidine.","The Journal of organic chemistry","2017","82","14","7463","7469","10.1021/acs.joc.7b01133","","","1.54178","CuKα","","0.0424","0.0421","","","0.1137","0.1143","","","","","","1.025","","","","has coordinates","200320","2020-10-21","18:00:00",""
"4032741","7.9933","0.0007","8.6795","0.0007","13.2531","0.0011","78.2587","0.0013","78.0645","0.0013","67.9603","0.0012","825.78","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C48 H28 O8 -","2","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0506","0.0428","","","0.113","0.1186","","","","","","1.045","","","","has coordinates","200321","2020-10-21","18:00:00",""
"4032742","16.2777","0.0009","8.0337","0.0005","19.5542","0.0011","90","","92.8884","0.0011","90","","2553.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 O5 -","- C36 H22 O5 -","- C144 H88 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0682","0.045","","","0.1056","0.1188","","","","","","1.026","","","","has coordinates","200322","2020-10-21","18:00:00",""
"4032743","10.5106","0.0002","4.968","0.0001","44.4015","0.0009","90","","91.325","0.001","90","","2317.88","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1571","","","- C29 H29 N O5 -","- C29 H29 N O5 -","- C116 H116 N4 O20 -","4","1","","Huber, Tatjana; Preuhs, Teresa A.; Gerlinger, Christa K. G.; Magauer, Thomas","Development of a β-C-H Bromination Approach toward the Synthesis of Jerantinine E.","The Journal of organic chemistry","2017","82","14","7410","7419","10.1021/acs.joc.7b01095","","","0.71073","MoKα","","0.0482","0.0395","","","0.0902","0.0946","","","","","","1.038","","","","has coordinates","200323","2020-10-21","18:00:00",""
"4032744","6.6887","0.0005","9.605","0.0007","10.7854","0.0008","99.406","0.003","90.418","0.003","93.521","0.003","682.2","0.09","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Chiou, Wen-Hua; Chen, Po-Chou","Synthesis of (±)-Aphanorphine Using Rh-Catalyzed Cyclohydrocarbonylation.","The Journal of organic chemistry","2017","82","15","8213","8219","10.1021/acs.joc.7b00923","","x-ray","0.71073","MoKα","","0.0639","0.0496","","","0.1407","0.1582","","","","","","1.001","","","","has coordinates","200324","2020-10-21","18:00:00",""
"4032745","16.6953","0.0002","9.71833","0.00014","24.2042","0.0004","90","","107.522","0.0015","90","","3744.93","0.1","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H98 Cu2 F12 N8 O P2 -","- C68 H98 Cu2 F12 N8 O P2 -","- C136 H196 Cu4 F24 N16 O2 P4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0463","0.0404","","","0.1024","0.1084","","","","","","1.028","","","","has coordinates,has disorder","200325","2020-10-21","18:00:00",""
"4032746","7.571","0.002","18.848","0.006","12.151","0.004","90","","108.266","0.006","90","","1646.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N3 O -","- C20 H16 F N3 O -","- C80 H64 F4 N12 O4 -","4","1","","Yu, Yulan; Cai, Zhiqiang; Yuan, Weiwen; Liu, Ping; Sun, Peipei","Radical Addition/Insertion/Cyclization Cascade Reaction To Assemble Phenanthridines from N-Arylacrylamide Using Cyano as a Bridge under Photoredox Catalysis.","The Journal of organic chemistry","2017","82","15","8148","8156","10.1021/acs.joc.7b01447","","","0.71073","MoKα","","0.1156","0.0585","","","0.1414","0.1719","","","","","","1.037","","","","has coordinates","200326","2020-10-21","18:00:00",""
"4032747","20.918","0.002","6.0208","0.0006","25.025","0.002","90","","111.139","0.01","90","","2939.6","0.5","290","0.4","290","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O6 S2 -","- C31 H32 N2 O6 S2 -","- C124 H128 N8 O24 S8 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.7107","MoKα","","0.1187","0.0598","","","0.1127","0.1476","","","","","","1.056","","","","has coordinates","200327","2020-10-21","18:00:00",""
"4032748","10.8586","0.00017","22.1145","0.0004","22.6189","0.0003","93.071","0.0011","90.2646","0.0011","93.6436","0.0013","5412.59","0.15","100.1","0.4","100.1","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C45 H54 Cl3 F6 N3 O19 S2 -","- C45 H54 Cl3 F6 N3 O19 S2 -","- C180 H216 Cl12 F24 N12 O76 S8 -","4","2","","Price, Jr, Terry L; Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W.","High-Yielding Syntheses of Crown Ether-Based Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","15","8117","8122","10.1021/acs.joc.7b01389","","x-ray","1.54184","CuKα","","0.0587","0.0488","","","0.129","0.1395","","","","","","1.043","","","","has coordinates","200328","2020-10-21","18:00:00",""
"4032749","16.89","0.003","8.0184","0.0016","11.924","0.002","90","","94.97","0.03","90","","1608.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Huang, Jiuzhong; Zheng, Jia; Wu, Wanqing; Li, Jianxiao; Ma, Zhiqiang; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Intermolecular Oxidative Cyclization of Allyltosylamides with AcOH: Assembly of 3-Pyrrolin-2-ones.","The Journal of organic chemistry","2017","82","15","8191","8198","10.1021/acs.joc.7b00804","","","0.71073","MoKα","","0.1192","0.0586","","","0.1247","0.1507","","","","","","1.006","","","","has coordinates","200329","2020-10-21","18:00:00",""
"4032750","8.9017","0.0017","10.527","0.002","17.992","0.004","90","","90.408","0.008","90","","1686","0.6","173","","173","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 F28 -","- C42 F28 -","- C84 F56 -","2","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.045","","","","0.0979","","","","","","0.847","","","","has coordinates","200330","2020-10-21","18:00:00",""
"4032751","8.2318","0.0004","10.7603","0.0009","13.738","0.0007","90","","90.712","0.005","90","","1216.77","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 N4 -","- C15 H8 N4 -","- C60 H32 N16 -","4","1","","Zhu, Xinju; Shen, Xiao-Jing; Tian, Zi-Yao; Lu, Shuai; Tian, Lu-Lu; Liu, Wen-Bo; Song, Bing; Hao, Xin-Qi","Rhodium-Catalyzed Direct Bis-cyanation of Arylimidazo[1,2-α]pyridine via Double C-H Activation.","The Journal of organic chemistry","2017","82","12","6022","6031","10.1021/acs.joc.6b03036","","x-ray","1.54184","CuKα","","0.07","0.0552","","","0.1701","0.1919","","","","","","1.069","","","","has coordinates","200331","2020-10-21","18:00:00",""
"4032752","8.6541","0.0002","10.3345","0.0002","14.6137","0.0004","90","","96.5887","0.0018","90","","1298.36","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","1","0.5","","Ren, Ji-Wei; Wang, Jing; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","L-Pyroglutamic Sulphonamide as Hydrogen-Bonding Organocatalyst: Enantioselective Diels-Alder Cyclization to Construct Carbazolespirooxindoles.","The Journal of organic chemistry","2017","82","12","6441","6449","10.1021/acs.joc.7b00733","","","0.71073","MoKα","","0.0415","0.0368","","","0.0982","0.1004","","","","","","1.056","","","","has coordinates","200332","2020-10-21","18:00:00",""
"4032753","13.0387","0.0006","5.8212","0.0003","22.0905","0.0012","90","","92.372","0.002","90","","1675.25","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H9 F9 O S -","- C17 H9 F9 O S -","- C68 H36 F36 O4 S4 -","4","1","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.0521","0.0382","","","0.0881","0.096","","","","","","1.029","","","","has coordinates","200333","2020-10-21","18:00:00",""
"4032754","20.0478","0.0004","7.17097","0.00013","21.1937","0.0004","90","","90","","90","","3046.85","0.1","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","1.54184","CuKα","","0.0563","0.0452","","","0.1167","0.1411","","","","","","1.176","","","","has coordinates","200334","2020-10-21","18:00:00",""
"4032755","5.158","0.004","9.565","0.007","16.058","0.011","87.872","0.011","87.558","0.011","83.708","0.012","786.3","1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14.88 H14.76 F3 N2 O3 -","- C14.879 H14.748 F3 N2 O3 -","- C29.758 H29.496 F6 N4 O6 -","2","1","","Chen, Chun-Hua; Liu, Qing-Qing; Ma, Xiao-Pan; Feng, Yu; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper-Catalyzed Selective N-Vinylation of 3-(Hydroxyimino)indolin-2-ones with Alkenyl Boronic Acids: Synthesis of N-Vinyl Nitrones and Spirooxindoles.","The Journal of organic chemistry","2017","82","12","6417","6425","10.1021/acs.joc.7b00620","","","0.71073","MoKα","","0.0976","0.086","","","0.2952","0.3103","","","","","","1.358","","","","has coordinates","200335","2020-10-21","18:00:00",""
"4032756","14.7624","0.0014","7.2144","0.0008","20.8003","0.0019","90","","109.48","0.006","90","","2088.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N O -","- C11 H21 N O -","- C88 H168 N8 O8 -","8","2","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0926","0.0514","","","0.1051","0.1256","","","","","","1.019","","","","has coordinates","200336","2020-10-21","18:00:00",""
"4032757","12.0615","0.0005","13.9829","0.0005","11.3318","0.0005","90","","111.927","0.005","90","","1772.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N2 S -","- C24 H14 N2 S -","- C96 H56 N8 S4 -","4","1","","Hua, Ying-Xi; Shao, Yongliang; Wang, Ya-Wen; Peng, Yu","A Series of Fluorescent and Colorimetric Chemodosimeters for Selective Recognition of Cyanide Based on the FRET Mechanism.","The Journal of organic chemistry","2017","82","12","6259","6267","10.1021/acs.joc.7b00850","","","0.71073","MoKα","","0.065","0.0451","","","0.0943","0.1058","","","","","","1.051","","","","has coordinates","200337","2020-10-21","18:00:00",""
"4032758","12.5496","0.0018","13.4577","0.0015","16.944","0.002","105.216","0.011","95.918","0.012","106.899","0.012","2591.7","0.6","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H15 F3 N2 O -","- C22 H15 F3 N2 O -","- C132 H90 F18 N12 O6 -","6","3","","Alonso, Concepción; González, María; Palacios, Francisco; Rubiales, Gloria","Study of the Hetero-[4+2]-Cycloaddition Reaction of Aldimines and Alkynes. Synthesis of 1,5-Naphthyridine and Isoindolone Derivatives.","The Journal of organic chemistry","2017","82","12","6379","6387","10.1021/acs.joc.7b00977","","x-ray","1.54184","CuKα","","0.1563","0.0987","","","0.2681","0.3081","","","","","","0.991","","","","has coordinates,has disorder","200338","2020-10-21","18:00:00",""
"4032759","5.7218","0.0008","5.9498","0.0008","42.706","0.006","90","","90","","90","","1453.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael-Hemiacetalization Reaction Between 2-Hydroxyacetophenones and Enals: A Route to Chiral β,γ-Disubstituted γ-Butyrolactones.","The Journal of organic chemistry","2017","82","12","6409","6416","10.1021/acs.joc.7b00363","","","0.71073","MoKα","","0.0494","0.0316","","","0.0762","0.0973","","","","","","1.067","","","","has coordinates","200339","2020-10-21","18:00:00",""
"4032760","5.943","0.0002","14.5054","0.0006","25.4785","0.0011","90","","90","","90","","2196.39","0.15","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N6 -","- C26 H30 N6 -","- C104 H120 N24 -","4","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.1382","0.0836","","","0.1263","0.1445","","","","","","1.13","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032761","18.3256","0.0002","10.8929","0.0001","21.4142","0.0003","90","","90","","90","","4274.68","0.09","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 -","- C22 H26 N6 -","- C176 H208 N48 -","8","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.0596","0.047","","","0.1071","0.1139","","","","","","1.101","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032762","15.9473","0.0015","33.829","0.004","6.8715","0.0009","90","","90","","90","","3707","0.7","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C168 H184 N24 O8 -","4","0.5","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.2107","0.1051","","","0.1767","0.2152","","","","","","1.134","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032763","7.4869","0.0006","5.5397","0.0005","22.6003","0.0018","90","","90.853","0.001","90","","937.25","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0499","0.0465","","","0.1263","0.1302","","","","","","1.058","","","","has coordinates,has disorder","204821","2020-10-21","18:00:00",""
"4032764","13.22","0.012","14.636","0.012","14.987","0.014","90","","91.27","0.03","90","","2899","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18-dimethyl- 21-carbaporphyrin","","- C35 H39 N3 O4 -","- C35 H39 N3 O4 -","- C140 H156 N12 O16 -","4","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0925","0.0624","","","0.1506","0.1633","","","","","","1.137","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032765","9.289","0.0011","11.9696","0.0013","14.6981","0.0014","98.622","0.004","98.649","0.005","98.902","0.007","1570.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)palladium(II)","","- C36 H39 N3 O4 Pd -","- C36 H39 N3 O4 Pd -","- C72 H78 N6 O8 Pd2 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0497","0.0323","","","0.0603","0.0651","","","","","","1.031","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032766","9.3067","0.0004","14.4582","0.0006","23.3519","0.0009","91.141","0.003","90.468","0.003","94.066","0.003","3133.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)nickel(II)","","- C36 H39 N3 Ni O4 -","- C36 H39 N3 Ni O4 -","- C144 H156 N12 Ni4 O16 -","4","2","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0804","0.0382","","","0.0828","0.0925","","","","","","0.883","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032767","12.093","0.002","12.1052","0.0019","12.739","0.002","66.264","0.007","71.517","0.008","61.662","0.007","1484","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8,12,13,17-tetraethyl-2,2-di(methoxycarbonyl)-7,18-dimethyl- 2,3-dihydro-21-carbaporphyrin","","- C35 H41 N3 O4 -","- C35 H41 N3 O4 -","- C70 H82 N6 O8 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.1258","0.0715","","","0.1872","0.2245","","","","","","1.017","","","","has coordinates,has disorder","202740","2020-10-21","18:00:00",""
"4032768","18.2454","0.0008","7.4219","0.0003","18.7073","0.0007","90","","114.262","0.002","90","","2309.51","0.17","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 O6 -","- C56 H72 O6 -","- C112 H144 O12 -","2","0.5","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.087","0.0545","","","0.1305","0.1478","","","","","","1.025","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032769","9.2936","0.0004","10.1589","0.0004","17.9869","0.0007","85.729","0.001","79.759","0.002","70.5","0.002","1575.07","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 O4 -","- C37 H48 O4 -","- C74 H96 O8 -","2","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","","1.54178","CuKα","","0.0428","0.0366","","","0.0945","0.0992","","","","","","1.032","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032770","16.1982","0.0005","8.0127","0.0003","19.7384","0.0007","90","","96.427","0.003","90","","2545.77","0.15","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.0855","0.0589","","","0.133","0.1471","","","","","","1.016","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032771","13.1127","0.0002","21.3124","0.0003","8.87124","0.0001","90","","101.344","","90","","2430.75","0.06","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 I N O5 S2 -","- C19 H18 F6 I N O5 S2 -","- C76 H72 F24 I4 N4 O20 S8 -","4","1","","Das, Prajwalita; Shibata, Norio","Electrophilic Triflyl-arylation and Triflyl-pyridylation by Unsymmetrical Aryl/Pyridyl-λ3-iodonium Salts: Synthesis of Aryl and Pyridyl Triflones.","The Journal of organic chemistry","2017","82","22","11915","11924","10.1021/acs.joc.7b01690","","","0.71075","MoKα","","","0.0358","","","","0.1385","","","","","","1.243","","","","has coordinates","204824","2020-10-21","18:00:00",""
"4032772","28.2486","0.0005","9.3345","0.0002","35.1839","0.0009","90","","103.793","0.0009","90","","9010","0.3","100","0.5","100","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C53 H33 B Cl6 F2 N2 -","- C53 H33 B Cl6 F2 N2 -","- C424 H264 B8 Cl48 F16 N16 -","8","1","","Zhao, Ning; Xuan, Sunting; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic and Cellular Properties of Near-IR [a]Phenanthrene-Fused 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes.","The Journal of organic chemistry","2017","82","18","9744","9750","10.1021/acs.joc.7b01940","","","0.71073","MoKα","","0.1056","0.0549","","","0.1227","0.1435","","","","","","1.018","","","","has coordinates","202738","2020-10-21","18:00:00",""
"4032773","6.61954","0.00008","13.75433","0.00017","16.9835","0.0002","90","","90","","90","","1546.3","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Thomson, James E.","Structural Revision of the Hancock Alkaloid (-)-Galipeine.","The Journal of organic chemistry","2017","82","19","10673","10679","10.1021/acs.joc.7b01720","","","1.54184","CuKα","","0.0308","0.0305","","0.0781","0.0777","0.0781","","","","","","1.0246","","","","has coordinates","202699","2020-10-21","18:00:00",""
"4032774","13.946","0.002","9.9498","0.0009","14.897","0.002","90","","97.21","0.02","90","","2050.8","0.5","295.15","0.1","295.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 I2 O4 -","- C22 H18 I2 O4 -","- C88 H72 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0705","0.0504","","","0.1115","0.1323","","","","","","1.041","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032775","14.4274","0.0007","13.887","0.0006","16.6402","0.0009","90","","109.066","0.006","90","","3151","0.3","296","0.3","296","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Br2 I2 O4 -","- C34 H24 Br2 I2 O4 -","- C136 H96 Br8 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.71073","MoKα","","0.1234","0.0631","","","0.1342","0.1743","","","","","","1.028","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032776","13.6316","0.0005","11.6665","0.0005","14.3791","0.0007","90","","104.063","0.004","90","","2218.22","0.17","290.58","0.1","290.58","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 I2 O4 -","- C24 H22 I2 O4 -","- C96 H88 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0614","0.0471","","","0.1103","0.1227","","","","","","1.065","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032777","15.8653","0.0004","9.9024","0.0003","16.176","0.0006","90","","105.381","0.003","90","","2450.3","0.14","239","4","239","4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 I2 O4 -","- C26 H26 I2 O4 -","- C104 H104 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.058","0.0424","","","0.0898","0.1026","","","","","","1.043","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032778","10.2367","0.0004","10.4404","0.0004","21.1129","0.0007","90","","90","","90","","2256.45","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C104 H96 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0259","0.0249","","","0.0612","0.0618","","","","","","1.067","","","","has coordinates","202688","2020-10-21","18:00:00",""
"4032779","8.9326","0.0002","13.1164","0.0003","14.6638","0.0004","90","0","93.0302","0.0012","90","0","1715.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","2","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0342","0.0308","","","0.0699","0.0724","","","","","","1.1","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032780","9.0437","0.0002","13.1451","0.0003","15.6669","0.0004","90","","90","","90","","1862.49","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F3 N2 O6 -","- C18 H19 F3 N2 O6 -","- C72 H76 F12 N8 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0299","0.0278","","","0.064","0.0656","","","","","","0.958","","","","has coordinates,has disorder","202688","2020-10-21","18:00:00",""
"4032781","7.5159","0.0002","8.9376","0.0003","12.5585","0.0004","97.164","0.001","94.788","0.001","92.485","0.002","832.87","0.04","120","","120","","","","","","","","","4","P -1","-P 1","2","","Ethyl (±)-2-(((2R*,6R*)-4,4-dimethyl-2-oxido-6-phenyl -1,3,2-dioxaphosphinan-2-yl)oxy)-acrylate","","- C16 H21 O6 P -","- C16 H21 O6 P -","- C32 H42 O12 P2 -","2","1","","Malová Križková, Petra; Prechelmacher, Susanne; Roller, Alexander; Hammerschmidt, Friedrich","Chemical Synthesis of (RP)- and (SP)-[(16)O,(17)O,(18)O]Phosphoenol Pyruvate.","The Journal of organic chemistry","2017","82","19","10310","10318","10.1021/acs.joc.7b01783","","","0.71073","MoKα","","0.0407","0.0345","","","0.0852","0.0893","","","","","","1.04","","","","has coordinates","202690","2020-10-21","18:00:00",""
"4032782","9.2074","0.0017","11.5642","0.0005","9.5785","0.0018","90","","118.017","0.011","90","","900.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C34 H52 O12 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh G.; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized β-Lactones by NHC-Catalyzed Aldol Lactonization of Ketoacids.","The Journal of organic chemistry","2017","82","17","9223","9228","10.1021/acs.joc.7b01526","","","1.54184","CuKα","","0.0226","0.0226","","","0.0652","0.0653","","","","","","1.019","","","","has coordinates","200453","2020-10-21","18:00:00",""
"4032783","6.8762","0.0004","14.6452","0.0008","15.4808","0.0009","90","","101.713","0.004","90","","1526.51","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Sarkar, Debayan; Rout, Nilendri; Ghosh, Manoj Kumar; Giri, Santanab; Neue, Kornelius; Reuter, Hans","Atom-Economical Palladium Carbon-Catalyzed de Novo Synthesis of Trisubstituted Nicotinonitriles.","The Journal of organic chemistry","2017","82","17","9012","9022","10.1021/acs.joc.7b01332","","","0.71073","MoKα","","0.0786","0.0502","","","0.1199","0.1361","","","","","","1.04","","","","has coordinates","200454","2020-10-21","18:00:00",""
"4032784","21.142","0.002","4.242","0.0004","10.6198","0.001","90","","90","","90","","952.43","0.16","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0333","0.0324","","","0.0788","0.0793","","","","","","1.171","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032785","9.1992","0.0008","4.6213","0.0003","25.2188","0.0018","90","","93.384","0.004","90","","1070.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O3 -","- C11 H9 N3 O3 -","- C44 H36 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0694","0.0646","","","0.1787","0.1831","","","","","","1.083","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032786","8.9557","0.0003","26.4849","0.001","4.792","0.0002","90","","90","","90","","1136.62","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0496","0.0445","","","0.109","0.1114","","","","","","1.073","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032787","4.8424","0.0002","9.2176","0.0004","27.531","0.0011","90","","90","","90","","1228.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F3 N3 O3 -","- C12 H8 F3 N3 O3 -","- C48 H32 F12 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0333","","","0.0739","0.0767","","","","","","1.069","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032788","6.9102","0.0002","7.5569","0.0003","21.8746","0.0007","95.895","0.002","96.939","0.002","94.396","0.002","1123.32","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0732","0.0573","","","0.1511","0.1612","","","","","","1.078","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032789","7.693","0.0002","6.6662","0.0002","7.3655","0.0002","90","","101.9","0.0012","90","","369.608","0.018","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","0.5","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0232","0.0232","","","0.0606","0.0606","","","","","","1.129","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032790","11.0134","0.0006","9.5835","0.0005","19.539","0.001","90","","90","","90","","2062.28","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0446","0.0346","","","0.0827","0.0891","","","","","","1.045","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032791","17.164","0.0007","4.9032","0.0002","11.0678","0.0004","90","","90","","90","","931.45","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0346","0.0335","","","0.0868","0.0879","","","","","","1.059","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032792","10.0313","0.001","3.8374","0.0004","25.196","0.002","90","","96.953","0.006","90","","962.76","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0491","0.0436","","","0.118","0.1222","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032793","3.7941","0.0002","13.5676","0.001","18.5776","0.0013","90","","90.69","0.004","90","","956.25","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0417","0.0352","","","0.0907","0.094","","","","","","1.061","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032794","11.9915","0.0003","14.3694","0.0004","11.2447","0.0003","90","","102.04","0.0011","90","","1894.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C80 H48 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0464","0.0354","","","0.0769","0.0828","","","","","","1.089","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032795","3.79733","0.00006","11.3573","0.0002","26.8872","0.0004","90","","91.2826","0.001","90","","1159.28","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0329","","","0.0796","0.084","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032796","13.7446","0.0009","10.6979","0.0007","16.3339","0.0011","90","","110.418","0.001","90","","2250.8","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H9 N3 O4 S -","- C10 H9 N3 O4 S -","- C80 H72 N24 O32 S8 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0741","0.049","","","0.1272","0.1458","","","","","","1.047","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032797","17.4187","0.0005","4.9357","0.0001","20.9705","0.0006","90","","90","","90","","1802.91","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C64 H40 N40 O32 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0324","0.028","","","0.069","0.0742","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032798","18.6126","0.0008","26.1321","0.0012","8.1858","0.0004","90","","90","","90","","3981.5","0.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C128 H80 N80 O64 -","16","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0388","0.0373","","","0.0983","0.1002","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032799","3.82","0.0003","13.4306","0.0011","17.8756","0.0014","90","","91.917","0.003","90","","916.59","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C36 H20 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0687","0.0522","","","0.1265","0.1441","","","","","","1.192","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032800","6.9695","0.0002","11.9143","0.0003","22.1069","0.0006","90","","90","","90","","1835.68","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C72 H40 N40 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0398","0.0323","","","0.0774","0.0817","","","","","","1.048","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032801","3.7784","0.0001","24.5524","0.0006","9.8852","0.0003","90","","97.1767","0.0016","90","","909.85","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Br N4 O2 -","- C8 H5 Br N4 O2 -","- C32 H20 Br4 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0245","0.0213","","","0.0451","0.0461","","","","","","1.152","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032802","16.8784","0.0002","6.79041","0.0001","17.2448","0.0003","90","","105.835","0.0008","90","","1901.45","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I N4 O2 -","- C8 H5 I N4 O2 -","- C64 H40 I8 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.037","0.03","","","0.0597","0.0621","","","","","","1.072","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032803","5.9065","0.0002","23.8475","0.0007","6.561","0.0002","90","","106.476","0.0009","90","","886.2","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br N5 O2 -","- C7 H4 Br N5 O2 -","- C28 H16 Br4 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0247","0.0207","","","0.0459","0.0472","","","","","","1.16","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032804","3.9074","0.0001","12.9574","0.0005","18.5066","0.0007","90","","90","","90","","936.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0397","0.0384","","","0.1072","0.1082","","","","","","1.084","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032805","7.8683","0.0005","11.5556","0.0008","11.5585","0.0008","90","","96.3412","0.0011","90","","1044.5","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 F3 N3 O2 -","- C10 H6 F3 N3 O2 -","- C40 H24 F12 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0441","0.038","","","0.0965","0.1021","","","","","","1.042","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032806","3.81","0.0002","26.9866","0.0017","11.1734","0.0007","90","","94.412","0.004","90","","1145.43","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0372","0.0355","","","0.09","0.0911","","","","","","1.061","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032807","11.9252","0.001","11.1719","0.0009","14.2655","0.0012","90","","100.883","0.0014","90","","1866.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 Br N3 O2 -","- C9 H6 Br N3 O2 -","- C72 H48 Br8 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0248","0.021","","","0.0573","0.0585","","","","","","1.112","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032808","7.2479","0.0008","16.0198","0.0018","10.5934","0.0012","90","","99.1343","0.0018","90","","1214.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.046","0.0358","","","0.0911","0.0978","","","","","","1.032","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032809","10.951","0.0007","11.4414","0.0007","11.9203","0.0007","86.741","0.005","63.415","0.006","86.611","0.005","1332.53","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","2","","Liu, Yi; Nie, Gang; Zhou, Zhongzhen; Jia, Lihui; Chen, Yunfeng","Copper-Catalyzed Oxidative Cross-Dehydrogenative Coupling/Oxidative Cycloaddition: Synthesis of 4-Acyl-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","17","9198","9203","10.1021/acs.joc.7b01429","","","0.71073","MoKα","","0.0763","0.0477","","","0.1104","0.1308","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032810","7.531","0.002","8.12","0.003","23.756","0.008","90","","94.41","0.007","90","","1448.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Biswas, Aniruddha; Karmakar, Ujjwal; Nandi, Shiny; Samanta, Rajarshi","Copper-Catalyzed Direct, Regioselective Arylamination of N-Oxides: Studies To Access Conjugated π-Systems.","The Journal of organic chemistry","2017","82","17","8933","8942","10.1021/acs.joc.7b01343","","","0.71073","MoKα","","0.1534","0.0745","","","0.1995","0.2842","","","","","","0.953","","","","has coordinates","200458","2020-10-21","18:00:00",""
"4032811","10.181","0.002","11.283","0.002","18.953","0.004","90","","99.67","0.03","90","","2146.2","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C108 H92 N4 O8 -","4","1","","Liu, Yunyun; Zhang, Yi; Wan, Jie-Ping","Multicomponent Synthesis of Diverse o-Arylated Benzamides via o-Aminophenol (OAP) Directed C(sp(2))-H Arylation.","The Journal of organic chemistry","2017","82","17","8950","8957","10.1021/acs.joc.7b01375","","","0.71073","MoKα","","0.073","0.0432","","","0.1121","0.1331","","","","","","1.093","","","","has coordinates","200459","2020-10-21","18:00:00",""
"4032812","13.3569","0.0002","8.15707","0.00012","17.6178","0.0003","90","","107.156","0.0009","90","","1834.1","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Garve, Lennart K. B.; Kreft, Alexander; Jones, Peter G.; Werz, Daniel B.","Synthesis of 2-Unsubstituted Pyrrolidines and Piperidines from Donor-Acceptor Cyclopropanes and Cyclobutanes: 1,3,5-Triazinanes as Surrogates for Formylimines.","The Journal of organic chemistry","2017","82","17","9235","9242","10.1021/acs.joc.7b01631","","","1.54184","CuKα","","0.0333","0.0286","","","0.0709","0.0746","","","","","","1.046","","","","has coordinates","200460","2020-10-21","18:00:00",""
"4032813","10.5537","0.0016","8.9576","0.0013","11.7956","0.0019","90","","113.549","0.003","90","","1022.2","0.3","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Tang, Mi; Sun, Rengwei; Li, Hao; Yu, Xinhong; Wang, Wei","An Unconventional Redox Cross Claisen Condensation-Aromatization of 4-Hydroxyprolines with Ketones.","The Journal of organic chemistry","2017","82","16","8419","8425","10.1021/acs.joc.7b01033","","","0.71073","MoKα","","0.0734","0.0506","","","0.1206","0.133","","","","","","1.031","","","","has coordinates","200461","2020-10-21","18:00:00",""
"4032814","17.0424","0.0008","5.8162","0.0003","21.1265","0.0012","90","","91.919","0.005","90","","2092.93","0.19","289.86","0.1","289.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O4 S -","- C25 H19 N O4 S -","- C100 H76 N4 O16 S4 -","4","1","","Zhu, Xin-Yu; Li, Ming; Han, Ya-Ping; Chen, Si; Li, Xue-Song; Liang, Yong-Min","Copper-Catalyzed Oxidative Cyclization of Alkynes with Sulfonylhydrazides Leading to 2-Sulfonated 9H-pyrrolo[1,2-a]indol-9-ones.","The Journal of organic chemistry","2017","82","16","8761","8768","10.1021/acs.joc.7b01497","","","0.71073","MoKα","","0.114","0.0633","","","0.1368","0.1746","","","","","","1.044","","","","has coordinates,has disorder","200462","2020-10-21","18:00:00",""
"4032815","12.2306","0.0004","9.0943","0.0003","13.4271","0.0005","90","","114.092","0.0008","90","","1363.38","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1S,2R,4S,5R)-2-((S)-hydroxy(1-methylquinolin-1-ium-4-yl) methyl)-1-(4-nitrobenzyl)-5-vinylquinuclidin-1-ium Iodide Bromide Monohydrate","","- C27 H33 Br I N3 O4 -","- C27 H33 Br I N3 O4 -","- C54 H66 Br2 I2 N6 O8 -","2","1","","He, Cyndi Qixin; Simon, Adam; Lam, Yu-Hong; Brunskill, Andrew P. J.; Yasuda, Nobuyoshi; Tan, Jiajing; Hyde, Alan M.; Sherer, Edward C.; Houk, K. N.","Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts.","The Journal of organic chemistry","2017","82","16","8645","8650","10.1021/acs.joc.7b01577","","","1.54178","CuKα","","0.0474","0.0474","","","0.1256","0.1256","","","","","","1.064","","","","has coordinates","200463","2020-10-21","18:00:00",""
"4032816","11.377","0.005","30.75","0.014","15.411","0.007","90","","91.92","0.006","90","","5388","4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 O5 -","- C29 H36 O5 -","- C232 H288 O40 -","8","2","","Yuan, Zhenbo; Liu, Lina; Pan, Rui; Yao, Hequan; Lin, Aijun","Silver-Catalyzed Cascade 1,6-Addition/Cyclization of para-Quinone Methides with Propargyl Malonates: An Approach to Spiro[4.5]deca-6,9-dien-8-ones.","The Journal of organic chemistry","2017","82","16","8743","8751","10.1021/acs.joc.7b01400","","","0.71073","MoKα","","0.1193","0.0664","","","0.1675","0.1898","","","","","","0.978","","","","has coordinates","200464","2020-10-21","18:00:00",""
"4032817","16.13","0.003","10.2406","0.0018","23.601","0.004","90","","102.039","0.003","90","","3812.7","1.2","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H8 S4 -","- C70 H8 S4 -","- C280 H32 S16 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1097","0.083","","","0.2133","0.2273","","","","","","1.114","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032818","10.158","0.0012","19.515","0.002","23.955","0.003","90","","94.195","0.002","90","","4736","0.9","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H16 S6 -","- C79 H16 S6 -","- C316 H64 S24 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1171","0.0689","","","0.1627","0.1934","","","","","","1.019","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032819","22.3397","0.0019","10.2812","0.0009","20.0732","0.0017","90","","100.056","0.001","90","","4539.6","0.7","188","2","188","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H9 Cl3 -","- C39 H9 Cl3 -","- C312 H72 Cl24 -","8","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.0791","0.0562","","","0.1321","0.1469","","","","","","1.028","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032820","22.5926","0.0006","17.1813","0.0004","24.2882","0.0006","90","","116.291","0.001","90","","8452.7","0.4","190","2","190","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C82 H22 -","- C82 H22 -","- C656 H176 -","8","2","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","1.54184","CuKα","","0.0672","0.0431","","","0.0994","0.1108","","","","","","1.045","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032821","12.785","0.006","20.503","0.009","7.913","0.003","90","","96.022","0.013","90","","2062.8","1.5","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O3 -","- C25 H18 Br N O3 -","- C100 H72 Br4 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhang, Guo-Wei; Wang, Dawei; Zhu, Su-Li","Visible-Light Induced and Oxygen-Promoted Oxidative Cyclization of Aromatic Enamines for the Synthesis of Quinolines Derivatives.","The Journal of organic chemistry","2017","82","16","8455","8463","10.1021/acs.joc.7b01206","","","0.71073","MoKα","","0.066","0.0447","","","0.1057","0.1222","","","","","","1.05","","","","has coordinates","200467","2020-10-21","18:00:00",""
"4032822","9.2638","0.0008","10.2009","0.0009","14.8127","0.0012","72.639","0.002","83.77","0.002","65.418","0.002","1214.73","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C54 H54 O6 P2 S2 -","2","1","","Luo, Kai; Zhang, Ling; Ma, Jing; Sha, Qiang; Wu, Lei","Acetic Acid Mediated Sulfonylation of Allenylphosphine Oxides: Divergent Synthesis of Bifunctionalized 1,3-Butadienes and Allenes.","The Journal of organic chemistry","2017","82","13","6978","6985","10.1021/acs.joc.7b00813","","","0.71073","MoKα","","0.1004","0.065","","","0.1592","0.1726","","","","","","1.06","","","","has coordinates","200468","2020-10-21","18:00:00",""
"4032823","8.57829","0.00016","18.2622","0.0003","15.8812","0.0003","90","","95.524","0.007","90","","2476.37","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O3 Si -","- C24 H29 F3 N2 O3 Si -","- C96 H116 F12 N8 O12 Si4 -","4","2","","Matsuzawa, Akinobu; Noda, Hidetoshi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Addition of an α-CF3 Amide to Arylglyoxal Hydrates.","The Journal of organic chemistry","2017","82","15","8304","8308","10.1021/acs.joc.7b01381","","","1.54187","CuKα","","0.0394","0.036","","","0.0949","0.0998","","","","","","1.123","","","","has coordinates","200469","2020-10-21","18:00:00",""
"4032824","10.415","0.002","12.716","0.003","10.387","0.002","90","","110.369","0.005","90","","1289.6","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Chu, Haoke; Dai, Qiang; Jiang, Yan; Cheng, Jiang","Synthesis of 2-Amino-3-hydroxy-3H-indoles via Palladium-Catalyzed One-Pot Reaction of Isonitriles, Oxygen, and N-Tosylhydrazones Derived from 2-Acylanilines.","The Journal of organic chemistry","2017","82","15","8267","8272","10.1021/acs.joc.7b01195","","","0.71073","MoKα","","0.089","0.058","","","0.1484","0.1724","","","","","","1.042","","","","has coordinates","200470","2020-10-21","18:00:00",""
"4032825","7.3153","0.0001","31.4358","0.0003","7.8245","0.0001","90","","94.8743","0.0008","90","","1792.83","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H23 O7.5 -","- C18 H23 O7.5 -","- C72 H92 O30 -","4","2","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0309","0.0306","","0.0788","0.0786","0.0788","","","","","","1","","","","has coordinates","200471","2020-10-21","18:00:00",""
"4032826","8.1119","0.0008","9.8266","0.0011","11.556","0.0012","76.289","0.009","86.458","0.008","78.125","0.009","875.67","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Zhao, Xuna; Liu, Tong-Xin; Ma, Nana; Zhang, Guisheng","In Situ Generated TEMPO Oxoammonium Salt Mediated Tandem Cyclization of β-Oxoamides with Amine Hydrochlorides for the Synthesis of Pyrrolin-4-ones.","The Journal of organic chemistry","2017","82","12","6125","6132","10.1021/acs.joc.7b00686","","","1.54184","CuKα","","0.0509","0.039","","","0.0971","0.109","","","","","","1.032","","","","has coordinates","200472","2020-10-21","18:00:00",""
"4032827","14.7063","0.0004","10.0708","0.0003","14.2801","0.0004","90","","101.103","0.001","90","","2075.36","0.1","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","1","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","1.54178","CuKα","","0.0361","0.0331","","","0.0864","0.0888","","","","","","1.067","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032828","9.136","0.007","8.483","0.007","13.462","0.009","90","","100.47","0.02","90","","1025.9","1.3","199","2","199","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","0.5","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","0.71073","MoKα","","0.1173","0.0716","","","0.1739","0.2009","","","","","","1.053","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032829","10.0344","0.0002","10.3739","0.0002","11.6159","0.0002","87.53","0.001","67.052","0.001","61.903","0.001","967.44","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0206","0.0205","","","0.0532","0.0533","","","","","","1.035","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032830","9.633","0.0008","9.8645","0.0008","10.6804","0.0009","109.007","0.001","106.612","0.001","93.966","0.001","904.65","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 I O4 S -","- C18 H14 F3 I O4 S -","- C36 H28 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0147","0.0142","","","0.038","0.0384","","","","","","0.974","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032831","9.9635","0.0004","10.1328","0.0004","11.7246","0.0004","91.875","0.001","111.958","0.001","112.635","0.001","991.46","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0149","0.0147","","","0.0427","0.0429","","","","","","1.039","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032832","9.9729","0.0005","10.6715","0.0005","12.206","0.0006","102.541","0.001","111.255","0.001","108.094","0.001","1068.12","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F3 I O4 S -","- C21 H20 F3 I O4 S -","- C42 H40 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0189","0.0178","","","0.0441","0.0447","","","","","","1.08","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032833","14.6631","0.0015","6.8524","0.0007","23.29","0.002","90","","99.566","0.005","90","","2307.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F9 I O4 S -","- C21 H14 F9 I O4 S -","- C84 H56 F36 I4 O16 S4 -","4","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0524","0.0495","","","0.145","0.1477","","","","","","1.133","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032834","7.1678","0.0009","10.6157","0.0014","14.7091","0.0019","84.423","0.011","85.186","0.011","77.35","0.011","1084.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 S2 -","- C24 H16 N4 O4 S2 -","- C48 H32 N8 O8 S4 -","2","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.141","0.1072","","","0.2896","0.3227","","","","","","1.093","","","","has coordinates,has disorder","202689","2020-10-21","18:00:00",""
"4032835","10.81","0.0008","14.1314","0.0016","8.1358","0.0006","90","","90","","90","","1242.83","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C48 H40 N8 O8 S8 -","4","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.0375","0.0325","","","0.0865","0.0909","","","","","","1.067","","","","has coordinates","202689","2020-10-21","18:00:00",""
"4032836","30.731","0.002","29.5041","0.0019","11.0727","0.0007","90","","95.596","0.002","90","","9991.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 N4 O4 -","- C52 N4 O4 -","- C416 N32 O32 -","8","2","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1633","0.1141","","","0.3001","0.3345","","","","","","1.0989","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032837","10.9966","0.0016","11.7042","0.0016","17.918","0.003","74.512","0.004","86.687","0.004","86.239","0.004","2215.7","0.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C56 N4 O4 -","- C56 N4 O4 -","- C112 N8 O8 -","2","1","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1358","0.0982","","","0.2689","0.3129","","","","","","1.0882","","","","has coordinates,has disorder","202692","2020-10-21","18:00:00",""
"4032838","9.3519","0.0019","9.4398","0.0019","11.185","0.002","95.51","0.004","114.285","0.004","101.901","0.004","862.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br F2 -","- C24 H13 Br F2 -","- C48 H26 Br2 F4 -","2","1","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0447","0.0347","","","0.0891","0.0942","","","","","","1.032","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032839","11.5087","0.0018","12.063","0.0018","13.724","0.002","94.057","0.003","96.328","0.003","118.373","0.003","1649.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 Br S -","- C22 H13 Br S -","- C88 H52 Br4 S4 -","4","2","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0688","0.0455","","","0.1103","0.1216","","","","","","0.99","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032840","7.0234","0.0003","26.33","0.0009","7.4708","0.0003","90","","90.907","0.004","90","","1381.37","0.09","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","2","","Zhou, Bo; Li, Long; Liu, Xin; Tan, Tong-De; Liu, Jinxian; Ye, Long-Wu","Yttrium-Catalyzed Tandem Intermolecular Hydroalkoxylation/Claisen Rearrangement.","The Journal of organic chemistry","2017","82","19","10149","10157","10.1021/acs.joc.7b01612","","x-ray","1.54184","CuKα","","0.0514","0.0435","","","0.0931","0.1007","","","","","","1.016","","","","has coordinates","202710","2020-10-21","18:00:00",""
"4032841","4.5484","0.0004","12.7871","0.0012","13.9287","0.0014","115.468","0.009","91.873","0.007","97.603","0.007","721.31","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Li, Ting; Fu, Chen; Ma, Qinge; Sang, Zhipei; Yang, Yuhan; Yang, Hao; Lv, Rongrong; Li, Bo","Cobalt/Copper-Cocatalyzed Synthesis of Imidazo[1,2-a:3,4-a']dipyridiniums from 2H-[1,2'-Bipyridin]-2-ones and 2-Bromoacetophenones.","The Journal of organic chemistry","2017","82","19","10263","10270","10.1021/acs.joc.7b01742","","","0.71073","MoKα","","0.1193","0.0639","","","0.1533","0.1965","","","","","","0.922","","","","has coordinates","202686","2020-10-21","18:00:00",""
"4032842","11.8025","0.0007","20.7261","0.0013","24.3022","0.0015","90","","99.226","0.002","90","","5867.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N7 O24 -","- C55 H68 N7 O24 -","- C220 H272 N28 O96 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0981","0.0587","","","0.1646","0.21","","","","","","1.029","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032843","38.167","0.005","16.311","0.002","20.656","0.003","90","","109.581","0.004","90","","12116","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H69 N7 O24 -","- C55 H69 N7 O24 -","- C440 H552 N56 O192 -","8","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1299","0.0753","","","0.1969","0.2219","","","","","","1.024","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032844","19.851","0.003","14.2576","0.0019","23.979","0.003","90","","101.033","0.003","90","","6661.3","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 N7 O29 -","- C54 H72 N7 O29 -","- C216 H288 N28 O116 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1357","0.09","","","0.2396","0.2672","","","","","","1.088","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032845","12.0232","0.0016","14.837","0.002","21.708","0.003","100.853","0.004","94.193","0.004","107.65","0.004","3588.9","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PIM","PIM","","- C60 H85 N7 O24 -","- C60 H84 N7 O24 -","- C120 H168 N14 O48 -","2","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.142","0.1178","","","0.3399","0.3754","","","","","","1.661","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032846","12.685","0.002","17.544","0.003","29.713","0.005","90","","104.402","0.007","90","","6404.7","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 N7 O16 -","- C62 H88 N7 O16 -","- C248 H352 N28 O64 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0901","0.062","","","0.1498","0.1664","","","","","","1.072","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032847","12.2639","0.0008","12.7251","0.0008","22.7496","0.0015","87.293","0.002","87.843","0.002","79.827","0.002","3489","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","1","0.5","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1367","0.1078","","","0.3369","0.3703","","","","","","1.463","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032848","16.957","0.003","7.7224","0.0015","18.204","0.004","90","","90","","90","","2383.8","0.8","153.15","","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Wang, Xiaoxia; Li, Na; Li, Zhongfeng; Rao, Honghua","Copper-Catalyzed Dehydrogenative C(sp(2))-N Bond Formation via Direct Oxidative Activation of an Anilidic N-H Bond: Synthesis of Benzoimidazo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","19","10158","10166","10.1021/acs.joc.7b01617","","","0.71073","MoKα","","0.0966","0.0801","","","0.1663","0.1864","","","","","","1.209","","","","has coordinates","202677","2020-10-21","18:00:00",""
"4032849","7.3223","0.0013","5.9112","0.0009","16.224","0.005","90","","93.79","0.02","90","","700.7","0.3","291.13","0.1","291.13","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","x-ray","0.71073","MoKα","","0.315","0.1057","","","0.13","0.216","","","","","","0.979","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032850","9.4351","0.0007","5.8009","0.0003","13.4209","0.0014","90","","103.224","0.01","90","","715.08","0.1","289.6","0.2","289.6","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","","0.71073","MoKα","","0.0873","0.0557","","","0.0817","0.0985","","","","","","1.045","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032851","5.9265","0.0003","11.8003","0.0006","10.0928","0.0006","90","","98.24","0.006","90","","698.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F3 N O3 -","- C14 H16 F3 N O3 -","- C28 H32 F6 N2 O6 -","2","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0497","0.0436","","","0.1134","0.1192","","","","","","1.062","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032852","5.7347","0.00007","12.45975","0.00015","20.4676","0.0003","90","","90","","90","","1462.47","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O3 -","- C15 H18 F3 N O3 -","- C60 H72 F12 N4 O12 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0376","0.0369","","","0.0979","0.0989","","","","","","1.063","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032853","27.2782","0.0005","27.2782","0.0005","10.61163","0.00018","90","","90","","120","","6838.2","0.2","100","0.1","100","0.1","","","","","","","","5","R 3","R 3","146","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C252 H324 F54 N18 O36 -","18","","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0911","0.0826","","","0.2245","0.2364","","","","","","1.064","","","","has coordinates,has disorder","202703","2020-10-21","18:00:00",""
"4032854","9.9857","0.0006","14.0575","0.0007","11.098","0.0006","90","","109.932","0.007","90","","1464.55","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C56 H72 F12 N4 O8 -","4","2","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0619","0.0524","","","0.1372","0.1522","","","","","","1.05","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032855","9.5853","0.00014","10.83863","0.00013","20.3107","0.0002","90","","90","","90","","2110.11","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F3 N2 O -","- C25 H25 F3 N2 O -","- C100 H100 F12 N8 O4 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0523","0.0449","","","0.1081","0.1155","","","","","","1.047","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032856","11.2751","0.0003","9.9229","0.0003","20.6082","0.0007","90","","101.993","0.0016","90","","2255.36","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C104 H96 N8 O20 -","4","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.1321","0.0561","","0.1053","0.0668","0.0711","","","","","","1.1","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032857","5.13742","0.00016","9.0247","0.0003","13.0607","0.0005","90","","94.461","0.003","90","","603.71","0.04","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","1.54184","CuKα","","0.0278","0.0273","","0.0691","0.0686","0.0691","","","","","","1.0091","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032858","6.738","0.0002","9.4072","0.0003","19.3817","0.0008","99.2201","0.0014","98.4462","0.0014","95.3839","0.0018","1190.8","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0815","0.0656","","0.0871","0.0729","0.0707","","","","","","1.1205","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032859","14.5382","0.0002","10.7629","0.0002","22.8787","0.0004","90","","103.72","0.0008","90","","3477.76","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0604","0.0396","","0.0903","0.0825","0.0903","","","","","","0.9674","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032860","6.85883","0.00014","8.78905","0.00014","13.309","0.0002","98.1952","0.0012","100.839","0.001","92.0569","0.0007","778.32","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","YWS-267-2","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1088","0.0601","","","0.1498","0.178","","","","","","1.041","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032861","10.4633","0.0002","52.1683","0.0012","9.0153","0.0002","90","","105.651","0.0012","90","","4738.57","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PSJ-2510-up","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C204 H156 F36 N24 O24 -","12","3","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1725","0.0963","","","0.1424","0.1668","","","","","","1.085","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032862","8.981","0.0006","9.1535","0.0005","20.8614","0.0014","90","","90","","90","","1714.97","0.19","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br F N O3 S -","- C17 H15 Br F N O3 S -","- C68 H60 Br4 F4 N4 O12 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.0435","0.0344","","","0.0878","0.0939","","","","","","1.035","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032863","8.5286","0.0004","10.1752","0.0004","21.0585","0.0007","90","","90","","90","","1827.46","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F O4 S -","- C18 H16 Br F O4 S -","- C72 H64 Br4 F4 O16 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.037","0.0289","","","0.0616","0.064","","","","","","1.061","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032864","11.8453","0.0011","12.0707","0.0012","12.4256","0.0012","88.758","0.002","71.129","0.001","73.239","0.001","1604.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 N2 -","- C40 H40 N2 -","- C80 H80 N4 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.1279","0.0558","","","0.1281","0.1554","","","","","","0.84","","","","has coordinates,has disorder","202711","2020-10-21","18:00:00",""
"4032865","8.4609","0.0007","12.4431","0.0011","8.234","0.0008","90","","99.375","0.002","90","","855.3","0.13","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C24 H17 N -","- C24 H17 N -","- C48 H34 N2 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.0831","0.0486","","","0.1286","0.1518","","","","","","1.008","","","","has coordinates","202711","2020-10-21","18:00:00",""
"4032866","9.1169","0.0019","10.066","0.002","13.129","0.003","90","","90","","90","","1204.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1'S,2'R,3'S,4'R)-3'-bromo-2',4'-dihydroxy-3',4'-dihydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5(4H)-one","","","- C13 H13 Br O4 -","- C13 H13 Br O4 -","- C52 H52 Br4 O16 -","4","1","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0199","0.019","","","0.0456","0.0458","","","","","","1.02","","","","has coordinates","204822","2020-10-21","18:00:00",""
"4032867","9.1853","0.0012","18.882","0.002","13.3012","0.0017","89.973","0.002","92.232","0.002","90.086","0.002","2305.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","(S)-3'-bromo-2'H,3H-spiro[furan-2,1'-naphthalene]-2',5(4H)-dione","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C104 H72 Br8 O24 -","8","8","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0365","0.0285","","","0.0622","0.0645","","","","","","0.912","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032868","21.23","0.03","4.782","0.007","16.45","0.03","90","","96.883","0.019","90","","1658","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Yang, Xing; Pang, Shuai; Cheng, Feng; Zhang, Yue; Lin, Ya-Wei; Yuan, Quan; Zhang, Fang-Lin; Huang, Yi-Yong","Enantioselective Synthesis of 1,3-Disubstituted 1,3-Dihydroisobenzofurans via a Cascade Allylboration/Oxo-Michael Reaction of o-Formyl Chalcones Catalyzed by a Chiral Phosphoric Acid.","The Journal of organic chemistry","2017","82","19","10388","10397","10.1021/acs.joc.7b01856","","","0.71073","MoKα","","0.175","0.0628","","","0.1323","0.1821","","","","","","0.952","","","","has coordinates","202694","2020-10-21","18:00:00",""
"4032869","6.01068","0.00012","50.8074","0.0009","10.7946","0.00019","90","","106.165","0.0004","90","","3166.19","0.1","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 Br O5 -","- C35 H47 Br O5 -","- C140 H188 Br4 O20 -","4","2","","Kikuchi, Takashi; Horii, Yui; Maekawa, Yukina; Masumoto, Yuki; In, Yasuko; Tomoo, Koji; Sato, Hiroyasu; Yamano, Akihito; Yamada, Takeshi; Tanaka, Reiko","Pleurocins A and B: Unusual 11(9 →7)-abeo-Ergostanes and Eringiacetal B: A 13,14-seco-13,14-Epoxyergostane from Fruiting Bodies of Pleurotus eryngii and Their Inhibitory Effects on Nitric Oxide Production.","The Journal of organic chemistry","2017","82","19","10611","10616","10.1021/acs.joc.7b01259","","","1.54187","CuKα","","0.0895","0.0879","","","0.2491","0.2524","","","","","","1.049","","","","has coordinates","202708","2020-10-21","18:00:00",""
"4032870","4.714","0.0001","9.5506","0.0003","12.6537","0.0003","80.792","0.002","86.831","0.002","76.742","0.002","547.26","0.03","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N8 -","- C10 H12 N8 -","- C20 H24 N16 -","2","1","","Ahmed, Basil M.; Rudell, Nicholas A.; Soto, Ixtlazihuatl; Mezei, Gellert","Reaction of Amines with Aldehydes and Ketones Revisited: Access To a Class of Non-Scorpionate Tris(pyrazolyl)methane and Related Ligands.","The Journal of organic chemistry","2017","82","19","10549","10562","10.1021/acs.joc.7b02070","","","0.71073","MoKα","","0.055","0.0395","","","0.1025","0.1228","","","","","","1.074","","","","has coordinates","202672","2020-10-21","18:00:00",""
"4032871","11.37","0.004","9.159","0.003","21.98","0.007","90","","102.338","0.011","90","","2236.1","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","1","","Zhang, Jiayong; Cheng, Cheng; Wang, Dian; Miao, Zhiwei","Regio- and Diastereoselective Construction of Spirocyclopenteneoxindoles through Phosphine-Catalyzed [3 + 2] Annulation of Methyleneindolinone with Alkynoate Derivatives.","The Journal of organic chemistry","2017","82","19","10121","10128","10.1021/acs.joc.7b01582","","","1.54187","CuKα","","0.0415","0.0405","","","0.1147","0.1156","","","","","","1.078","","","","has coordinates","202682","2020-10-21","18:00:00",""
"4032872","5.14336","0.00016","16.7956","0.0005","18.7002","0.0006","90","","90","","90","","1615.43","0.09","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0393","0.0352","","","0.0871","0.0905","","","","","","1.039","","","","has coordinates","202697","2020-10-21","18:00:00",""
"4032873","10.5287","0.0004","9.9246","0.0004","14.8794","0.0006","90","","104.141","0.002","90","","1507.68","0.1","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","x-ray","0.71073","MoKα","","0.0413","0.0355","","","0.0832","0.0869","","","","","","1.0526","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032874","9.787","0.005","12.007","0.005","27.226","0.005","90","","90","","90","","3199","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C96 H200 N24 O24 -","8","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0402","0.0383","","","0.0965","0.0986","","","","","","1.0606","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4032875","13.1619","0.0008","13.8635","0.0004","8.2762","0.0003","90","","101.23","0.005","90","","1481.24","0.12","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C72 H58 Br2 N8 Ni2 -","2","0.5","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0727","0.0608","","","0.16","0.1702","","","","","","1.087","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032876","12.6966","0.0003","27.8406","0.0007","8.1912","0.0002","90","","98.977","0.002","90","","2859.97","0.12","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C144 H116 Br4 N16 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0491","0.0445","","","0.1288","0.1403","","","","","","1.272","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032877","9.723","0.0004","25.4861","0.0011","15.9516","0.0005","90","","106.565","0.004","90","","3788.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl2 N5 Ni -","- C45 H41 Cl2 N5 Ni -","- C180 H164 Cl8 N20 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71073","MoKα","","0.0651","0.0531","","","0.1257","0.1347","","","","","","1.054","","","","has coordinates","202706","2020-10-21","18:00:00",""
"4032878","8.631","0.0004","6.1744","0.0003","20.4789","0.001","90","","101.241","0.001","90","","1070.41","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0278","0.0277","","","0.0738","0.0739","","","","","","1.06","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032879","12.6744","0.0007","5.1327","0.0003","16.2796","0.0009","90","","110.498","0.002","90","","992","0.1","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O2 -","- C26 H26 O2 -","- C52 H52 O4 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0274","0.0271","","","0.0711","0.0714","","","","","","1.034","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032880","5.7218","0.0005","14.0188","0.0012","24.109","0.002","90","","90","","90","","1933.8","0.3","273.15","","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54178","CuKα","","0.0297","0.0294","","","0.0778","0.078","","","","","","1.103","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032881","21.309","0.003","23.961","0.003","13.3093","0.0019","90","","121.45","0.002","90","","5797.2","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 B F2 N3 O8 -","- C60 H62 B F2 N3 O8 -","- C240 H248 B4 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.0853","0.0591","","","0.173","0.1908","","","","","","1.08","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032882","21.3351","0.0017","25.306","0.002","13.0491","0.001","90","","116.512","0.001","90","","6304.4","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 B Br2 F2 N3 O8 -","- C60 H60 B Br2 F2 N3 O8 -","- C240 H240 B4 Br8 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.078","0.0478","","","0.1271","0.1366","","","","","","1.076","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032883","12.386","0.002","14.229","0.003","16.434","0.003","104.736","0.002","98.092","0.003","97.797","0.003","2728.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 B F2 N3 O8 -","- C60 H58 B F2 N3 O8 -","- C120 H116 B2 F4 N6 O16 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1179","0.0743","","","0.2325","0.2555","","","","","","0.986","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032884","11.7012","0.0015","11.9793","0.0015","20.493","0.003","90.244","0.002","90.127","0.002","116.904","0.002","2561.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 B F2 N3 O2 -","- C54 H48 B F2 N3 O2 -","- C108 H96 B2 F4 N6 O4 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1421","0.078","","","0.2205","0.2435","","","","","","1.083","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032885","21.2312","0.0006","7.2323","0.0002","22.3298","0.0007","90","","90","","90","","3428.75","0.17","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Stivanin, Mateus L.; Duarte, Marcelo; Sartori, Camila; Capreti, Naylil M. R.; Angolini, Celio F. F.; Jurberg, Igor D.","An Aminocatalyzed Michael Addition/Iron-Mediated Decarboxylative Cyclization Sequence for the Preparation of 2,3,4,6-Tetrasubstituted Pyridines: Scope and Mechanistic Insights.","The Journal of organic chemistry","2017","82","19","10319","10330","10.1021/acs.joc.7b01789","","","1.54178","CuKα","","0.0558","0.0474","","","0.1315","0.139","","","","","","1.03","","","","has coordinates","202705","2020-10-21","18:00:00",""
"4032886","11.812","0.006","6.112","0.003","14.148","0.008","90","","105.405","0.006","90","","984.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O5 S -","- C19 H24 N2 O5 S -","- C38 H48 N4 O10 S2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.0486","0.0396","","","0.095","0.1017","","","","","","1.033","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032887","6.734","0.007","18.45","0.019","12.022","0.012","90","","98.661","0.015","90","","1477","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 S Si -","- C29 H37 N O5 S Si -","- C58 H74 N2 O10 S2 Si2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.1014","0.0524","","","0.0906","0.1109","","","","","","1.025","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032888","10.969","0.006","14.515","0.006","15.54","0.007","90","","109.929","0.008","90","","2326","1.9","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Santhini, P. V.; Krishnan R, Akhil; Babu, Sheba Ann; Simethy, Betna Shamlin; Das, Gourab; Praveen, Vakayil K.; Varughese, Sunil; John, Jubi","One-Pot MCR-Oxidation Approach toward Indole-Fused Heteroacenes.","The Journal of organic chemistry","2017","82","19","10537","10548","10.1021/acs.joc.7b02039","","","0.71073","MoKα","","0.1157","0.0604","","","0.1638","0.1943","","","","","","0.869","","","","has coordinates","202676","2020-10-21","18:00:00",""
"4032889","7.40246","0.00019","7.5881","0.0002","21.4216","0.0005","90","","90","","90","","1203.26","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N S2 -","- C12 H10 Cl N S2 -","- C48 H40 Cl4 N4 S8 -","4","1","","Belot, Vincent; Farran, Daniel; Jean, Marion; Albalat, Muriel; Vanthuyne, Nicolas; Roussel, Christian","Steric Scale of Common Substituents from Rotational Barriers of N-(o-Substituted aryl)thiazoline-2-thione Atropisomers.","The Journal of organic chemistry","2017","82","19","10188","10200","10.1021/acs.joc.7b01698","","x-ray","1.54184","CuKα","","0.0237","0.0234","","","0.0644","0.0647","","","","","","1.078","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032890","20.188","0.002","9.8499","0.0008","10.9975","0.001","90","","102.392","0.003","90","","2135.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C96 H88 N8 O12 S4 -","4","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0623","0.0448","","","0.1133","0.1218","","","","","","1.055","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032891","9.235","0.0004","10.6767","0.0004","44.894","0.002","90","","92.065","0.001","90","","4423.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C192 H192 N16 O24 S8 -","8","2","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.1022","0.0625","","","0.1201","0.1397","","","","","","1.156","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032892","32.959","0.004","8.5274","0.0008","18.548","0.002","90","","109.063","0.004","90","","4927.1","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 I N2 O4 S -","- C26 H21 I N2 O4 S -","- C208 H168 I8 N16 O32 S8 -","8","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0622","0.037","","","0.0855","0.0942","","","","","","1.097","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032893","7.0936","0.0003","9.3673","0.0004","10.8449","0.0004","103.189","0.0014","97.273","0.0016","90.9588","0.0016","695.19","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ye617","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C32 H30 N2 O4 S2 -","2","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0788","0.0732","","","0.2082","0.2182","","","","","","1.096","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032894","12.274","0.0004","11.8466","0.0004","7.7264","0.0002","90","","105.465","0.0013","90","","1082.78","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JBK-477","","","- C12 H9 N O2 S -","- C12 H9 N O2 S -","- C48 H36 N4 O8 S4 -","4","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0762","0.069","","","0.1822","0.1914","","","","","","1.04","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032895","5.5974","0.0004","19.0054","0.001","17.2544","0.001","90","","90","","90","","1835.54","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0703","0.0514","","","0.1076","0.1192","","","","","","1.037","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032896","11.0525","0.0008","11.1109","0.0008","11.4881","0.0008","115.323","0.007","99.995","0.006","110.986","0.007","1097.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C52 H46 N2 O8 -","2","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","x-ray","0.71073","MoKα","","0.0717","0.0452","","","0.0998","0.1154","","","","","","1.042","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032897","11.6822","0.0007","11.7363","0.0011","17.1486","0.0012","87.187","0.006","89.117","0.005","81.697","0.006","2323.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O5 -","- C26 H23 N O5 -","- C104 H92 N4 O20 -","4","2","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.1146","0.0581","","","0.1342","0.1803","","","","","","1.038","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032898","35.153","0.002","35.153","0.002","8.9968","0.0005","90","","90","","120","","9628.2","0.9","200","2","200","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C342 H342 N18 O72 -","18","","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0758","0.0533","","","0.1405","0.1538","","","","","","1.047","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032899","5.608","0.002","8.703","0.003","20.091","0.007","90","","90","","90","","980.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Meng, Fei; Zhang, Honglin; Guo, Kang; Dong, Jiayue; Lu, Ai-Min; Zhu, Yingguang","Access to Cyano-Containing Isoxazolines via Copper-Catalyzed Domino Cyclization/Cyanation of Alkenyl Oximes.","The Journal of organic chemistry","2017","82","19","10742","10747","10.1021/acs.joc.7b02133","","","0.71073","MoKα","","0.0893","0.0481","","","0.099","0.1129","","","","","","1.043","","","","has coordinates","202693","2020-10-21","18:00:00",""
"4032900","9.018","0.002","12.803","0.003","13.586","0.003","92.859","0.004","106.099","0.003","90.084","0.004","1505","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 B N O5 -","- C35 H42 B N O5 -","- C70 H84 B2 N2 O10 -","2","1","","Iwamoto, Hiroaki; Ozawa, Yu; Kubota, Koji; Ito, Hajime","Copper(I)-Catalyzed Regio- and Stereoselective Intramolecular Alkylboration of Propargyl Ethers and Amines.","The Journal of organic chemistry","2017","82","19","10563","10573","10.1021/acs.joc.7b02071","","","0.71075","MoKα","","0.1278","0.0529","","","0.1085","0.1629","","","","","","1.078","","","","has coordinates","202709","2020-10-21","18:00:00",""
"4032901","8.8147","0.0015","8.1358","0.0014","20.421","0.004","90","","91.788","0.007","90","","1463.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0915","0.074","","","0.2208","0.2397","","","","","","1.085","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032902","7.1934","0.0007","7.9479","0.0007","9.7888","0.0009","80.149","0.002","78.645","0.002","89.534","0.002","540.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O4 S -","- C10 H11 N O4 S -","- C20 H22 N2 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0287","0.0273","","","0.0665","0.0674","","","","","","1.043","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032903","10.958","0.003","7.579","0.002","18.911","0.005","90","","106.133","0.005","90","","1508.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C64 H60 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.1205","0.0964","","","0.2638","0.2805","","","","","","1.1","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032904","5.676","0.002","9.256","0.004","27.339","0.012","90","","90.107","0.01","90","","1436.3","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl O3 S -","- C15 H13 Cl O3 S -","- C60 H52 Cl4 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.133","0.0676","","","0.1411","0.164","","","","","","1.08","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032905","11.1208","0.0009","11.5061","0.001","11.8471","0.001","90","","102.556","0.002","90","","1479.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0535","0.0426","","","0.1079","0.1143","","","","","","1.052","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032906","6.7402","0.0002","11.5964","0.0002","24.9844","0.0006","90","","90","","90","","1952.83","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O3 -","- C19 H25 F3 N2 O3 -","- C76 H100 F12 N8 O12 -","4","1","","Li, Yifei; Jackson, Kelvin E.; Charlton, Andrew; Le Neve-Foster, Ben; Khurshid, Asma; Rudy, Heinrich-K A; Thompson, Amber L.; Paton, Robert S.; Hodgson, David M.","Asymmetric Induction in C-Alkylation of Tropane-Derived Enamines: Congruence Between Computation and Experiment.","The Journal of organic chemistry","2017","82","19","10479","10488","10.1021/acs.joc.7b01954","","","1.5418","CuKα","","0.0488","0.0465","","0.1275","0.1244","0.1275","","","","","","0.9953","","","","has coordinates,has disorder","202691","2020-10-21","18:00:00",""
"4032907","22.5153","0.0009","8.3136","0.0003","32.1163","0.0013","90","","101.002","0.0018","90","","5901.2","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H38 F20 N8 O4 -","- C64 H38 F20 N8 O4 -","- C256 H152 F80 N32 O16 -","4","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54187","CuKα","","0.1314","0.0736","","","0.1722","0.2176","","","","","","1.005","","","","has coordinates","202674","2020-10-21","18:00:00",""
"4032908","15.9571","0.0009","18.4976","0.0011","21.6413","0.0011","80.425","0.005","84.18","0.004","83.638","0.005","6237.6","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H94 F40 N10 O9 -","- C134 H94 F40 N10 O9 -","- C268 H188 F80 N20 O18 -","2","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54184","CuKα","","0.2358","0.1109","","","0.2628","0.3419","","","","","","1.066","","","","has coordinates,has disorder","202674","2020-10-21","18:00:00",""
"4032909","13.431","0.002","8.9297","0.0015","21.363","0.004","90","","106.011","0.002","90","","2462.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.0868","0.0549","","","0.1545","0.1791","","","","","","0.988","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032910","8.481","0.002","8.527","0.002","13.607","0.003","102.268","0.003","99.165","0.004","107.023","0.004","893.2","0.4","324","2","324","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.1013","0.0557","","","0.1651","0.2035","","","","","","0.92","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032911","11.3053","0.0002","13.6069","0.0003","16.3832","0.0004","105.526","0.002","92.8266","0.0019","109.973","0.002","2254.48","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 Fe O6 -","- C26 H22 Fe O6 -","- C104 H88 Fe4 O24 -","4","2","","Brown, Thomas J.; Cumbes, Madeleine; Diorazio, Louis J.; Clarkson, Guy J.; Wills, Martin","Use of (Cyclopentadienone)iron Tricarbonyl Complexes for C-N Bond Formation Reactions between Amines and Alcohols.","The Journal of organic chemistry","2017","82","19","10489","10503","10.1021/acs.joc.7b01990","","x-ray","1.54184","CuKα","","0.0381","0.0359","","","0.0973","0.0994","","","","","","1.032","","","","has coordinates","202681","2020-10-21","18:00:00",""
"4032912","36.553","0.005","10.5914","0.0015","15.847","0.002","90","","90","","90","","6135.1","1.4","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C256 H240 N48 O64 -","16","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0404","0.0395","","","0.1059","0.1064","","","","","","1.068","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032913","28.443","0.009","5.5707","0.0014","15.837","0.008","90","","121.19","0.02","90","","2146.6","1.5","88","2","88","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C112 H72 N24 O8 -","8","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0597","0.0407","","","0.101","0.1119","","","","","","1.036","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032914","19.7261","0.0006","14.1348","0.0004","20.9034","0.0007","90","","112.341","0.0012","90","","5390.9","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Cl4 N12 O6 -","- C58 H40 Cl4 N12 O6 -","- C232 H160 Cl16 N48 O24 -","4","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","1.54178","CuKα","","0.0712","0.0667","","","0.1876","0.1934","","","","","","1.039","","","","has coordinates,has disorder","202727","2020-10-21","18:00:00",""
"4032915","11.227","0.0005","11.7648","0.0005","19.8563","0.0009","103.634","0.004","90.221","0.004","110.067","0.004","2383.7","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H60 Cl3 N3 Pd -","- C50 H60 Cl3 N3 Pd -","- C100 H120 Cl6 N6 Pd2 -","2","1","","Lu, Dong-Dong; He, Xu-Xian; Liu, Feng-Shou","Bulky Yet Flexible Pd-PEPPSI-IPent(An) for the Synthesis of Sterically Hindered Biaryls in Air.","The Journal of organic chemistry","2017","82","20","10898","10911","10.1021/acs.joc.7b01711","","x-ray","0.71073","MoKα","","0.0495","0.0383","","","0.0779","0.0835","","","","","","1.026","","","","has coordinates","202730","2020-10-21","18:00:00",""
"4032916","10.935","0.003","15.723","0.004","12.065","0.003","90","","109.012","0.003","90","","1961.2","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C76 H116 N4 O12 S4 -","4","2","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1237","0.0555","","","0.1045","0.1382","","","","","","1.038","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032917","8.696","0.014","9.78","0.015","20.51","0.03","90","","90","","90","","1744","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C64 H100 N4 O12 S4 -","4","1","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1142","0.0507","","","0.0919","0.1109","","","","","","0.923","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032918","10.136","0.01","6.549","0.007","17.967","0.018","90","","92.66","0.06","90","","1191","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","amcterbutilo","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","","Molina, Alba; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric 1,3-Dipolar Cycloaddition/Hydroamination Sequence: Expeditious Access to Enantioenriched Pyrroloisoquinoline Derivatives.","The Journal of organic chemistry","2017","82","20","11238","11246","10.1021/acs.joc.7b01927","","","0.71073","MoKα","","0.1633","0.0697","","","0.1536","0.1957","","","","","","1.006","","","","has coordinates","202722","2020-10-21","18:00:00",""
"4032919","23.815","0.014","5.267","0.003","16.247","0.009","90","","100.81","0.008","90","","2002","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 O S -","- C14 H8 O S -","- C112 H64 O8 S8 -","8","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0455","0.044","","","0.105","0.1065","","","","","","1.114","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032920","11.939","0.005","5.977","0.003","19.793","0.009","90","","101.211","0.006","90","","1385.5","1.1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0506","0.0459","","","0.0949","0.097","","","","","","1.136","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032921","11.504","0.008","3.842","0.002","13.114","0.01","90","","112.364","0.014","90","","536","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H7 Cl O S -","- C14 H7 Cl O S -","- C28 H14 Cl2 O2 S2 -","2","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0607","0.0518","","","0.0866","0.0891","","","","","","1.156","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032922","6.657","0.003","8.177","0.004","12.851","0.005","94.123","0.007","92.155","0.004","108.359","0.008","660.9","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","1","0.5","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0496","0.0451","","","0.1","0.1034","","","","","","1.104","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032923","7.7884","0.0007","11.6933","0.0011","12.7018","0.0011","76.661","0.002","80.261","0.002","87.702","0.002","1109.35","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 O3 S -","- C28 H26 O3 S -","- C56 H52 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0403","0.0344","","","0.0858","0.0895","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032924","7.7512","0.0006","11.678","0.0009","13.0912","0.001","74.837","0.002","79.922","0.002","86.822","0.002","1126.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F O3 S -","- C28 H25 F O3 S -","- C56 H50 F2 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0363","0.0318","","","0.081","0.0841","","","","","","1.048","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032925","11.4491","0.0005","17.7989","0.0006","26.917","0.0011","90","","90","","90","","5485.2","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H30 O3 S -","- C34 H30 O3 S -","- C272 H240 O24 S8 -","8","2","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.1093","0.0637","","","0.151","0.1854","","","","","","1.032","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032926","7.629","0.0004","11.9937","0.0007","13.0614","0.0006","74.603","0.002","83.167","0.002","87.823","0.002","1144.01","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 O3 S -","- C29 H28 O3 S -","- C58 H56 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0348","0.0325","","","0.09","0.0922","","","","","","1.056","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032927","8.365","0.0003","14.5526","0.0005","15.0103","0.0004","90","","90","","90","","1827.24","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C88 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0327","0.0309","","","0.073","0.0742","","","","","","1.037","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032928","8.1348","0.0005","13.0188","0.0007","15.4944","0.0009","110.348","0.003","95.56","0.003","107.969","0.003","1424.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C60 H60 O8 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.062","0.0522","","","0.1615","0.1752","","","","","","1.077","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032929","9.3547","0.0004","15.8152","0.0007","16.7422","0.0008","90","","93.334","0.002","90","","2472.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C120 H120 O16 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0606","0.0455","","","0.1067","0.1156","","","","","","1.039","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032930","8.1394","0.0006","9.4166","0.0007","19.4343","0.0015","95.957","0.002","97.141","0.002","109.052","0.002","1380.39","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 O5 S2 -","- C31 H34 O5 S2 -","- C62 H68 O10 S4 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0417","0.0345","","","0.0848","0.0893","","","","","","1.04","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032931","12.4191","0.0008","13.6805","0.001","15.3386","0.0011","90","","103.4","0.002","90","","2535.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 O3 S -","- C29 H27 O3 S -","- C116 H108 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0479","0.038","","","0.097","0.1032","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032932","14.0786","0.0004","13.1662","0.0004","12.1197","0.0004","90","","102.656","0.003","90","","2191.94","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O8.5 -","- C24 H23 O8.5 -","- C96 H92 O34 -","4","1","","Lin, Yu-Feng; Fong, Chi; Peng, Wan-Ling; Tang, Kuei-Chien; Liang, Yi-En; Li, Wen-Tai","Synthesis of 3-(2-Olefinbenzyl)-4H-chromen-4-one through Cyclobenzylation and Catalytic C-H Bond Functionalization Using Palladium(II).","The Journal of organic chemistry","2017","82","20","10855","10865","10.1021/acs.joc.7b01626","","","1.54178","CuKα","","0.0746","0.0584","","","0.1652","0.1831","","","","","","1.031","","","","has coordinates,has disorder","202719","2020-10-21","18:00:00",""
"4032933","7.787","0.0009","9.1541","0.001","21.398","0.002","90","","90","","90","","1525.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Sandridge, Matthew J.; McLarney, Brett D.; Williams, Corey W.; France, Stefan","α-Alkylidene-γ-butyrolactone Formation via Bi(OTf)3-Catalyzed, Dehydrative, Ring-Opening Cyclizations of Cyclopropyl Carbinols: Understanding Substituent Effects and Predicting E/Z Selectivity.","The Journal of organic chemistry","2017","82","20","10883","10897","10.1021/acs.joc.7b01706","","","0.71073","MoKα","","0.0386","0.0366","","","0.0912","0.0935","","","","","","1.059","","","","has coordinates","202718","2020-10-21","18:00:00",""
"4032934","13.865","0.004","10.825","0.002","9.0227","0.0014","90","","90.53","0.02","90","","1354.1","0.5","287.51","0.1","287.51","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Guo, Xin; Han, Jianwei; Liu, Yafeng; Qin, Mingda; Zhang, Xueguo; Chen, Baohua","Synthesis of 2,3-Disubstituted NH Indoles via Rhodium(III)-Catalyzed C-H Activation of Arylnitrones and Coupling with Diazo Compounds.","The Journal of organic chemistry","2017","82","21","11505","11511","10.1021/acs.joc.7b02105","","x-ray","0.71","MoKα","","0.0502","0.0409","","","0.1013","0.1071","","","","","","1.073","","","","has coordinates","202749","2020-10-21","18:00:00",""
"4032935","10.7119","0.0007","12.3681","0.0007","15.6167","0.001","88.64","0.004","76.819","0.004","85.895","0.004","2009.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O3 S -","- C22 H22.5 N O3 S -","- C88 H90 N4 O12 S4 -","4","2","","Zhang, Jian; Wu, Mingchang; Lu, Wei; Wang, Shuaifeng; Zhang, Yan; Cheng, Cungui; Zhu, Gangguo","Preparation of 2-Amino-5-homoallylfurans via Palladium-Catalyzed Tandem Cycloisomerization/Heck-Type Coupling of Homoallenyl Amides with Allyltrialkylsilanes.","The Journal of organic chemistry","2017","82","20","11134","11140","10.1021/acs.joc.7b02131","","","0.71073","MoKα","","0.1621","0.1264","","","0.2489","0.2606","","","","","","1.63","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032936","9.947","0.007","12.46","0.009","17.683","0.012","90","","94.163","0.012","90","","2186","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Luo, Qianfu; Cao, Fei; Xiong, Chaochao; Dou, Qingyu; Qu, Da-Hui","Hybrid cis/trans Tetra-arylethenes with Switchable Aggregation-Induced Emission (AIE) and Reversible Photochromism in the Solution, PMMA Film, Solid Powder, and Single Crystal.","The Journal of organic chemistry","2017","82","20","10960","10967","10.1021/acs.joc.7b01877","","","0.71073","MoKα","","0.0802","0.0474","","","0.1365","0.1577","","","","","","1.053","","","","has coordinates","202714","2020-10-21","18:00:00",""
"4032937","5.7562","0.0007","11.7478","0.0014","27.37","0.003","90","","90","","90","","1850.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl F N2 O4 -","- C19 H18 Cl F N2 O4 -","- C76 H72 Cl4 F4 N8 O16 -","4","1","","Liu, Yang-Zi; Shang, Shao-Jing; Yang, Wu-Lin; Luo, Xiaoyan; Deng, Wei-Ping","Stereoselective Synthesis of Pyrrolidines Containing a 3-Fluoro Quaternary Stereocenter via Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition.","The Journal of organic chemistry","2017","82","20","11141","11149","10.1021/acs.joc.7b02142","","","0.71073","MoKα","","0.0623","0.0566","","","0.1335","0.1367","","","","","","1.177","","","","has coordinates","202733","2020-10-21","18:00:00",""
"4032938","10.373","0.005","8.148","0.004","11.635","0.006","90","","104.787","0.011","90","","950.8","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1331","0.068","","","0.1302","0.159","","","","","","0.974","","","","has coordinates","202734","2020-10-21","18:00:00",""
"4032939","11.883","0.007","12.219","0.008","14.081","0.008","80.601","0.014","72.761","0.013","62.091","0.013","1724.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17.5 H20.5 Cl1.5 N2 O3 -","- C17.5 H20.5 Cl1.5 N2 O3 -","- C70 H82 Cl6 N8 O12 -","4","2","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1577","0.0863","","","0.2226","0.2507","","","","","","1.311","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032940","13.2066","0.0004","13.9646","0.0004","10.3491","0.0003","90","","114.308","0.0011","90","","1739.42","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O3 S -","- C18 H26 N2 O3 S -","- C72 H104 N8 O12 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0629","","","","0.2437","","","","","","1.01","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032941","9.8135","0.0005","14.7645","0.0008","16.0748","0.0009","90","","99.5803","0.0016","90","","2296.6","0.2","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0479","","","","0.1419","","","","","","1.007","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032942","10.5322","0.0005","17.1636","0.0008","12.8157","0.0007","90","","90.7235","0.0017","90","","2316.5","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0413","","","","0.1388","","","","","","1.001","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032943","13.986","0.005","4.9867","0.0017","18.623","0.008","90","","111.799","0.005","90","","1206","0.8","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C11 H8 B Cl F2 N2 O2 -","- C11 H8 B Cl F2 N2 O2 -","- C44 H32 B4 Cl4 F8 N8 O8 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7824","Synchrotron","","0.1208","0.0872","","","0.2246","0.2622","","","","","","1.058","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032944","8.544","0.003","15.711","0.005","10.064","0.003","90","","97.355","0.005","90","","1339.8","0.8","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B F2 N2 O3 S -","- C13 H11 B F2 N2 O3 S -","- C52 H44 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0375","0.036","","","0.1013","0.1021","","","","","","1.076","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032945","8.6359","0.0017","10.684","0.002","23.378","0.005","90","","90.516","0.009","90","","2156.9","0.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 B F2 N2 O3 S -","- C25 H19 B F2 N2 O3 S -","- C100 H76 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0357","0.034","","","0.0913","0.0923","","","","","","1.025","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032946","30.4109","0.0014","4.9043","0.0003","18.0383","0.0009","90","","122.921","0.003","90","","2258.3","0.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 B F2 N2 O2 S -","- C11 H9 B F2 N2 O2 S -","- C88 H72 B8 F16 N16 O16 S8 -","8","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7813","Synchrotron","","0.0865","0.0433","","","0.0853","0.129","","","","","","1.178","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032947","9.624","0.004","11.522","0.005","12.61","0.006","109.022","0.005","112.19","0.005","98.651","0.007","1162.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 B2 F4 N4 O4 S2 -","- C22 H16 B2 F4 N4 O4 S2 -","- C44 H32 B4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2033","0.0555","","","0.1084","0.1761","","","","","","0.712","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032948","8.896","0.003","31.258","0.01","16.54","0.006","90","","95.79","0.005","90","","4576","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H34 B2 Cl2 F4 N4 O5 S2 -","- C47 H38 B2 Cl2 F4 N4 O6 S2 -","- C188 H152 B8 Cl8 F16 N16 O24 S8 -","4","0.5","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2755","0.0983","","","0.2227","0.3156","","","","","","0.891","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032949","12.0568","0.0008","12.3448","0.001","15.0292","0.0008","76.37","0.011","76.907","0.011","80.343","0.016","2101.9","0.3","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H34 B2 Br0 Cl2 F4 N4 O4 S2 -","- C47 H34 B2 Cl2 F4 N4 O4 S2 -","- C94 H68 B4 Cl4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0362","0.0315","","","0.0881","0.09","","","","","","1.073","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032950","10.3699","0.0003","17.3809","0.0005","12.7667","0.0003","90","","96.43","0.002","90","","2286.57","0.11","294","2","294.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl N2 O6 -","- C23 H23 Cl N2 O6 -","- C92 H92 Cl4 N8 O24 -","4","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","x-ray","0.71073","MoKα","","0.0657","0.0533","","","0.1544","0.1643","","","","","","1.091","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032951","9.196","0.003","10.447","0.003","11.724","0.004","91.395","0.001","110.283","0.005","112.925","0.006","956.3","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","","0.71073","MoKα","","0.0355","0.0335","","","0.0919","0.0933","","","","","","0.933","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032952","39.587","0.005","39.587","0.005","9.49","0.003","90","","90","","120","","12880","5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C432 H396 S36 Se72 Si36 -","18","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0697","0.0366","","","0.077","0.0843","","","","","","1","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032953","6.4642","0.0019","20.855","0.006","27.927","0.008","90","","90.498","0.005","90","","3764.7","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Se3 Si2 -","- C14 H20 Se3 Si2 -","- C112 H160 Se24 Si16 -","8","2","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.1338","0.0577","","","0.1149","0.1307","","","","","","0.923","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032954","16.4144","0.0011","10.1288","0.0007","18.9016","0.0013","90","","114.719","0.001","90","","2854.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Se6 Si2 -","- C24 H22 Se6 Si2 -","- C96 H88 Se24 Si8 -","4","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0611","0.0392","","","0.098","0.1035","","","","","","1.176","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032955","8.5868","0.0003","9.9563","0.0005","14.1824","0.0006","87.05","0.004","88.435","0.003","89.106","0.004","1210.31","0.09","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cl2 N O3 S -","- C25 H23 Cl2 N O3 S -","- C50 H46 Cl4 N2 O6 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","1.54184","CuKα","","0.08","0.0711","","","0.2006","0.2114","","","","","","1.059","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032956","8.3061","0.0005","15.8","0.001","16.4284","0.0011","96.424","0.006","101.261","0.006","103.543","0.006","2027.4","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C100 H84 N4 O12 S4 -","4","2","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.1123","0.0855","","","0.2199","0.2492","","","","","","1.057","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032957","8.5361","0.0008","9.5425","0.0009","12.0411","0.0009","81.946","0.007","83.715","0.007","69.347","0.009","906.82","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C40 H36 N4 O10 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.074","0.0513","","","0.1182","0.1401","","","","","","1.052","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032958","12.0438","0.0011","14.5042","0.0014","22.049","0.003","72.623","0.005","76.291","0.005","77.888","0.005","3530.8","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Benzoxymethoxy Pillerene","","","- C81 H82 O10 -","- C81 H82 O10 -","- C162 H164 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2028","0.1038","","","0.2834","0.3483","","","","","","1.001","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032959","12.791","0.004","20.978","0.007","14.779","0.004","90","","98.582","0.007","90","","3921","2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0801","","","","0.232","","","","","","0.967","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032960","43.045","0.01","21.347","0.005","23.043","0.005","90","","104.773","0.007","90","","20474","8","150","2","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C110 H140 O10 -","- C110 H140 O10 -","- C880 H1120 O80 -","8","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2489","0.148","","","0.3802","0.4289","","","","","","1.094","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032961","16.62","0.003","16.686","0.003","16.858","0.003","95.191","0.007","117.822","0.008","114.325","0.008","3528.1","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.4213","0.1323","","","0.2936","0.4465","","","","","","0.888","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032962","12.31","0.03","16.48","0.04","18.98","0.04","83.427","0.016","80.887","0.014","69.254","0.017","3548","14","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C81 H84 O10 -","- C81 H84 O10 -","- C162 H168 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0892","","","","0.3047","","","","","","1.018","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032963","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032964","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C164 H170 O24 -","- C164 H170 O24 -","- C328 H340 O48 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032965","12.2178","0.001","15.0675","0.0014","20.9593","0.0017","78.186","0.006","85.869","0.006","67.284","0.005","3483.6","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H86 Cl2 O10 -","- C82 H86 Cl2 O10 -","- C164 H172 Cl4 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.1051","","","","0.3493","","","","","","1.293","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032966","14.89","0.008","18.123","0.008","21.671","0.01","81.371","0.006","82.134","0.009","87.707","0.013","5726","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","OctoxyBenzoxyPillerene_3","","","- C119 H158 Cl9 O10 -","- C119 H158 Cl9 O10 -","- C238 H316 Cl18 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.1761","0.111","","","0.3038","0.3479","","","","","","1.042","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032967","15.204","0.005","11.261","0.004","11.977","0.004","90","","99.928","0.008","90","","2019.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Zhao, Yulei; Yuan, Yang; Wang, Xiaoyu; Li, Yanzhong","Synthesis of Polycyclic Benzo[b]indolo[3,2,1-de]acridines via Sequential Allenylation, Diels-Alder Cyclization, and Hydrogen Migration Reaction.","The Journal of organic chemistry","2017","82","20","11198","11205","10.1021/acs.joc.7b01614","","","0.71073","MoKα","","0.0593","0.0444","","","0.1108","0.1193","","","","","","1.032","","","","has coordinates","202726","2020-10-21","18:00:00",""
"4032968","9.15","0.003","13.424","0.004","15.319","0.004","90","","104.868","0.006","90","","1818.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N O -","- C23 H20 F N O -","- C92 H80 F4 N4 O4 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0632","0.0494","","","0.1443","0.1626","","","","","","1.029","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032969","8.439","0.002","22.732","0.006","12.15","0.003","90","","115.339","0.013","90","","2106.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N0 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.1194","0.0794","","","0.2165","0.2501","","","","","","1.038","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032970","8.136","0.011","22.01","0.03","11.172","0.014","90","","106.04","0.02","90","","1923","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C88 H72 Br4 N4 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.093","0.0456","","","0.1079","0.1302","","","","","","0.997","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032971","6.7473","0.0014","11.771","0.003","12.597","0.003","62.242","0.005","77.949","0.006","84.286","0.006","865.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O3 -","- C21 H14 Br N O3 -","- C42 H28 Br2 N2 O6 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0766","0.0477","","","0.1414","0.1943","","","","","","1.019","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032972","8.8342","0.0015","10.3235","0.0018","11.2424","0.0019","90.781","0.004","107.441","0.004","101.41","0.004","955.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Br N O -","- C25 H18 Br N O -","- C50 H36 Br2 N2 O2 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0577","0.0435","","","0.129","0.1723","","","","","","1.013","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032973","6.3872","0.0005","13.6568","0.0009","18.5349","0.0012","90","","90","","90","","1616.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C64 H104 O8 Si4 -","4","1","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0821","0.0462","","","0.0819","0.0916","","","","","","0.982","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032974","6.923","0.0012","9.2252","0.0016","13.527","0.002","85.237","0.007","84.232","0.007","76.806","0.007","835.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C32 H52 O4 Si2 -","2","2","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0593","0.0472","","","0.1167","0.1254","","","","","","0.998","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032975","16.5149","0.0011","14.6947","0.001","9.2256","0.0006","90","","97.975","0.002","90","","2217.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O4 Si -","- C24 H32 O4 Si -","- C96 H128 O16 Si4 -","4","1","","Basak, Shyam; Mal, Dipakranjan","Applications of [4+2] Anionic Annulation and Carbonyl-Ene Reaction in the Synthesis of Anthraquinones, Tetrahydroanthraquinones, and Pyranonaphthoquinones.","The Journal of organic chemistry","2017","82","20","11035","11051","10.1021/acs.joc.7b01987","","","0.71073","MoKα","","0.0757","0.0597","","","0.1648","0.1822","","","","","","1.086","","","","has coordinates","202731","2020-10-21","18:00:00",""
"4032976","11.5351","0.0005","16.0352","0.0007","11.5477","0.0005","90","","116.978","0.003","90","","1903.52","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F2 N2 O5 S -","- C16 H22 F2 N2 O5 S -","- C64 H88 F8 N8 O20 S4 -","4","1","","Soley, Jacob; Chiu, Edmond; Chung, Ryan; Green, Jeremy; Hein, Jason E.; Taylor, Scott D.","Synthesis of β-Ketosulfonamides Derived from Amino Acids and Their Conversion to β-Keto-α,α-difluorosulfonamides via Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","20","11157","11165","10.1021/acs.joc.7b02179","","","0.71073","MoKα","","0.1869","0.0605","","","0.0771","0.094","","","","","","0.992","","","","has coordinates","202729","2020-10-21","18:00:00",""
"4032977","17.635","0.004","13.489","0.003","18.963","0.004","90","0.03","115.43","0.03","90","0.03","4073.8","1.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 F5 N S -","- C24 H18 F5 N S -","- C192 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1152","0.0554","","","0.132","0.1758","","","","","","1.042","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032978","26.646","0.002","8.0632","0.0007","22.2653","0.0018","90","","113.291","0.002","90","","4393.9","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F5 N S -","- C26 H20 F5 N S -","- C208 H160 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.101","0.049","","","0.1218","0.1622","","","","","","1.051","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032979","25.9225","0.0019","8.1786","0.0006","22.3161","0.0017","90","","112.605","0.001","90","","4367.8","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F5 N S -","- C26 H18 F5 N S -","- C208 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.0806","0.0474","","","0.1074","0.1254","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032980","53.283","0.019","10.846","0.004","9.606","0.004","90","","91.686","0.005","90","","5549","4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H22 F5 N S -","- C34 H22 F5 N S -","- C272 H176 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1922","0.0816","","","0.1684","0.2232","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032981","51.849","0.009","10.9446","0.0018","9.8186","0.0015","90","","91.817","0.012","90","","5568.9","1.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 F5 N S -","- C34 H26 F5 N S -","- C272 H208 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1762","0.1","","","0.263","0.3137","","","","","","1.041","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032982","9.7623","0.0016","12.653","0.002","13.845","0.002","69.164","0.002","78.669","0.002","84.175","0.002","1566.2","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 F5 N S2 -","- C32 H20 F5 N S2 -","- C64 H40 F10 N2 S4 -","2","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1114","0.0532","","","0.1177","0.1437","","","","","","1.009","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032983","17.456","0.002","9.1464","0.0009","7.771","0.0011","90","","97.656","0.012","90","","1229.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","","0.71073","MoKα","","0.0906","0.0533","","","0.1098","0.1284","","","","","","1.038","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032984","9.919","0.0009","10.0507","0.0009","16.6196","0.0018","90","","97.173","0.008","90","","1643.9","0.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","x-ray","0.71073","MoKα","","0.0861","0.0512","","","0.1088","0.1278","","","","","","1.044","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032985","11.1863","0.0005","11.1863","0.0005","6.106","0.0003","90","","90","","120","","661.7","0.05","100","","100","","","","","","","","","3","P 32","P 32","145","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C30 H36 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.028","0.0276","","","0.0698","0.07","","","","","","1.031","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032986","7.7296","0.0003","7.7296","0.0003","18.3472","0.0009","90","","90","","120","","949.32","0.07","290","","290","","","","","","","","","4","P 32","P 32","145","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C42 H57 N3 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.0309","0.0307","","","0.08","0.0801","","","","","","0.986","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032987","9.3182","0.0004","9.6671","0.0005","13.948","0.0007","71.774","0.003","71.026","0.003","61.633","0.003","1026.41","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O3 S -","- C23 H27 N O3 S -","- C46 H54 N2 O6 S2 -","2","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0439","0.0392","","","0.1048","0.1105","","","","","","0.887","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032988","11.726","0.006","25.881","0.012","6.436","0.003","90","","90","","90","","1953.2","1.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0681","0.0467","","","0.1125","0.1282","","","","","","0.873","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032989","10.3792","0.0008","21.1918","0.0016","10.5653","0.0008","90","","116.235","0.002","90","","2084.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N O3 S -","- C22 H24 Cl N O3 S -","- C88 H96 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0591","0.0437","","","0.1109","0.1194","","","","","","1.037","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032990","8.1794","0.0007","33.379","0.003","7.782","0.0007","90","","104.036","0.004","90","","2061.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0666","0.0481","","","0.1215","0.1325","","","","","","1.01","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032991","13.4105","0.0008","8.0327","0.0004","18.4137","0.0011","90","","102.93","0.002","90","","1933.28","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0818","0.0568","","","0.1171","0.1294","","","","","","1.035","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032992","13.0445","0.0006","7.8561","0.0004","20.2474","0.0012","90","","107.757","0.002","90","","1976.08","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N O3 S -","- C22 H22 Cl N O3 S -","- C88 H88 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0387","0.0341","","","0.0921","0.0966","","","","","","1.048","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032993","10.413","0.0007","10.5191","0.0007","12.1153","0.0006","96.996","0.005","115.161","0.006","109.448","0.006","1077.34","0.15","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C54 H44 N4 O6 -","2","1","","Zhang, Bing; Wang, Tao; Zhang, Zunting","Gold-Catalyzed Synthesis of 1-(Furan-3-yl)-1,2-diones.","The Journal of organic chemistry","2017","82","21","11644","11654","10.1021/acs.joc.7b01997","","","1.54178","CuKα","","0.0474","0.0412","","","0.1159","0.122","","","","","","1.059","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032994","20.693","0.003","36.935","0.001","23.506","0.002","90","","107.018","0.003","90","","17179","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C163 H245.65 N16 O19.5 -","- C163 H245.65 N16 O19.5 -","- C652 H982.6 N64 O78 -","4","1","","Teixeira, Filipa A.; Marcos, Paula M.; Ascenso, José R; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Selective Binding of Spherical and Linear Anions by Tetraphenyl(thio)urea-Based Dihomooxacalix[4]arene Receptors.","The Journal of organic chemistry","2017","82","21","11383","11390","10.1021/acs.joc.7b01801","","","0.85","","","0.1481","0.1389","","","0.3624","0.3705","","","","","","1.062","","","","has coordinates,has disorder","202744","2020-10-21","18:00:00",""
"4032995","8.0101","0.0002","19.8721","0.0005","7.4121","0.0002","90","","111.141","0.001","90","","1100.43","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Cl3 N2 O -","- C10 H5 Cl3 N2 O -","- C40 H20 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0529","0.0383","","","0.0928","0.1091","","","","","","1.074","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032996","7.4103","0.0003","8.3251","0.0003","9.0266","0.0003","86.17","0.002","83.778","0.002","80.605","0.003","545.47","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C18 H8 Cl6 N6 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0689","0.0498","","","0.0991","0.115","","","","","","1.012","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032997","41.9318","0.0018","10.6612","0.0005","9.9175","0.0004","90","","90","","90","","4433.6","0.3","173","","173","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C144 H64 Cl48 N48 O16 -","16","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0555","0.0412","","","0.0865","0.0989","","","","","","1.01","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032998","7.42034","0.00013","21.1494","0.0004","7.77399","0.00015","90","","90.237","0.0012","90","","1220.01","0.04","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Cl3 N2 O -","- C11 H7 Cl3 N2 O -","- C44 H28 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0427","0.0346","","","0.0863","0.1","","","","","","1.056","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032999","8.1387","0.0003","9.4496","0.0003","20.2855","0.0008","90","","101.92","0.002","90","","1526.47","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Cl3 N2 O -","- C16 H9 Cl3 N2 O -","- C64 H36 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1377","0.0737","","","0.1379","0.1931","","","","","","1.073","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033000","6.79356","0.00016","8.7199","0.0002","11.4031","0.0003","83.3108","0.0015","77.0843","0.0015","85.4068","0.0014","652.92","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 O -","- C12 H9 Cl3 N2 O -","- C24 H18 Cl6 N4 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1638","0.0836","","","0.1459","0.209","","","","","","1.352","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033001","11.8833","0.0002","13.2072","0.0002","14.4036","0.0003","65.5529","0.001","74.6958","0.0009","85.3427","0.0011","1983.91","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl3 N2 O -","- C22 H13 Cl3 N2 O -","- C88 H52 Cl12 N8 O4 -","4","2","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","","0.0694","","","","0.2375","","","","","","1.845","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033002","10.261","0.005","10.261","0.005","18.417","0.005","90","0.005","90","0.005","90","0.005","1939.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rk","","","- C25 H18 N2 S -","- C25 H18 N2 S -","- C100 H72 N8 S4 -","4","1","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0887","0.0529","","","0.1265","0.152","","","","","","0.915","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033003","19.569","0.005","7.808","0.005","24.645","0.005","90","0.005","95.082","0.005","90","0.005","3751","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C184 H168 N24 O16 -","8","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.1331","0.0816","","","0.2041","0.2416","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033004","9.405","0.015","9.59","0.02","9.93","0.013","76.25","0.16","85.06","0.12","86.46","0.16","866","3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0845","0.0514","","","0.0545","0.1773","","","","","","0.983","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033005","14.2174","0.0005","5.7053","0.0002","31.5369","0.0011","90","","90","","90","","2558.1","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","","Chen, Yu-Feng; Chen, Jing; Lin, Li-Jen; Chuang, Gary Jing","Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzene.","The Journal of organic chemistry","2017","82","21","11626","11630","10.1021/acs.joc.7b01887","","","0.71073","MoKα","","0.0383","0.0267","","","0.067","0.0952","","","","","","1.176","","","","has coordinates","202762","2020-10-21","18:00:00",""
"4033006","11.9896","0.0014","8.0336","0.0009","14.0539","0.0016","90","","98.25","0.002","90","","1339.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 N O4 -","- C15 H11 F2 N O4 -","- C60 H44 F8 N4 O16 -","4","1","","Li, Jiaheng; Xu, Cong; Wei, Na; Wang, Mang","Synthesis of 2,2-Difluorinated 4-Isoflavanols/4-Thioisoflavanols via a Base-Catalyzed [4 + 2] Annulation Reaction of gem-Difluoroolefins.","The Journal of organic chemistry","2017","82","21","11348","11357","10.1021/acs.joc.7b01635","","","0.71073","MoKα","","0.055","0.044","","","0.1129","0.1207","","","","","","1.037","","","","has coordinates","202746","2020-10-21","18:00:00",""
"4033007","15.5352","0.0011","7.2602","0.0005","23.4507","0.0017","90","","90","","90","","2645","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 O -","- C14 H10 Br N3 O -","- C112 H80 Br8 N24 O8 -","8","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0855","0.0447","","","0.0953","0.1077","","","","","","1.045","","","","has coordinates","202750","2020-10-21","18:00:00",""
"4033008","6.8573","0.0006","11.8742","0.001","19.7672","0.0019","90","","90","","90","","1609.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0657","0.0415","","","0.0867","0.0995","","","","","","1.043","","","","has coordinates,has disorder","202750","2020-10-21","18:00:00",""
"4033009","12.141","0.006","16.578","0.008","15.645","0.008","90","","111.516","0.007","90","","2929","3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Chen, Ke; Liu, Shuai; Wang, Dan; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Silver/Scandium-Cocatalyzed Bicyclization of β-Alkynyl Ketones Leading to Benzo[c]xanthenes and Naphtho[1,2-b]benzofurans.","The Journal of organic chemistry","2017","82","21","11524","11530","10.1021/acs.joc.7b02134","","","0.71073","MoKα","","0.1523","0.0505","","","0.0684","0.0786","","","","","","0.941","","","","has coordinates","202752","2020-10-21","18:00:00",""
"4033010","5.5783","0.0006","25.05","0.003","25.622","0.003","90","","90","","90","","3580.3","0.7","99","2","99","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N3 O10 -","- C40 H31 N3 O10 -","- C160 H124 N12 O40 -","4","1","","Neralkar, Mahesh; Mishra, Bijoyananda; Hotha, Srinivas","Nucleofuge Generating Glycosidations by the Remote Activation of Hydroxybenzotriazolyl Glycosides.","The Journal of organic chemistry","2017","82","21","11494","11504","10.1021/acs.joc.7b02027","","","0.71073","MoKα","","0.1757","0.0782","","","0.1851","0.2318","","","","","","1.122","","","","has coordinates","202742","2020-10-21","18:00:00",""
"4033011","18.6401","0.0012","14.9843","0.001","12.6094","0.0009","90","","112.356","0.003","90","","3257.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N2 S -","- C17 H17 Br N2 S -","- C136 H136 Br8 N16 S8 -","8","1","","Pathak, Ambika; Justin Thomas, K. R.; Singh, Meenu; Jou, Jwo-Huei","Fine-Tuning of Photophysical and Electroluminescence Properties of Benzothiadiazole-Based Emitters by Methyl Substitution.","The Journal of organic chemistry","2017","82","21","11512","11523","10.1021/acs.joc.7b02127","","","0.71073","MoKα","","0.1207","0.0434","","","0.1067","0.1435","","","","","","0.987","","","","has coordinates","202747","2020-10-21","18:00:00",""
"4033012","7.341","","10.055","","21.981","","90","","90","","90","","1622.5","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O9 -","- C17 H18 O9 -","- C68 H72 O36 -","4","1","","Padiyar, Laxmansingh T.; Zulueta, Medel Manuel L.; Sabbavarapu, Narayana Murthy; Hung, Shang-Cheng","Yb(OTf)3-Catalyzed Desymmetrization of myo-Inositol 1,3,5-Orthoformate and Its Application in the Synthesis of Chiral Inositol Phosphates.","The Journal of organic chemistry","2017","82","21","11418","11430","10.1021/acs.joc.7b01919","","","0.71073","MoKα","","0.0458","0.0362","","","0.0714","0.0766","","","","","","1.04","","","","has coordinates","202754","2020-10-21","18:00:00",""
"4033013","11.5153","0.0008","14.7212","0.001","17.6408","0.0012","90","","102.172","0.001","90","","2923.2","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N3 O5 -","- C34 H35 N3 O5 -","- C136 H140 N12 O20 -","4","1","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54178","CuKα","","0.0345","0.0302","","","0.0783","0.0801","","","","","","1.07","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033014","11.4675","0.0003","17.311","0.0004","23.6038","0.0006","82.207","0.0018","89.031","0.002","82.4628","0.0019","4602.3","0.2","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 Br N3 O5 -","- C34 H34 Br N3 O5 -","- C204 H204 Br6 N18 O30 -","6","6","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54184","CuKα","","0.0688","0.0654","","","0.1671","0.1719","","","","","","1.026","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033015","14.0424","0.0008","17.427","0.0008","20.7378","0.0009","90","","90","","90","","5074.9","0.4","293","0.2","293","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C264 H200 O16 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.0975","0.057","","","0.1211","0.1499","","","","","","1.058","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033016","18.1366","0.001","13.9563","0.0006","19.6941","0.0009","90","","90","","90","","4985","0.4","288.78","0.1","288.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C264 H200 O24 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.1169","0.0634","","","0.1245","0.1585","","","","","","1.046","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033017","6.823","0.0004","26.0046","0.0016","7.2754","0.0005","90","","107.175","0.0013","90","","1233.31","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PP0661","","","- C11 H13 Br Cl N S -","- C11 H13 Br Cl N S -","- C44 H52 Br4 Cl4 N4 S4 -","4","2","","Parker, Patrick D.; Lemercier, Bérénice C.; Pierce, Joshua G.","Synthesis of Quaternary-Substituted Thiazolines via Halocyclization of S-Allyl Thioimidate Salts","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02299","","","0.71073","MoKα","","0.0714","0.0588","","","0.1433","0.1509","","","","","","1.016","","","","has coordinates","202281","2020-10-21","18:00:00",""
"4033018","13.409","0.003","22.975","0.005","14.825","0.003","90","","90.869","0.003","90","","4566.6","1.7","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H10 Cl2 F6 Li N O4 S2 -","- C75.9963 H9.9926 Cl1.9926 F6 Li N O4 S2 -","- C303.985 H39.9704 Cl7.9704 F24 Li4 N4 O16 S8 -","4","1","","Ueno, Hiroshi; Okada, Hiroshi; Aoyagi, Shinobu; Matsuo, Yutaka","Synthesis and Crystal Structure of Li(+)@Fluoreno[60]fullerene: Effect of Encapsulated Lithium Ion on Electrochemistry of Spiroannelated Fullerene.","The Journal of organic chemistry","2017","82","21","11631","11635","10.1021/acs.joc.7b01893","","","0.71075","MoKα","","0.0601","0.0482","","","0.1374","0.1506","","","","","","1.069","","","","has coordinates,has disorder","202753","2020-10-21","18:00:00",""
"4033019","26.35","0.005","12.971","0.003","26.783","0.005","90","","117.97","0.03","90","","8085","4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C21 H28 Br N O -","- C21 H28 Br N O -","- C336 H448 Br16 N16 O16 -","16","4","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.149","0.1055","","","0.1851","0.2035","","","","","","1.207","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4033020","7.6298","0.0015","8.2139","0.0016","13.786","0.003","85.2","0.03","78.12","0.03","89.03","0.03","842.5","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O -","- C20 H18 Cl N O -","- C40 H36 Cl2 N2 O2 -","2","1","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.0552","0.0519","","","0.1474","0.1505","","","","","","1.105","","","","has coordinates","202757","2020-10-21","18:00:00",""
"4033021","14.3407","0.0004","12.2598","0.0004","25.881","0.0008","90","","90","","90","","4550.2","0.2","103.4","","103.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C200 H248 N8 O40 -","8","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0438","0.0389","","","0.0957","0.0995","","","","","","1.038","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033022","10.838","0.0002","10.16461","0.00019","19.4057","0.0004","90","","105.682","0.002","90","","2058.23","0.07","102.8","","102.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0426","0.0393","","","0.0982","0.1009","","","","","","1.054","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033023","5.71","0.002","9.405","0.003","20.359","0.007","88.572","0.006","88.944","0.006","76.822","0.006","1064.1","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl O2 P -","- C27 H22 Cl O2 P -","- C54 H44 Cl2 O4 P2 -","2","1","","Shan, Changkai; Chen, Fushan; Pan, Jiaoting; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Zn(OTf)2-Catalyzed Phosphinylation of Propargylic Alcohols: Access to γ-Ketophosphine Oxides.","The Journal of organic chemistry","2017","82","21","11659","11666","10.1021/acs.joc.7b02164","","","0.71073","MoKα","","0.0676","0.0554","","","0.1344","0.1426","","","","","","1.081","","","","has coordinates","202748","2020-10-21","18:00:00",""
"4033024","14.49","0.003","11.438","0.003","20.816","0.004","90","","90","","90","","3450","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Zhao, Xiaoyuan; Zhang, Yong; Deng, Jun; Zhang-Negrerie, Daisy; Du, Yunfei","TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization, Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of Pyrrolin-4-ones and Highly Substituted Pyrroles.","The Journal of organic chemistry","2017","82","23","12682","12690","10.1021/acs.joc.7b02491","","","0.71073","MoKα","","0.0686","0.0541","","","0.1291","0.1381","","","","","","1.062","","","","has coordinates","204862","2020-10-21","18:00:00",""
"4033025","18.3954","0.0006","10.8878","0.0004","19.5641","0.0007","90","","94.55","0.003","90","","3906.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F3 N O4.5 P -","- C17 H24 F3 N O4.5 P -","- C136 H192 F24 N8 O36 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.0635","0.056","","","0.1429","0.15","","","","","","1.036","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033026","10.2112","0.0002","17.8559","0.0005","21.0675","0.0004","90","","90","","90","","3841.24","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 F3 N O4 P -","- C17 H23 F3 N O4 P -","- C136 H184 F24 N8 O32 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.041","0.0394","","","0.1051","0.1071","","","","","","1.006","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033027","13.433","0.001","8.4143","0.0006","20.157","0.0014","90","","90.985","0.007","90","","2278","0.3","293","2","293","2","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","","Unknown","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0708","0.0483","","","0.1185","0.1335","","","","","","1.094","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033028","12.2788","0.0005","13.5044","0.0005","15.3335","0.0004","105.77","0.003","110.274","0.003","90.739","0.003","2279.07","0.15","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O4 S -","- C29 H25 N O4 S -","- C116 H100 N4 O16 S4 -","4","2","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0806","0.0542","","","0.148","0.1576","","","","","","0.97","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033029","5.0386","0.0003","24.2827","0.0013","12.1901","0.0006","90","","94.863","0.004","90","","1486.1","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Lepitre, Thomas; Denhez, Clement; Moncol, Jan; Othman, Mohamed; Lawson, Ata Martin; Daïch, Adam","Structure-Based Kinetic Control in a Domino Process: A Powerful Tool Toward Molecular Diversity in Chromone Series.","The Journal of organic chemistry","2017","82","23","12188","12201","10.1021/acs.joc.7b01996","","","1.54186","CuKα","","0.0532","0.0456","","","0.1187","0.1224","","","","","","1.035","","","","has coordinates,has disorder","204857","2020-10-21","18:00:00",""
"4033030","4.9377","0.0008","11.3507","0.0019","18.673","0.003","72.387","0.003","88.787","0.003","85.279","0.004","994.1","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","","","- C23 H17 I N2 O3 -","- C23 H17 I N2 O3 -","- C46 H34 I2 N4 O6 -","2","2","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0982","0.0407","","","0.0456","0.0569","","","","","","0.922","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033031","5.0548","0.0007","8.0834","0.001","37.866","0.005","90","","90","","90","","1547.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 I N2 O3 -","- C17 H13 I N2 O3 -","- C68 H52 I4 N8 O12 -","4","1","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0392","0.0363","","","0.0828","0.0841","","","","","","1.121","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033032","31.771","0.002","7.3683","0.0006","16.5063","0.0011","90","","100.174","0.006","90","","3803.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O -","- C26 H23 N O -","- C208 H184 N8 O8 -","8","1","","Wojcik, Laurianne; Michaud, François; Gauthier, Sébastien; Cabon, Nolwenn; Le Poul, Pascal; Gloaguen, Frederic; Le Poul, Nicolas","Reversible Redox Switching of Chromophoric Phenylmethylenepyrans by Carbon-Carbon Bond Making/Breaking.","The Journal of organic chemistry","2017","82","23","12395","12405","10.1021/acs.joc.7b02199","","x-ray","0.71073","MoKα","","0.0938","0.0551","","","0.1075","0.1257","","","","","","1.058","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4033033","10.2518","0.0003","11.019","0.0003","11.4871","0.0003","84.87","0.001","86.994","0.001","86.549","0.001","1288.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-(benzylamino)furo[2,3-c]pyridazin-6-yl)ethan-1-ol","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","","Ganley, Jacob M.; Waller, David L.","Synthesis of Furo[2,3-c]pyridazines via Tandem Transition-Metal Catalysis.","The Journal of organic chemistry","2017","82","23","12740","12745","10.1021/acs.joc.7b01819","","","1.54178","CuKα","","0.0414","0.0367","","","0.0886","0.092","","","","","","1.04","","","","has coordinates","204836","2020-10-21","18:00:00",""
"4033034","7.59159","0.00019","20.3087","0.0003","21.5684","0.0004","90","","90","","90","","3325.32","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 N2 O5 -","- C35 H46 N2 O5 -","- C140 H184 N8 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.5418","CuKα","","0.0657","0.0631","","0.1824","0.1771","0.1822","","","","","","0.9538","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033035","7.10434","0.00019","10.684","0.0003","11.6324","0.0004","82.814","0.003","75.572","0.002","76.583","0.002","829.62","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","1","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.54184","CuKα","","0.037","0.0356","","0.0959","0.094","0.0956","","","","","","0.9992","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033036","7.2555","0.0004","6.3055","0.0004","19.0027","0.001","90","","96.908","0.005","90","","863.05","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Zhi, Wubin; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie","Palladium-Catalyzed Diastereoselective Synthesis of 3-Arylbutanoic Acid Derivatives.","The Journal of organic chemistry","2017","82","23","12286","12293","10.1021/acs.joc.7b02104","","x-ray","1.54184","CuKα","","0.0382","0.035","","","0.0904","0.0942","","","","","","1.029","","","","has coordinates","204845","2020-10-21","18:00:00",""
"4033037","16.35","0.003","5.9252","0.0012","17.079","0.003","90","","115.06","0.03","90","","1498.8","0.6","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 B N -","- C15 H26 B N -","- C60 H104 B4 N4 -","4","1","","Mateo, Pierre; Cinqualbre, Joséphine E; Meyer Mojzes, Melinda; Schenk, Kurt; Renaud, Philippe","Reductive Alkylation of Tertiary Lactams via Addition of Organocopper (RCu) Reagents to Thioiminium Ions.","The Journal of organic chemistry","2017","82","23","12318","12327","10.1021/acs.joc.7b02150","","x-ray","0.71073","MoKα","","0.1305","0.0705","","","0.1799","0.2107","","","","","","1.027","","","","has coordinates","204848","2020-10-21","18:00:00",""
"4033038","5.7278","0.0006","17.5633","0.0019","21.791","0.002","90","","90","","90","","2192.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C92 H124 O8 P4 -","4","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.1436","0.0522","","","0.1184","0.1655","","","","","","0.669","","","","has coordinates","204849","2020-10-21","18:00:00",""
"4033039","12.4777","0.0011","5.797","0.0007","15.419","0.0019","90","","100.727","0.001","90","","1095.8","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C46 H62 O4 P2 -","2","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.0877","0.0658","","","0.1567","0.1697","","","","","","0.89","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4033040","5.5617","0.0002","9.7074","0.0004","10.4167","0.0003","88.569","0.002","85.582","0.002","77.614","0.002","547.65","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0441","0.0401","","","0.1005","0.1031","","","","","","1.091","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033041","9.5142","0.0002","9.6019","0.0003","10.1754","0.0002","63.556","0.001","71.826","0.002","68.914","0.001","763.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 Cl N2 O6 -","- C12 H23 Cl N2 O6 -","- C24 H46 Cl2 N4 O12 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","0.71073","MoKα","","0.0324","0.0314","","","0.0783","0.0792","","","","","","1.035","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033042","10.2719","0.0003","10.6899","0.0003","16.9891","0.0005","90","","90","","90","","1865.5","0.09","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C48 H112 Cl8 N8 O32 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0329","0.0324","","","0.0793","0.0799","","","","","","1.103","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033043","9.0352","0.0003","10.3936","0.0003","19.7212","0.0006","90","","100.661","0.003","90","","1820.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","Bai, Peirong; Sun, Suyan; Li, Zexian; Qiao, Huijie; Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Ru/Cu Photoredox or Cu/Ag Catalyzed C4-H Sulfonylation of 1-Naphthylamides at Room Temperature.","The Journal of organic chemistry","2017","82","23","12119","12127","10.1021/acs.joc.7b01917","","x-ray","1.54184","CuKα","","0.0491","0.0413","","","0.1047","0.1127","","","","","","1.051","","","","has coordinates","204866","2020-10-21","18:00:00",""
"4033044","18.263","0.003","18.263","0.003","61.044","0.009","90","","90","","90","","20360","6","173.15","","173.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C65 H41 N5 -","- C65 H41 N5 -","- C1040 H656 N80 -","16","","","Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator.","The Journal of organic chemistry","2017","82","23","12106","12111","10.1021/acs.joc.7b01864","","","0.71073","MoKα","","0.1372","0.1042","","","0.2564","0.2727","","","","","","1.449","","","","has coordinates","204835","2020-10-21","18:00:00",""
"4033045","12.3456","0.0009","8.7625","0.0005","19.7466","0.0014","90","","101.307","0.003","90","","2094.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C17 H12 N O3 -","- C102 H72 N6 O18 -","6","3","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.1142","0.0548","","","0.1262","0.1493","","","","","","1.028","","","","has coordinates","202602","2020-10-21","18:00:00",""
"4033046","9.0459","0.0006","15.6351","0.0012","24.8362","0.0014","90","","90","","90","","3512.7","0.4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H14 Br N O6 -","- C18 H14 Br N O6 -","- C144 H112 Br8 N8 O48 -","8","1","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.0752","0.0376","","","0.0671","0.076","","","","","","0.974","","","","has coordinates","202603","2020-10-21","18:00:00",""
"4033047","8.3051","0.0004","10.1444","0.0005","12.8453","0.0005","90","","91.577","0.003","90","","1081.81","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","1","0.25","","Zhao, Qinglan; Xiang, Haoyue; Xiao, Jun-An; Xia, Peng-Ju; Wang, Jun-Jie; Chen, Xiaoqing; Yang, Hua","Selectfluor-Triggered Tandem Cyclization of o-Hydroxyarylenaminones To Access Difluorinated 2-Amino-Substituted Chromanones.","The Journal of organic chemistry","2017","82","18","9837","9843","10.1021/acs.joc.7b01339","","","0.71073","MoKα","","0.0479","0.0363","","","0.0953","0.104","","","","","","1.041","","","","has coordinates","202604","2020-10-21","18:00:00",""
"4033048","4.2219","0.0002","16.5496","0.0008","20.8964","0.0009","90","","91.288","0.004","90","","1459.68","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","","- C17 H12 Br Cl O3 -","- C17 H12 Br Cl O3 -","- C68 H48 Br4 Cl4 O12 -","4","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0699","0.0443","","","0.0921","0.1047","","","","","","1.023","","","","has coordinates","202605","2020-10-21","18:00:00",""
"4033049","8.7526","0.0004","9.017","0.0004","19.8984","0.0007","90.101","0.002","90.003","0.002","102.3","0.002","1534.37","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br Cl O4 -","- C15 H14 Br Cl O4 -","- C60 H56 Br4 Cl4 O16 -","4","2","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.1185","0.0433","","","0.0819","0.1004","","","","","","0.973","","","","has coordinates","202606","2020-10-21","18:00:00",""
"4033050","7.704","0.005","9.207","0.005","16.462","0.005","92.799","0.005","102.322","0.005","90.028","0.005","1139.3","1","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C50 H56 O16 -","2","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0696","0.0452","","","0.1133","0.1292","","","","","","1.035","","","","has coordinates","202607","2020-10-21","18:00:00",""
"4033051","8.366","0.003","10.586","0.004","18.446","0.006","90","","90","","90","","1633.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2447","0.0667","","","0.1175","0.1674","","","","","","0.809","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033052","12.846","0.002","7.3513","0.0009","13.544","0.002","90","","116.45","0.02","90","","1145.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C48 H64 Cl4 N4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1542","0.0743","","","0.1912","0.2366","","","","","","0.879","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033053","9.5079","0.0003","9.5079","0.0003","32.2672","0.0019","90","","90","","120","","2526.16","0.19","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C120 H120 F6 N6 O6 -","6","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2139","0.0553","","","0.0842","0.1142","","","","","","0.811","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033054","6.143","0.003","9.618","0.003","55.166","0.013","90","","90","","90","","3259","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C160 H160 F8 N8 O8 -","8","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1855","0.0755","","","0.1376","0.1854","","","","","","0.796","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033055","13.9502","0.0016","7.9101","0.0009","11.5513","0.0015","90","","104.996","0.004","90","","1231.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F2 O4 -","- C13 H12 F2 O4 -","- C52 H48 F8 O16 -","4","1","","Sha, Wanxing; Zhang, Wenzhong; Ni, Shengyang; Mei, Haibo; Han, Jianlin; Pan, Yi","Photoredox-Catalyzed Cascade Difluoroalkylation and Intramolecular Cyclization for Construction of Fluorinated γ-Butyrolactones.","The Journal of organic chemistry","2017","82","18","9824","9831","10.1021/acs.joc.7b01279","","","0.71073","MoKα","","0.0448","0.0376","","","0.0948","0.0994","","","","","","1.034","","","","has coordinates","202609","2020-10-21","18:00:00",""
"4033056","8.8364","0.0004","9.5204","0.0004","13.5931","0.0005","81.065","0.002","87.232","0.002","78.031","0.002","1104.95","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N2 O5 -","- C27 H18 N2 O5 -","- C54 H36 N4 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","Iodine-Catalyzed Regioselective Synthesis of Multisubstiuted Pyrrole Polyheterocycles Free from Rotamers and Keto-Enol Tautomers.","The Journal of organic chemistry","2017","82","18","9360","9366","10.1021/acs.joc.7b01538","","","0.71073","MoKα","","0.0673","0.0427","","","0.1104","0.1256","","","","","","0.977","","","","has coordinates","202610","2020-10-21","18:00:00",""
"4033057","6.269","0.0003","27.3913","0.0011","7.1608","0.0004","90","","113.19","0.006","90","","1130.28","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0647","0.0491","","","0.1119","0.1245","","","","","","0.995","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033058","6.1751","0.0006","13.4968","0.0011","13.5761","0.0007","90","","90.834","0.007","90","","1131.37","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0937","0.0611","","","0.1511","0.1695","","","","","","1.115","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033059","6.7453","0.0005","11.8927","0.001","14.4914","0.0013","90","","101.28","0.009","90","","1140.04","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.099","0.0642","","","0.1514","0.1774","","","","","","0.895","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033060","6.1762","0.0004","15.9914","0.0007","7.1677","0.0004","90","","114.107","0.007","90","","646.18","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0591","0.0483","","","0.1314","0.1418","","","","","","0.894","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033061","8.2539","0.0006","9.3035","0.0006","15.4181","0.001","94.023","0.003","94.343","0.003","95.709","0.003","1171.1","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","KSH-2733","","","- C26 H23 Br N2 O2 S -","- C26 H23 Br N2 O2 S -","- C52 H46 Br2 N4 O4 S2 -","2","1","","Kim, Sanghyuck; Kim, Hyunseok; Um, Kyusik; Lee, Phil Ho","Synthesis of Azepinoindoles via Rhodium-Catalyzed Formal Aza-[4 + 3] Cycloaddition Reaction of 3-Diazoindolin-2-imines with 1,3-Dienes in One-Pot.","The Journal of organic chemistry","2017","82","18","9808","9815","10.1021/acs.joc.7b01150","","","0.71073","","","0.1653","0.1524","","","0.3515","0.3597","","","","","","0.861","","","","has coordinates","202612","2020-10-21","18:00:00",""
"4033062","7.937","0.003","9.671","0.004","11.189","0.004","82.485","0.009","77.888","0.008","74.91","0.017","808.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Mehl, Lea-Marina; Maier, Martin E.","A Radical-Based Synthesis of Lingzhiol.","The Journal of organic chemistry","2017","82","18","9844","9850","10.1021/acs.joc.7b01416","","","0.71073","MoKα","","0.0434","0.0385","","","0.1026","0.1068","","","","","","1.041","","","","has coordinates","202613","2020-10-21","18:00:00",""
"4033063","8.8975","0.0006","9.7369","0.0005","10.996","0.0009","96.23","0.006","112.79","0.007","112.251","0.006","775.65","0.12","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Cheng, Guolin; Xue, Lulu; Weng, Yunxiang; Cui, Xiuling","Transition-Metal-Free Cascade Approach toward 2-Alkoxy/2-Sulfenylpyridines and Dihydrofuro[2,3-b]pyridines by Trapping In Situ Generated 1,4-Oxazepine.","The Journal of organic chemistry","2017","82","18","9515","9524","10.1021/acs.joc.7b01541","","","1.54184","CuKα","","0.0485","0.0409","","","0.11","0.1164","","","","","","1.05","","","","has coordinates","202614","2020-10-21","18:00:00",""
"4033064","14.4488","0.0013","7.0914","0.0006","12.1819","0.0011","90","","96.893","0.001","90","","1239.16","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0456","0.0365","","","0.089","0.0951","","","","","","1.039","","","","has coordinates","202615","2020-10-21","18:00:00",""
"4033065","8.1826","0.0003","11.3714","0.0006","12.6284","0.0007","73.609","0.005","85.465","0.004","89.729","0.004","1123.57","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Z)-ethyl 3-((methoxycarbonyl)amino)-4-methyl-2-(3-(4-nitrophenyl)- 5-oxoisoxazol-4(5H)-ylidene)-2,3-dihydrothiazole-5-carboxylate compound with methanol (1:1)","","- C19 H20 N4 O9 S -","- C19 H20 N4 O9 S -","- C38 H40 N8 O18 S2 -","2","1","","Santeusanio, Stefania; Majer, Roberta; Perrulli, Francesca Romana; De Crescentini, Lucia; Favi, Gianfranco; Giorgi, Gianluca; Mantellini, Fabio","Divergent Approach to Thiazolylidene Derivatives: A Perspective on the Synthesis of a Heterocyclic Skeleton from β-Amidothioamides Reactivity.","The Journal of organic chemistry","2017","82","18","9773","9778","10.1021/acs.joc.7b02135","","","0.71073","MoKα","","0.0708","0.043","","","0.1074","0.1146","","","","","","0.957","","","","has coordinates,has disorder","202616","2020-10-21","18:00:00",""
"4033066","5.575","0.006","10.617","0.012","10.854","0.012","88.562","0.019","89.239","0.019","77.545","0.018","627.1","1.2","298","1","298","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0921","0.0718","","","0.2009","0.2288","","","","","","0.961","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033067","5.631","0.001","7.857","0.002","41.046","0.008","90","","90","","90","","1816","0.7","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O -","- C24 H26 O -","- C96 H104 O4 -","4","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0718","0.0654","","","0.1488","0.1528","","","","","","1.167","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033068","23.131","0.004","8.671","0.002","13.663","0.002","90","","104.576","0.003","90","","2652.2","0.9","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O -","- C17 H20 O -","- C136 H160 O8 -","8","2","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.079","0.0679","","","0.1404","0.1459","","","","","","1.168","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033069","11.742","0.002","5.365","0.002","29.118","0.006","90","","93.44","0.03","90","","1831","0.8","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Di(4'-methoxyphenyl)anilinium chloride","","- C20 H22 Cl N O3 -","- C20 H22 Cl N O3 -","- C80 H88 Cl4 N4 O12 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.0616","0.0518","","","0.1283","0.1325","","","","","","1.212","","","","has coordinates","202618","2020-10-21","18:00:00",""
"4033070","7.4384","0.0008","11.371","0.0008","22.6158","0.0019","90","","90","","90","","1912.9","0.3","208","2","208","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Di(4'-methoxyphenyl)anilinium perchlorate","","- C20 H20 Cl N O6 -","- C20 H20 Cl N O6 -","- C80 H80 Cl4 N4 O24 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.044","0.0374","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","202619","2020-10-21","18:00:00",""
"4033071","9.8054","0.0019","10.1259","0.0019","10.558","0.002","89.345","0.003","88.968","0.004","70.63","0.003","988.8","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C42 H46 N6 O8 -","2","1","","Cheng, Bin; Wei, Jian; Zu, Bing; Zhao, Jianfei; Wang, Taimin; Duan, Xiaoguang; Wang, Renqi; Li, Yun; Zhai, Hongbin","A Chemoselective N-Arylation Reaction of 2-Aminopyridine Derivatives with Arynes.","The Journal of organic chemistry","2017","82","18","9410","9417","10.1021/acs.joc.7b01405","","","0.71073","MoKα","","0.126","0.0638","","","0.1621","0.1957","","","","","","1.046","","","","has coordinates,has disorder","202620","2020-10-21","18:00:00",""
"4033072","27.4647","0.0017","9.7877","0.0006","17.8406","0.0011","90","","98.419","0.003","90","","4744.2","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H35 O5.5 -","- C25 H35 O5.5 -","- C200 H280 O44 -","8","2","","Jiménez, Fermín; Fernández, Antonio; Boulifa, Ettahir; Mansour, Ahmed Ibn; Alvarez-Manzaneda, Ramón; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Diastereoselective Intramolecular Heck Reaction Assisted by an Acetate Group: Synthesis of the Decahydrobenzofluorene Derivative Dasyscyphin E.","The Journal of organic chemistry","2017","82","18","9550","9559","10.1021/acs.joc.7b01551","","","0.71069","MoKα","","0.0373","0.0322","","","0.0721","0.0751","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033073","9.4863","0.0002","11.1115","0.0003","38.056","0.0011","90","","90","","90","","4011.37","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N3 O6 S -","- C45 H45 N3 O6 S -","- C180 H180 N12 O24 S4 -","4","1","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","","1.54184","CuKα","","0.0639","0.0575","","","0.1524","0.1596","","","","","","1.055","","","","has coordinates","202622","2020-10-21","18:00:00",""
"4033074","8.6788","0.0006","9.5182","0.0006","21.2735","0.0015","79.873","0.006","88.99","0.006","70.685","0.006","1631","0.2","129.95","0.1","129.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N3 O6 S -","- C36 H37 N3 O6 S -","- C72 H74 N6 O12 S2 -","2","2","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","x-ray","1.54184","CuKα","","0.083","0.0641","","","0.1667","0.204","","","","","","1.012","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4033075","8.512","0.002","12.733","0.004","16.119","0.004","85.958","0.006","81.538","0.006","76.058","0.006","1676","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl N2 O2 S -","- C19 H15 Cl N2 O2 S -","- C76 H60 Cl4 N8 O8 S4 -","4","2","","Rassokhina, Irina V.; Tikhonova, Tatyana A.; Kobylskoy, Sergey G.; Babkin, Igor Yu; Shirinian, Valerii Z.; Gevorgyan, Vladimir; Zavarzin, Igor V.; Volkova, Yulia A.","Synthesis of Imidazo[2,1-b]thiazoles via Copper-Catalyzed A(3)-Coupling in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","18","9682","9692","10.1021/acs.joc.7b01762","","","0.71073","MoKα","","0.089","0.0496","","","0.1075","0.1276","","","","","","0.941","","","","has coordinates","202624","2020-10-21","18:00:00",""
"4033076","6.7758","0.0008","9.5853","0.0011","11.3689","0.0013","69.107","0.011","76.089","0.01","74.028","0.011","654.83","0.14","294","","294","","","","","","","","","4","P -1","-P 1","2","","(E)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0763","0.0496","","","0.1449","0.1678","","","","","","1.044","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033077","4.0791","0.0001","8.7997","0.0002","19.3763","0.0004","90","","92.115","0.002","90","","695.04","0.03","297.4","0.14","297.4","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-Ethyl 3-(4,6-dimethyl-3- oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)but-2-enoate (2b)","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0819","0.0834","","","","","","1.059","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033078","4.98625","0.00015","15.4076","0.0005","14.7032","0.0005","90","","97.361","0.003","90","","1120.28","0.06","130.15","","130.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4,6-Dimethyl-1-(3-oxobut-1-enyl)isoxazolo[3,4-b]pyridin-3(1H)-one","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","","1.54184","CuKα","","0.0416","0.0372","","","0.1005","0.1042","","","","","","1.06","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033079","12.5735","0.0006","6.9794","0.0003","15.562","0.0008","90","","107.943","0.005","90","","1299.23","0.11","294.67","0.1","294.67","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0903","0.0527","","","0.1346","0.157","","","","","","1.058","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033080","3.83581","0.00005","9.67555","0.0001","31.0045","0.0004","90","","90.1572","0.0011","90","","1150.68","0.02","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(3-Oxobut-1-enyl)isoxazolo[3,4-b]quinolin-3(1H)-one","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0415","0.0388","","","0.0999","0.1027","","","","","","1.041","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033081","8.2258","0.0004","11.9963","0.0006","14.8642","0.0008","79.378","0.004","77.597","0.004","76.203","0.004","1377.45","0.13","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)-4,6-dimethylpyridin-2-ylamino)methylene)succinate","","- C25 H32 N2 O9 -","- C25 H32 N2 O9 -","- C50 H64 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0973","0.0641","","","0.1604","0.1825","","","","","","1.035","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033082","8.8727","0.0006","11.1374","0.0007","15.4529","0.0009","100.611","0.005","95.091","0.005","112.613","0.006","1363.95","0.17","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)quinolin-2-ylamino)methylene)succinate","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C54 H60 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0659","0.0453","","","0.1138","0.128","","","","","","1.038","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033083","10.9426","0.0006","17.63","0.0011","8.9922","0.0005","90","","112.155","0.005","90","","1606.68","0.17","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-ethoxy-3-oxopropanamido)-4,6-dimethylnicotinate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0787","0.05","","","0.123","0.1396","","","","","","1.033","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033084","11.124","0.002","9.3717","0.0019","19.35","0.004","90","","92.32","0.03","90","","2015.6","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 O P S -","- C26 H19 O P S -","- C104 H76 O4 P4 S4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0482","0.0392","","","0.1062","0.1115","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033085","9.7031","0.0008","10.2466","0.0005","12.6418","0.001","112.471","0.005","90.022","0.007","107.012","0.006","1101.65","0.15","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 O P S -","- C26 H31 O P S -","- C52 H62 O2 P2 S2 -","2","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0303","0.0285","","","0.0793","0.0803","","","","","","1.053","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033086","9.728","0.003","15.946","0.004","13.081","0.003","90","","105.066","0.007","90","","1959.4","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0408","0.0344","","","0.0882","0.0928","","","","","","1.026","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033087","16.654","0.005","16.844","0.004","16.96","0.005","90","","113.798","0.006","90","","4353","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 O2 P S -","- C27 H21 O2 P S -","- C216 H168 O16 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0304","","","0.0811","0.083","","","","","","1.037","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033088","16.615","0.002","16.577","0.002","16.859","0.003","90","","113.608","0.003","90","","4254.8","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O P S -","- C26 H18 Cl O P S -","- C208 H144 Cl8 O8 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0302","0.0271","","","0.0755","0.0766","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033089","12.193","0.002","12.336","0.002","14.229","0.002","90","","99.021","0.005","90","","2113.8","0.6","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 O P -","- C26 H31 O P -","- C104 H124 O4 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0305","","","0.0829","0.0854","","","","","","1.059","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033090","8.8777","0.0002","10.5133","0.0003","10.7419","0.0003","92.713","0.001","109.356","0.001","114.653","0.001","839.32","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Srinivas, Kolluru; Sharma, Rashmi; Ramana, Chepuri V.","Interrupting Base-Mediated Benzofuran Ring Transformation with Michael Acceptors.","The Journal of organic chemistry","2017","82","18","9816","9823","10.1021/acs.joc.7b01267","","","0.71073","MoKα","","0.0491","0.0463","","","0.116","0.118","","","","","","1.049","","","","has coordinates","202627","2020-10-21","18:00:00",""
"4033091","12.2869","0.0011","6.2004","0.0005","15.4191","0.0011","90","","90","","90","","1174.68","0.16","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Bai, Dachang; Jia, Qingqian; Xu, Teng; Zhang, Qiuqiu; Wu, Fen; Ma, Chaorui; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rhodium(III)-Catalyzed C-H Activation of Nitrones and Annulative Coupling with Nitroalkenes.","The Journal of organic chemistry","2017","82","18","9877","9884","10.1021/acs.joc.7b01574","","","0.71073","MoKα","","0.0433","0.0379","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","202628","2020-10-21","18:00:00",""
"4033092","5.58762","0.00007","8.03454","0.00008","25.9706","0.0003","90","","90","","90","","1165.92","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Yu, Yue; Chen, Yang; Huang, Wei; Wu, Wanqing; Jiang, Huanfeng","One-Pot Synthesis of Spirocyclic or Fused Pyrazoles from Cyclic Ketones: Calcium Carbide as the Carbon Source in Ring Expansion.","The Journal of organic chemistry","2017","82","18","9479","9486","10.1021/acs.joc.7b01496","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0741","0.075","","","","","","1.084","","","","has coordinates","202629","2020-10-21","18:00:00",""
"4033093","5.751","0.0002","8.5852","0.0004","41.6195","0.0017","90","","90","","90","","2054.9","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 O P -","- C23 H31 O P -","- C92 H124 O4 P4 -","4","1","","Nie, Shao-Zhen; Zhou, Zhong-Yang; Wang, Ji-Ping; Yan, Hui; Wen, Jing-Hong; Ye, Jing-Jing; Cui, Yun-Yao; Zhao, Chang-Qiu","Nonepimerizing Alkylation of H-P Species to Stereospecifically Generate P-Stereogenic Phosphine Oxides: A Shortcut to Bidentate Tertiary Phosphine Ligands.","The Journal of organic chemistry","2017","82","18","9425","9434","10.1021/acs.joc.7b01413","","","1.54184","CuKα","","0.0466","0.0434","","","0.1019","0.1036","","","","","","1.138","","","","has coordinates","202630","2020-10-21","18:00:00",""
"4033094","10.2211","0.0007","18.2509","0.0011","10.5603","0.0006","90","","107.925","0.002","90","","1874.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1112","0.0522","","","0.0871","0.1165","","","","","","1.004","","","","has coordinates","202631","2020-10-21","18:00:00",""
"4033095","9.9297","0.0006","20.0787","0.0015","8.6718","0.0007","90","","102.943","0.002","90","","1685","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1391","0.0787","","","0.1264","0.1497","","","","","","1.001","","","","has coordinates","202632","2020-10-21","18:00:00",""
"4033096","18.2219","0.0007","8.5559","0.0003","21.5811","0.0008","90","","90.875","0.002","90","","3364.2","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H33 Br N2 O8 S -","- C32 H33 Br N2 O8 S -","- C128 H132 Br4 N8 O32 S4 -","4","1","","Zheng, Yu; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Xiao, Jun-An; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Organocatalytic Asymmetric Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Diethyl 2-Aminomalonate Assisted by In Situ Protection.","The Journal of organic chemistry","2017","82","23","12202","12208","10.1021/acs.joc.7b02064","","","0.71073","MoKα","","0.0623","0.0499","","","0.1305","0.1355","","","","","","1.124","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033097","9.9789","0.0007","7.0934","0.0005","11.0379","0.0007","90","","115.725","0.0012","90","","703.87","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0424","0.0397","","","0.0978","0.0993","","","","","","1.049","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033098","9.9791","0.0006","7.0599","0.0004","10.8562","0.0007","90","","115.146","0.001","90","","692.35","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl N O5 -","- C14 H14 Cl N O5 -","- C28 H28 Cl2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0355","0.0335","","","0.0818","0.0832","","","","","","1.024","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033099","28.295","0.004","4.8587","0.0006","13.2","0.0017","90","","97.994","0.002","90","","1797.1","0.4","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C72 H104 O28 -","4","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.1156","0.0716","","","0.1599","0.1924","","","","","","1.019","","","","has coordinates,has disorder","204840","2020-10-21","18:00:00",""
"4033100","8.8038","0.0014","17.766","0.003","13.229","0.002","90","","105.812","0.005","90","","1990.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.077","0.0515","","","0.0971","0.1111","","","","","","1.06","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033101","9.0717","0.0011","11.0319","0.0012","13.525","0.0018","89.234","0.003","71.16","0.003","75.601","0.003","1237.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C60 H60 N4 O4 -","2","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.0846","0.0557","","","0.1107","0.131","","","","","","1.111","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033102","6.2831","0.0007","12.7652","0.0014","13.3011","0.0014","83.604","0.008","84.3","0.009","89.56","0.009","1054.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O -","- C25 H29 N O -","- C50 H58 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1829","0.0932","","","0.1957","0.2463","","","","","","0.975","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033103","10.3709","0.0013","16.766","0.002","10.7394","0.0013","90","","114.581","0.006","90","","1698.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N S -","- C22 H19 N S -","- C88 H76 N4 S4 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0925","0.0566","","","0.2041","0.2349","","","","","","0.906","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033104","8.4733","0.001","8.8139","0.001","32.111","0.003","90","","92.043","0.011","90","","2396.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C124 H108 N4 O16 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1216","0.0642","","","0.1657","0.2271","","","","","","0.918","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033105","9.1124","0.0009","9.1345","0.001","10.9267","0.0012","113.534","0.007","97.413","0.007","108.934","0.007","752.86","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.089","0.0463","","","0.1006","0.1168","","","","","","0.976","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033106","7.3419","0.0007","15.3072","0.0012","14.5765","0.0014","90","","90.222","0.01","90","","1638.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cl N O2 -","- C40 H40 Cl N O2 -","- C80 H80 Cl2 N2 O4 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0664","0.0448","","","0.101","0.1185","","","","","","1.014","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033107","10.2452","0.0008","10.4468","0.0008","10.9779","0.0009","77.834","0.007","86.634","0.007","71.187","0.007","1087.16","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H31 N -","- C28 H31 N -","- C56 H62 N2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1074","0.064","","","0.1483","0.1841","","","","","","1.039","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033108","13.167","0.003","3.8642","0.0006","25.147","0.004","90","","99.037","0.008","90","","1263.6","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0577","0.0389","","","0.1039","0.1106","","","","","","1.05","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033109","10.9695","0.0003","14.7196","0.0003","15.6452","0.0004","90","","90","","90","","2526.18","0.11","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0425","0.0379","","","0.0964","0.1009","","","","","","1.069","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033110","5.774","","14.657","","12.222","","90","","101.02","","90","","1015.27","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 S -","- C22 H19 N4 O2 S -","- C44 H38 N8 O4 S2 -","2","1","","Zheng, Guangfan; Sun, Jiaqiong; Liu, Yang; Yang, Shengbiao; Li, Yan; Sun, Haizhu; Zhang, Qian","Copper-Catalyzed Azidative Multifunctionalization of Alkynes.","The Journal of organic chemistry","2017","82","23","12813","12820","10.1021/acs.joc.7b02148","","","0.71073","MoKα","","0.0865","0.0509","","","0.1267","0.1517","","","","","","0.859","","","","has coordinates","204828","2020-10-21","18:00:00",""
"4033111","17.066","0.003","12.178","0.002","16.125","0.003","90","","90","","90","","3351.3","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C144 H144 B12 N12 O24 -","12","1.5","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0809","0.0686","","","0.1909","0.2038","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033112","7.6993","0.0011","16.097","0.002","13.712","0.002","90","","94.426","0.008","90","","1694.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B N O -","- C18 H24 B N O -","- C72 H96 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0996","0.0597","","","0.159","0.1841","","","","","","1.039","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033113","7.6038","0.0005","16.0985","0.001","13.4899","0.0009","90","","93.173","0.002","90","","1648.76","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B N2 O -","- C17 H23 B N2 O -","- C68 H92 B4 N8 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1194","0.0776","","","0.1893","0.2094","","","","","","1.04","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033114","13.233","0.006","7.758","0.003","16.663","0.007","90","","105.564","0.011","90","","1647.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B I N O -","- C16 H19 B I N O -","- C64 H76 B4 I4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0448","0.0367","","","0.0901","0.0944","","","","","","1.079","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033115","6.201","0.003","14.303","0.005","15.463","0.007","90","","90","","90","","1371.5","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 B N O2 -","- C16 H14 B N O2 -","- C64 H56 B4 N4 O8 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1119","0.0603","","","0.1448","0.1708","","","","","","0.948","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033116","7.764","0.003","21.061","0.008","8.476","0.003","90","","111.392","0.011","90","","1290.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B N O -","- C16 H14 B N O -","- C64 H56 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0434","0.0399","","","0.1078","0.1112","","","","","","1.043","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033117","8.1911","0.0005","9.4733","0.0006","12.3973","0.0007","111.95","0.002","97.068","0.002","93.448","0.003","879.57","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 B N O2 -","- C22 H18 B N O2 -","- C44 H36 B2 N2 O4 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0639","0.043","","","0.1064","0.1195","","","","","","1.021","","","","has coordinates,has disorder","204834","2020-10-21","18:00:00",""
"4033118","7.5743","0.0003","9.7671","0.0003","11.9956","0.0004","74.985","0.001","82.007","0.001","70.923","0.001","808.61","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 B N O -","- C18 H22 B N O -","- C36 H44 B2 N2 O2 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0564","0.0484","","","0.1331","0.1404","","","","","","1.047","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033119","13.9639","0.0018","9.1183","0.0011","16.431","0.002","90","","90","","90","","2092.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 B N O -","- C12 H12 B N O -","- C96 H96 B8 N8 O8 -","8","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","1.54178","CuKα","","0.0806","0.0655","","","0.1815","0.1941","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033120","23.2457","0.001","9.0807","0.0004","18.6858","0.0009","90","","96.79","0.004","90","","3916.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","2","","Xia, Yu; Wang, Li-Jing; Wang, Jia; Chen, Si; Shen, Yi; Guo, Chun-Huan; Liang, Yong-Min","Palladium-Catalyzed Construction of Tetracyclic Scaffolds via the 1,7-Enyne Carbocyclization/Iodophenol Dearomatization Cascade.","The Journal of organic chemistry","2017","82","23","12386","12394","10.1021/acs.joc.7b02196","","","0.71073","MoKα","","0.1279","0.0678","","","0.1329","0.1689","","","","","","1.044","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033121","7.8728","0.0009","6.9222","0.0008","13.1511","0.0015","90","","96.888","0.002","90","","711.52","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0375","0.0349","","","0.0799","0.0817","","","","","","1.061","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033122","7.7181","0.0004","7.1084","0.0004","26.189","0.0015","90","","98.083","0.001","90","","1422.54","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0421","0.0348","","","0.0829","0.087","","","","","","1.036","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033123","8.8336","0.0001","17.8733","0.0002","9.143","0.0001","90","","111.478","0.001","90","","1343.31","0.03","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","K1250","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0352","0.0335","","","0.0917","0.0932","","","","","","1.068","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033124","4.9539","0.00008","21.3695","0.0003","11.9647","0.0002","90","","98.6035","0.001","90","","1252.36","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-dash","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0353","0.0336","","","0.0905","0.0923","","","","","","1.047","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033125","11.4742","0.001","13.6344","0.0014","14.6597","0.0015","76.458","0.004","72.862","0.004","75.076","0.004","2086.3","0.4","305.3","","305.3","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H44 N6 O5 -","- C39 H44 N6 O5 -","- C78 H88 N12 O10 -","2","1","","Park, Jisook; Jean, Alexandre; Chen, David Y.-K.","Organocatalytic and Late-Stage CH-Functionalization Enabled Asymmetric Synthesis of Communesin F and Putative Communesins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02426","","","0.71073","MoKα","","0.0943","0.0627","","","0.2004","0.217","","","","","","1.098","","","","has coordinates","203019","2020-10-21","18:00:00",""
"4033126","9.4609","0.0005","9.552","0.0004","12.1087","0.0005","90","","89.67","0.004","90","","1094.25","0.09","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O8 S2 -","- C18 H24 N2 O8 S2 -","- C36 H48 N4 O16 S4 -","2","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","x-ray","0.71073","MoKα","","0.0513","0.0438","","","0.1019","0.109","","","","","","1.037","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033127","7.2342","0.0002","7.6993","0.0002","34.2572","0.0007","90","","90","","90","","1908.07","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Cl N2 O6 -","- C21 H15 Cl N2 O6 -","- C84 H60 Cl4 N8 O24 -","4","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","","0.71073","MoKα","","0.0614","0.0457","","","0.091","0.0965","","","","","","1.091","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033128","12.1792","0.0012","12.9193","0.0013","20.73","0.002","78.567","0.002","85.489","0.002","69.326","0.002","2991.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17.33 Br O4 S -","- C22 H17.3333 Br O4 S -","- C132 H104 Br6 O24 S6 -","6","3","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.096","0.051","","","0.1196","0.1389","","","","","","1.024","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033129","9.3081","0.0005","10.4852","0.0005","11.7136","0.0006","73.869","0.002","81.276","0.002","68.067","0.002","1017.25","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","2","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0442","0.0434","","","0.1219","0.1229","","","","","","1.025","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033130","13.5515","0.001","7.0685","0.0006","20.9049","0.0016","90","","103.256","0.004","90","","1949.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0412","0.0344","","","0.0824","0.0862","","","","","","1.044","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033131","17.0858","0.0017","7.1245","0.0008","16.5916","0.0017","90","","96.18","0.002","90","","2007.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O5 S -","- C23 H24 O5 S -","- C92 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0443","0.0354","","","0.0867","0.0922","","","","","","1.034","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033132","8.2965","0.0006","10.5328","0.0008","10.7598","0.0008","97.171","0.002","100.4","0.002","104.731","0.002","879.88","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 O5 S -","- C21 H16 O5 S -","- C42 H32 O10 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.04","0.0341","","","0.0798","0.0831","","","","","","1.054","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033133","11.495","0.002","17.271","0.004","12.383","0.003","90","","101.31","0.03","90","","2410.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O7 -","- C25 H27 N O7 -","- C100 H108 N4 O28 -","4","1","","Huang, Zhusheng; Bao, Yishu; Zhang, Yu; Yang, Fulai; Lu, Tao; Zhou, Qingfa","Hydroxy-Assisted Regio- and Stereoselective Synthesis of Functionalized 4-Methylenepyrrolidine Derivatives via Phosphine-Catalyzed [3 + 2] Cycloaddition of Allenoates with o-Hydroxyaryl Azomethine Ylides.","The Journal of organic chemistry","2017","82","23","12726","12734","10.1021/acs.joc.7b02560","","","0.71073","MoKα","","0.422","0.1642","","","0.2729","0.3796","","","","","","1.191","","","","has coordinates","204854","2020-10-21","18:00:00",""
"4033134","11.1968","0.0009","11.258","0.001","12.7572","0.0011","93.18","0.004","100.48","0.004","98.749","0.004","1557.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C60 H76 N4 O24 -","4","2","","Farren-Dai, Marco; Thompson, John R.; Bernardi, Anna; Colombo, Cinzia; Bennet, Andrew J.","Observation of a Tricyclic[4.1.0.02,4]heptane During a Michael Addition-Ring Closure Reaction and a Computational Study on Its Mechanism of Formation.","The Journal of organic chemistry","2017","82","23","12511","12519","10.1021/acs.joc.7b02218","","","0.71073","MoKα","","0.0617","0.0527","","","0.1492","0.1576","","","","","","1.061","","","","has coordinates,has disorder","204852","2020-10-21","18:00:00",""
"4033135","5.3586","0.0011","17.181","0.003","24.086","0.005","90","","90","","90","","2217.5","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0897","0.0516","","","0.1166","0.138","","","","","","1.023","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033136","5.2724","0.0003","12.5941","0.0006","19.4644","0.001","76.207","0.001","85.49","0.002","85.984","0.002","1249.54","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0572","0.0459","","","0.1152","0.1227","","","","","","1.04","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033137","5.1885","0.0012","8.975","0.002","25.944","0.006","90","","90","","90","","1208.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0484","0.0405","","","0.0901","0.0952","","","","","","1.025","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033138","5.222","0.003","15.414","0.009","16.654","0.009","90","","90","","90","","1340.5","1.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.039","0.0365","","","0.0958","0.0985","","","","","","1.067","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033139","7.142","0.002","11.87","0.004","16.292","0.006","107.677","0.008","90.937","0.005","100.663","0.007","1289.3","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0509","0.0378","","","0.0879","0.0957","","","","","","1.034","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033140","7.1832","0.0018","8.55","0.002","9.308","0.002","104.927","0.003","105.219","0.003","98.265","0.004","519.1","0.2","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.048","0.0409","","","0.1107","0.1178","","","","","","1.059","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033141","11.6324","0.0006","26.0858","0.0014","6.4645","0.0004","90","","90","","90","","1961.59","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 Cl3 N2 O3 -","- C15 H23 Cl3 N2 O3 -","- C60 H92 Cl12 N8 O12 -","4","1","","Martinez-Alsina, Luis A; Murray, John C.; Buzon, Leanne M.; Bundesmann, Mark W.; Young, Joseph M.; O'Neill, Brian T","Spiropiperidine Sultam and Lactam Templates: Diastereoselective Overman Rearrangement and Metathesis followed by NH Arylation.","The Journal of organic chemistry","2017","82","23","12246","12256","10.1021/acs.joc.7b02096","","","1.54178","CuKα","","0.0858","0.0812","","","0.2214","0.2256","","","","","","1.133","","","","has coordinates","204838","2020-10-21","18:00:00",""
"4033142","24.862","0.001","8.9677","0.0004","19.6735","0.0005","90","","97.685","0.002","90","","4346.9","0.3","200","","200","","","","","","","","local","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 N O2 S Si -","- C21 H31 N O2 S Si -","- C168 H248 N8 O16 S8 Si8 -","8","1","","Nugent, Jeremy; Matoušová, Eliška; Banwell, Martin G.; Willis, Anthony C.","The Palladium-Catalyzed Intramolecular Alder-Ene Reactions of O- and N-Linked 1,6-Enynes Incorporating Triethylsilyl Capping Groups.","The Journal of organic chemistry","2017","82","23","12569","12589","10.1021/acs.joc.7b02355","","","0.71073","MoKα","","0.0675","0.048","","0.1235","0.1128","0.1235","","","","","","0.9878","","","","has coordinates","204839","2020-10-21","18:00:00",""
"4033143","6.5878","0.0008","12.8623","0.0015","16.408","0.002","90","","90","","90","","1390.3","0.3","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl O3 -","- C14 H21 Cl O3 -","- C56 H84 Cl4 O12 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0271","0.0252","","","0.0607","0.0618","","","","","","1.042","","","","has coordinates","203193","2020-10-21","18:00:00",""
"4033144","8.5769","0.0012","13.3823","0.0018","15.729","0.002","90","","90","","90","","1805.4","0.4","88","2","88","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.036","0.0326","","","0.0773","0.0797","","","","","","1.034","","","","has coordinates","203194","2020-10-21","18:00:00",""
"4033145","15.0629","0.0016","17.1594","0.0018","18.0137","0.0019","90","","90","","90","","4656","0.9","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N2 O3 S -","- C23 H33 N2 O3 S -","- C184 H264 N16 O24 S8 -","8","2","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0608","0.0525","","","0.1412","0.1478","","","","","","1.033","","","","has coordinates","203195","2020-10-21","18:00:00",""
"4033146","7.9748","0.0009","14.1924","0.0017","17.903","0.002","89.1869","0.0016","83.5067","0.0016","74.6777","0.0016","1941.5","0.4","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","4","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.1227","0.0741","","","0.1758","0.2089","","","","","","1.018","","","","has coordinates,has disorder","203196","2020-10-21","18:00:00",""
"4033147","16.4621","0.0008","5.519","0.0003","24.511","0.0013","90","","90","","90","","2226.9","0.2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H23 N O5 S2 -","- C25 H23 N O5 S2 -","- C100 H92 N4 O20 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","1.54187","CuKα","","0.0705","0.0496","","","0.111","0.1386","","","","","","1.196","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033148","7.9922","0.0008","11.5964","0.0012","21.983","0.002","90","","90","","90","","2037.4","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","0.71075","MoKα","","","0.0439","","","","0.1008","","","","","","1.058","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033149","8.7104","0.0003","10.2793","0.0003","13.7385","0.0004","106.769","0.003","108.072","0.003","93.497","0.003","1104.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Br N O5 -","- C27 H20 Br N O5 -","- C54 H40 Br2 N2 O10 -","2","1","","Sivasankara, Chenikkayala; Satham, Lakshminarayana; Namboothiri, Irishi N. N.","One-Pot Construction of Functionalized Spiro-dihydronaphthoquinone-oxindoles via Hauser-Kraus Annulation of Sulfonylphthalide with 3-Alkylideneoxindoles.","The Journal of organic chemistry","2017","82","23","12939","12944","10.1021/acs.joc.7b02656","","","0.71073","MoKα","","0.0342","0.0309","","","0.077","0.0787","","","","","","1.062","","","","has coordinates","204833","2020-10-21","18:00:00",""
"4033150","9.1293","0.0011","11.8856","0.0016","13.6282","0.0018","90","","97.693","0.004","90","","1465.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4(methylamino)-3-(4-nitrobenzoyl)2-oxobut-3-enoic acid ethyl ester","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1246","0.0766","","","0.1313","0.165","","","","","","0.997","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033151","12.1528","0.0008","16.0299","0.001","8.9727","0.0005","90","","97.678","0.002","90","","1732.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1331","0.0667","","","0.115","0.1372","","","","","","1.021","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033152","11.0033","0.001","11.9445","0.001","14.1463","0.0011","90","","91.849","0.003","90","","1858.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(benzylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1423","0.0592","","","0.1353","0.1909","","","","","","0.985","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033153","14.1028","0.0003","11.5412","0.0003","10.4124","0.0002","90","","98.178","0.001","90","","1677.52","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isopropylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(isopropylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0591","0.0547","","","0.1511","0.1557","","","","","","1.039","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033154","8.7087","0.0013","11.9143","0.0018","17.31","0.003","90","","97.997","0.013","90","","1778.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(z)-4-(tert-butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0592","0.0493","","","0.1314","0.1416","","","","","","1.056","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033155","11.951","0.005","7.561","0.003","20.015","0.008","90","","99.777","0.01","90","","1782.3","1.3","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-nitrobenzoyl)-2-oxo-4-(phenylamino)but-3-enoic acid e","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C76 H64 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0927","0.0686","","","0.173","0.1891","","","","","","1.029","","","","has coordinates,has disorder","204837","2020-10-21","18:00:00",""
"4033156","30.378","0.006","6.892","0.002","17.711","0.004","90","0.03","102.59","0.03","90","0.03","3618.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methoxypehnyl amino nitrobenzoyl oxobut enoic acid ethyl","","","- C20 H18 N2 O7 -","- C20 H18 N2 O7 -","- C160 H144 N16 O56 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.103","0.0594","","","0.1674","0.2425","","","","","","1.067","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033157","10.8332","0.0007","10.336","0.0007","15.4805","0.001","90","","99.872","0.002","90","","1707.72","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ter-butylamino methoxybenzoyl oxobut enoic acid ethyl est","(Z)-4-(ter-butylamino)-3-(4-methoxybenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0928","0.0506","","","0.0972","0.1105","","","","","","1.033","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033158","27.51","0.02","7.656","0.008","18.984","0.015","90","","119.4","0.02","90","","3483","5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","","- C19 H15 N3 O5 -","- C19 H15 N3 O5 -","- C152 H120 N24 O40 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1367","0.0631","","","0.1331","0.1599","","","","","","1.008","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033159","7.0436","0.0008","16.3407","0.0015","9.9285","0.0011","90","","93.145","0.008","90","","1141","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C64 H44 N8 -","2","0.5","","Bornhof, Anna-Bea; Xiong, Ruisheng; Borbas, K. Eszter","Rational Synthesis of 2-Bromoporphyrins and 2,12-Dibromoporphyrins.","The Journal of organic chemistry","2017","82","23","12908","12913","10.1021/acs.joc.7b02404","","","0.71073","MoKα","","0.1603","0.0526","","","0.1009","0.1426","","","","","","1.011","","","","has coordinates","204842","2020-10-21","18:00:00",""
"4033160","9.558","0.003","12.696","0.004","12.822","0.004","118.63","0.004","92.463","0.004","93.918","0.005","1357.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Br N2 O5 -","- C32 H29 Br N2 O5 -","- C64 H58 Br2 N4 O10 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","0.71073","MoKα","","0.0637","0.0413","","","0.1128","0.1215","","","","","","1.063","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033161","12.7122","0.0002","13.1087","0.0002","21.4412","0.0003","73.575","0.001","88.091","0.001","61.492","0.001","2989.64","0.09","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H62 Br N3 O5 P2 Pd -","- C70 H62 Br N3 O5 P2 Pd -","- C140 H124 Br2 N6 O10 P4 Pd2 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","1.54178","CuKα","","0.0338","0.0324","","","0.0854","0.0865","","","","","","1.032","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033162","4.9054","0.0004","30.944","0.002","11.0135","0.0008","90","","94.3203","0.0013","90","","1667","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Hamal, Khagendra B.; Chalifoux, Wesley A.","One-Pot Synthesis of α-Carbonyl Bicyclic Furans via a Sequential Diels-Alder/5-Exo-Dig Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2017","82","23","12920","12927","10.1021/acs.joc.7b02479","","","0.71073","MoKα","","0.0716","0.0581","","","0.1505","0.1627","","","","","","0.856","","","","has coordinates","204850","2020-10-21","18:00:00",""
"4033163","8.1156","0.0007","11.1455","0.001","11.5815","0.0009","90.642","0.007","105.03","0.007","107.641","0.008","959.56","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N2 O2 S2 -","- C20 H17 Cl N2 O2 S2 -","- C40 H34 Cl2 N4 O4 S4 -","2","1","","Qi, Jie; Wang, Zaibin; Lang, Bo; Lu, Ping; Wang, Yanguang","TfOH-Catalyzed Reaction between 3-Diazoindolin-2-imines and Electron-Rich Arenes: Access to 3-Aryl-2-aminoindoles.","The Journal of organic chemistry","2017","82","23","12640","12646","10.1021/acs.joc.7b02423","","","0.71073","MoKα","","0.0666","0.0503","","","0.124","0.1386","","","","","","1.044","","","","has coordinates","204851","2020-10-21","18:00:00",""
"4033164","16.652","0.0008","19.7591","0.0006","20.6578","0.0011","90","","112.774","0.006","90","","6267.1","0.6","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2yn","14","","","","- C48 H24 F14 N4 S4 -","- C48 H24 F14 N4 S4 -","- C288 H144 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1595","0.0758","","","0.1728","0.2277","","","","","","0.966","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033165","15.3304","0.0003","17.3728","0.0004","21.0398","0.0004","107.553","0.0018","100.575","0.0016","111.083","0.0018","4708.9","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 F14 N4 S4 -","- C68 H64 F14 N4 S4 -","- C204 H192 F42 N12 S12 -","3","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0751","0.0533","","","0.1368","0.1507","","","","","","1.024","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033166","16.1364","0.0003","5.19816","0.00007","26.6969","0.0005","90","","98.5684","0.0017","90","","2214.33","0.07","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F14 N4 O2 S4 -","- C52 H32 F14 N4 O2 S4 -","- C104 H64 F28 N8 O4 S8 -","2","0.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.0939","0.0946","","","","","","1.123","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033167","15.2196","0.0007","15.3694","0.0005","24.0731","0.0006","101.545","0.002","102.351","0.003","105.027","0.003","5114","0.3","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C178 H35 Br32 Cl9 F56 N16 S16 -","4","2","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1579","0.0783","","","0.1761","0.2191","","","","","","1.019","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033168","15.36041","0.00017","25.7224","0.0002","20.8946","0.0002","90","","110.872","0.0013","90","","7713.84","0.14","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.33 H16 Br8 F14 N4 S4 -","- C47.3333 H16 Br8 F14 N4 S4 -","- C284 H96 Br48 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","0.71073","MoKα","","0.05","0.0369","","","0.084","0.0894","","","","","","1.022","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033169","8.954","0.006","30.616","0.017","10.213","0.007","90","","109.783","0.016","90","","2635","3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.25 H28.5 Cl0.5 N2 O7 -","- C25.25 H28.5 Cl0.5 N2 O7 -","- C101 H114 Cl2 N8 O28 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.2097","0.1909","","","0.4314","0.4524","","","","","","1.628","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033170","7.23","0.006","14.007","0.012","24.193","0.018","90","","97.842","0.012","90","","2427","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C100 H112 N8 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.0605","0.0457","","","0.1132","0.1247","","","","","","0.952","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033171","18.721","0.012","18.189","0.008","30.942","0.016","90","","99.292","0.012","90","","10398","10","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C432 H480 N32 O144 -","16","4","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.202","0.1548","","","0.3752","0.4401","","","","","","1.176","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033172","14.061","0.003","12.857","0.002","14.52","0.003","90","","109.008","0.005","90","","2481.8","0.8","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C108 H132 N4 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0508","0.0434","","","0.1137","0.1199","","","","","","1.032","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033173","10.3698","0.0015","11.4667","0.0012","12.0264","0.0011","65.754","0.008","80.975","0.012","85.855","0.012","1287.7","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C11.25 H19.5 Cl0.5 N O4 -","- C11.25 H19.5 Cl0.5 N O4 -","- C45 H78 Cl2 N4 O16 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0695","0.0616","","","0.1936","0.2001","","","","","","1.09","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033174","12.1335","0.0007","9.0731","0.0004","13.4839","0.0007","90","","109.111","0.006","90","","1402.61","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Dhiman, Ankit Kumar; Kumar, Rakesh; Kumar, Rakesh; Sharma, Upendra","Metal-Free Synthesis of 2-Substituted 3-(2-Hydroxyaryl)quinolines and 4-(2-Hydroxyaryl)acridines via Benzyne Chemistry.","The Journal of organic chemistry","2017","82","23","12307","12317","10.1021/acs.joc.7b02149","","x-ray","1.54184","CuKα","","0.0562","0.0497","","","0.1334","0.1436","","","","","","1.053","","","","has coordinates","204859","2020-10-21","18:00:00",""
"4033175","10.0379","0.0013","10.2812","0.0013","10.6299","0.0013","73.378","0.011","83.687","0.01","80.048","0.011","1033.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C46 H42 N6 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0947","0.0626","","","0.1581","0.1809","","","","","","1.072","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033176","7.1294","0.0007","32.835","0.003","10.2161","0.0009","90","","96.947","0.009","90","","2374","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O4 -","- C26 H25 N4 O4 -","- C104 H100 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.07","0.0602","","","0.1563","0.1635","","","","","","0.997","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033177","7.092","0.0015","34.99","0.008","9.922","0.003","90","","98.12","0.03","90","","2437.5","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N4 O4 -","- C26 H25 Cl N4 O4 -","- C104 H100 Cl4 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.118","0.0906","","","0.233","0.2541","","","","","","1.027","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033178","16.13","0.002","17.057","0.003","15.338","0.002","90","","106.066","0.014","90","","4055.1","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl N3 O3 -","- C23 H18 Cl N3 O3 -","- C184 H144 Cl8 N24 O24 -","8","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0696","0.0558","","","0.146","0.1586","","","","","","1.093","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033179","10.853","0.0015","12.0931","0.0016","12.7462","0.0012","111.386","0.01","93.203","0.01","111.842","0.013","1409.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 F N4 O4 -","- C31 H27 F N4 O4 -","- C62 H54 F2 N8 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.104","0.0736","","","0.2065","0.2348","","","","","","1.018","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033180","10.8079","0.0006","15.5573","0.0009","14.4369","0.0009","90","","94.828","0.001","90","","2418.8","0.2","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 B N3 O2 S -","- C24 H38 B N3 O2 S -","- C96 H152 B4 N12 O8 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.0681","0.0608","","","0.1589","0.1652","","","","","","1.025","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033181","11.3384","0.0004","11.3384","0.0004","17.9222","0.0011","90","","90","","90","","2304.07","0.18","85","2","85","2","","","","","","","","6","P 41","P 4w","76","","","","- C20 H33 B N2 O4 S -","- C20 H33 B N2 O4 S -","- C80 H132 B4 N8 O16 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.037","0.0356","","","0.096","0.0975","","","","","","1.046","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033182","7.6936","0.0013","7.8268","0.0014","13.667","0.002","93.177","0.005","94.183","0.004","119.259","0.004","712.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C34 H36 O4 S2 -","2","1","","Zou, Liang-Hua; Zhao, Cong; Li, Ping-Gui; Wang, Ying; Li, Jie","Transition-Metal-Free C-S Bond Formation: Synthesis of Polysubstituted Diaryl Sulfides and α-Thioarylcarbonyl Compounds.","The Journal of organic chemistry","2017","82","23","12892","12898","10.1021/acs.joc.7b02384","","","0.71073","MoKα","","0.0494","0.0427","","","0.1155","0.1199","","","","","","1.079","","","","has coordinates","204867","2020-10-21","18:00:00",""
"4033183","10.094","0.0003","10.1679","0.0003","12.6813","0.0003","81.8483","0.0013","72.4104","0.0012","71.5178","0.0011","1175.17","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F3 N2 O2 -","- C28 H25 F3 N2 O2 -","- C56 H50 F6 N4 O4 -","2","1","","Pandey, Vinay Kumar; Anbarasan, Pazhamalai","One-Pot Trifluoromethylative Functionalization of Amides: Synthesis of Trifluoromethylated Bis(indolyl)arylmethanes and Triarylmethanes.","The Journal of organic chemistry","2017","82","23","12328","12336","10.1021/acs.joc.7b02161","","x-ray","0.71073","MoKα","","0.0751","0.0566","","","0.1669","0.1846","","","","","","1.042","","","","has coordinates","204869","2020-10-21","18:00:00",""
"4033184","12.0569","0.0008","4.7415","0.0003","13.0804","0.0009","90","","111.418","0.005","90","","696.14","0.08","130","2","130","2","","","","","","","","2","C 1 2 1","C 2y","5","","'Compound 2a'","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0298","0.0279","","","0.0721","0.0732","","","","","","1.024","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033185","36.346","0.0015","36.346","0.0015","5.8926","0.0003","90","","90","","120","","6741.4","0.5","130","2","130","2","","","","","","","","2","R -3 :H","-R 3","148","","compound 7a","","- C20 H18 -","- C20 H18 -","- C360 H324 -","18","1","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0548","0.0415","","","0.108","0.1153","","","","","","1.044","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033186","21.865","0.0013","11.0751","0.0008","14.5182","0.001","90","","91.754","0.002","90","","3514","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'compound [RhCl(7a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C164 H152 Cl16 Rh8 -","4","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0369","0.0253","","","0.0585","0.0618","","","","","","1.028","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033187","12.2875","0.0006","17.5098","0.0008","33.0426","0.0018","90","","90","","90","","7109.2","0.6","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'compound [RhCl(2a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C328 H304 Cl32 Rh16 -","8","2","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0638","0.0411","","","0.0754","0.0804","","","","","","1.008","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033188","13.4732","0.0005","14.8888","0.0006","9.621","0.0004","90","","90","","90","","1929.97","0.13","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C100 H84 N4 O4 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Wei, Wen-Long; Qiao, Yan","AlCl3-Catalyzed Intramolecular Cyclization of N-Arylpropynamides with N-Sulfanylsuccinimides: Divergent Synthesis of 3-Sulfenyl Quinolin-2-ones and Azaspiro[4,5]trienones.","The Journal of organic chemistry","2017","82","24","13459","13467","10.1021/acs.joc.7b02498","","","0.71073","MoKα","","0.0664","0.0422","","","0.0832","0.0926","","","","","","1.031","","","","has coordinates","204811","2020-10-21","18:00:00",""
"4033189","14.829","0.002","7.658","0.001","16.225","0.002","90","","114.477","0.009","90","","1676.9","0.4","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B N2 -","- C19 H23 B N2 -","- C76 H92 B4 N8 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.2706","0.0916","","","0.219","0.288","","","","","","1.059","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033190","21.63","0.005","10.13","0.005","7.429","0.002","90","","90","","90","","1627.8","1","230","2","230","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H22 B N3 -","- C18 H22 B N3 -","- C72 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1766","0.0791","","","0.1621","0.2118","","","","","","1.099","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033191","8.1392","0.0005","12.5325","0.0008","17.0339","0.0012","90","","90","","90","","1737.5","0.2","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B N3 -","- C20 H22 B N3 -","- C80 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1102","0.0553","","","0.132","0.155","","","","","","1.091","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033192","6.97","0.002","7.005","0.002","34.186","0.011","90","","90","","90","","1669.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Roizen, Jennifer L.; Jones, Amanda C.; Smith, Russell C.; Virgil, Scott C.; Stoltz, Brian M.","Model Studies To Access the [6,7,5,5]-Core of Ineleganolide Using Tandem Translactonization-Cope or Cyclopropanation-Cope Rearrangements as Key Steps.","The Journal of organic chemistry","2017","82","24","13051","13067","10.1021/acs.joc.7b02030","","","0.71073","MoKα","","0.1046","0.0694","","","0.1073","0.1141","","","","","","1.298","","","","has coordinates","204795","2020-10-21","18:00:00",""
"4033193","6.3211","0.0002","8.5298","0.0002","20.3965","0.0008","90","","90.395","0.001","90","","1099.71","0.06","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C50 H48 Cl2 N2 O4 S2 -","2","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","0.71073","MoKα","","0.0492","0.0391","","","0.0841","0.0891","","","","","","1.047","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033194","14.1684","0.0003","9.609","0.0002","14.3695","0.0003","90","","90","","90","","1956.32","0.07","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl N O3 S -","- C20 H24 Cl N O3 S -","- C80 H96 Cl4 N4 O12 S4 -","4","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","1.54178","CuKα","","0.0278","0.0259","","","0.0632","0.0645","","","","","","1.049","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033195","18.844","0.003","5.5118","0.0009","12.7313","0.0016","90","","107.388","0.006","90","","1261.9","0.3","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","0.5","","Jha, Vishwajeet; Goyal, Navneet; Stevens, Cheryl K.; Stevens, Edwin; Sridhar, Jayalakshmi","Synthetic Method to Form 2,2'-Bis(naphthoquinone) Compounds.","The Journal of organic chemistry","2017","82","24","13686","13692","10.1021/acs.joc.7b02501","","","0.71073","MoKα","","0.0858","0.0717","","","0.1719","0.1771","","","","","","1.064","","","","has coordinates","204798","2020-10-21","18:00:00",""
"4033196","8.1655","0.0013","10.6003","0.0018","12.896","0.002","76.273","0.006","87.655","0.007","78.31","0.006","1061.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O8 -","- C24 H19 N O8 -","- C48 H38 N2 O16 -","2","1","","Bisht, Shweta; Peddinti, Rama Krishna","FeCl3-Mediated Domino Reaction of Benzoxazinones with Aroylmethylidene Malonates: Synthesis to Functionalized Pyrrolobenzoxazines.","The Journal of organic chemistry","2017","82","24","13617","13625","10.1021/acs.joc.7b02207","","","0.71073","MoKα","","0.049","0.0428","","","0.1187","0.124","","","","","","1.052","","","","has coordinates","204806","2020-10-21","18:00:00",""
"4033197","10.7578","0.0012","8.1502","0.0009","16.2547","0.0016","90","","103.833","0.005","90","","1383.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","1","","Wurm, Thomas; Turnbull, Ben W. H.; Ambler, Brett R.; Krische, Michael J.","Thermal Hetero-Diels-Alder Reaction of Benzocyclobutenones with Isatins To Form 2-Oxindole Spirolactones.","The Journal of organic chemistry","2017","82","24","13751","13755","10.1021/acs.joc.7b02769","","","0.71073","MoKα","","0.0626","0.044","","","0.1051","0.1145","","","","","","1.029","","","","has coordinates","204814","2020-10-21","18:00:00",""
"4033198","14.1234","0.0008","10.611","0.0012","15.8504","0.0012","90","","105.486","0.006","90","","2289.2","0.3","100.3","","100.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F3 N O4 -","- C26 H26 F3 N O4 -","- C104 H104 F12 N4 O16 -","4","1","","Cheng, Jian; Sun, Jun; Yan, Jiekuan; Yang, Song; Zheng, Pengcheng; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Indole 3-Methyl C(sp3)-H Bond Functionalization.","The Journal of organic chemistry","2017","82","24","13342","13347","10.1021/acs.joc.7b02436","","","0.7107","MoKα","","0.0605","0.0489","","","0.1131","0.122","","","","","","1.025","","","","has coordinates","204817","2020-10-21","18:00:00",""
"4033199","10.691","","21.5103","","14.9915","","90","","98.822","","90","","3406.76","","143","","143","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C118 H112 Cl4 F24 N8 O16 Sb4 -","2","0.5","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1254","0.085","","","0.2052","0.2367","","","","","","1.004","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033200","25.919","0.012","25.919","0.012","11.739","0.006","90","","90","","90","","7886","7","143","","143","","","","","","","","","6","I -4","I -4","82","","","","- C120 H124 Cl44 N8 O8 Sb6 -","- C120 H96 Cl44 N8 O8 Sb6 -","- C240 H192 Cl88 N16 O16 Sb12 -","2","0.25","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.0786","0.0587","","","0.1237","0.1371","","","","","","0.909","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033201","12.216","0.002","15.614","0.003","23.054","0.004","90","","92.341","0.003","90","","4393.7","1.3","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 N4 O4 -","- C53 H46 Cl2 N4 O4 -","- C212 H184 Cl8 N16 O16 -","4","1","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1455","0.0778","","","0.1886","0.2234","","","","","","0.85","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033202","15.3053","0.0004","14.8181","0.0005","8.1391","0.0004","90","","96.118","0.003","90","","1835.4","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C80 H68 Cl4 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0723","0.0558","","","0.1223","0.1323","","","","","","1.024","","","","has coordinates,has disorder","204819","2020-10-21","18:00:00",""
"4033203","11.4731","0.0004","20.694","0.0004","11.6733","0.0004","90","","116.529","0.004","90","","2479.71","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C100 H84 Cl4 F24 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0505","0.038","","","0.0793","0.0848","","","","","","1.055","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033204","7.5654","0.0004","11.1449","0.0009","14.5379","0.0011","79.542","0.007","81.945","0.006","88.919","0.006","1193.49","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.7107","MoKα","","0.0607","0.041","","","0.0798","0.091","","","","","","1.014","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033205","9.2367","0.0003","9.8868","0.0003","14.3883","0.0004","96.813","0.003","93.134","0.003","107.521","0.003","1238.47","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0649","0.0528","","","0.1385","0.1464","","","","","","1.045","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033206","8.959","0.002","10.712","0.003","11.971","0.003","98.262","0.004","97.066","0.004","100.438","0.004","1104.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C52 H44 Br2 N2 O6 -","2","1","","Kroc, Michelle A.; Prajapati, Ami; Wink, Donald J.; Anderson, Laura L.","Cascade Synthesis of 3-Functionalized Indoles from Nitrones and their Conversion to Cycloheptanone-Fused Indoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02638","","","0.71073","MoKα","","0.0643","0.0412","","","0.115","0.1325","","","","","","0.843","","","","has coordinates","203646","2020-10-21","18:00:00",""
"4033207","6.9803","0.0008","14.8048","0.0016","14.8173","0.0017","90","","90","","90","","1531.2","0.3","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O5 -","- C18 H12 Cl N O5 -","- C72 H48 Cl4 N4 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0232","0.0227","","","0.0618","0.062","","","","","","1.043","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033208","10.132","0.002","20.982","0.005","7.485","0.002","90","","91.647","0.007","90","","1590.6","0.7","128","2","128","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl2 N3 O5 -","- C15 H13 Cl2 N3 O5 -","- C60 H52 Cl8 N12 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0254","0.0248","","","0.0678","0.0683","","","","","","1.046","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033209","10.3202","0.0013","15.352","0.0019","20.375","0.003","69.201","0.004","81.721","0.004","89.922","0.004","2982","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Cl N2 O3 -","- C36 H31 Cl N2 O3 -","- C144 H124 Cl4 N8 O12 -","4","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2269","0.0832","","","0.1627","0.2106","","","","","","1.005","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033210","12.755","0.004","17.504","0.005","12.366","0.004","90","","104.956","0.011","90","","2667.4","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C120 H112 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2485","0.1434","","","0.3515","0.3997","","","","","","1.085","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033211","10.145","0.005","12.381","0.006","13.498","0.007","75.693","0.014","83.221","0.016","85.987","0.016","1629.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cl N2 O3 -","- C33 H33 Cl N2 O3 -","- C66 H66 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2276","0.1388","","","0.3446","0.3919","","","","","","1.096","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033212","10.947","0.006","11.922","0.006","13.843","0.007","98.659","0.016","110.407","0.016","99.101","0.015","1630.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2957","0.1096","","","0.2835","0.3591","","","","","","1.016","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033213","21.8784","0.0019","16.5957","0.0014","9.1581","0.0007","90","","90","","90","","3325.2","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H33 N3 O4 -","- C41 H33 N3 O4 -","- C164 H132 N12 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.136","0.0537","","","0.0915","0.1112","","","","","","1.01","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033214","12.0103","0.0008","12.0103","0.0008","43.759","0.003","90","","90","","90","","6312.1","0.7","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2475","0.168","","","0.4082","0.4526","","","","","","1.092","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033215","8.4622","0.0007","18.6062","0.0015","22.0126","0.0017","90","","94.106","0.002","90","","3457","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl N2 O4 -","- C39 H39 Cl N2 O4 -","- C156 H156 Cl4 N8 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1302","0.0733","","","0.1993","0.2231","","","","","","1.06","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033216","12.5051","0.0019","9.5333","0.0015","26.477","0.004","90","","100.969","0.005","90","","3098.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 Cl N2 O2 -","- C39 H35 Cl N2 O2 -","- C156 H140 Cl4 N8 O8 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.268","0.0772","","","0.1265","0.1536","","","","","","0.944","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033217","11.181","0.003","10.487","0.003","24.288","0.007","90","","99.83","0.01","90","","2806.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl N2 O3 -","- C33 H31 Cl N2 O3 -","- C132 H124 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1457","0.0652","","","0.1338","0.1616","","","","","","1.013","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033218","15.6205","0.0014","11.6653","0.0009","16.5056","0.0014","90","","90","","90","","3007.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H37 Cl N2 O3 -","- C36 H37 Cl N2 O3 -","- C144 H148 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1029","0.0573","","","0.1326","0.1499","","","","","","1.019","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033219","8.472","0.0004","13.9354","0.0007","14.9305","0.0007","62.4022","0.0014","77.6344","0.0015","88.9009","0.0016","1519.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.0943","0.0584","","","0.1529","0.1704","","","","","","1.027","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033220","28.176","0.015","10.794","0.004","23.96","0.009","90","","102.371","0.019","90","","7118","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1808","0.0798","","","0.2267","0.2543","","","","","","1.039","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033221","35.6802","0.0016","8.9154","0.0004","25.3738","0.0013","90","","125.393","0.0012","90","","6579.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C280 H232 Cl8 N16 O24 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1122","0.0643","","","0.1649","0.1883","","","","","","1.037","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033222","7.8293","0.0016","12.489","0.003","12.762","0.003","101.18","0.03","94.22","0.03","97.69","0.03","1206.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 B N2 O S -","- C28 H29 B N2 O S -","- C56 H58 B2 N4 O2 S2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.048","","","0.1155","0.1316","","","","","","1.074","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033223","7.7972","0.0004","11.7876","0.0006","12.3016","0.0007","66.098","0.003","82.745","0.004","77.286","0.004","1007.46","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 B N2 O -","- C25 H23 B N2 O -","- C50 H46 B2 N4 O2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.1037","0.0739","","","0.2274","0.245","","","","","","1.107","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033224","8.9083","0.0003","14.5182","0.0005","21.1754","0.0007","90","","100.057","0.002","90","","2696.59","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 B Cl2 N2 O -","- C32 H29 B Cl2 N2 O -","- C128 H116 B4 Cl8 N8 O4 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.0449","","","0.0952","0.1096","","","","","","1.077","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033225","8.6859","0.0002","15.3055","0.0003","15.4712","0.0003","90.457","0.001","96.07","0.001","99.711","0.001","2015.24","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 B N2 -","- C25 H23 B N2 -","- C100 H92 B4 N8 -","4","2","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0573","0.0459","","","0.1164","0.1254","","","","","","1.047","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4033226","10.4394","0.0005","11.3922","0.0005","19.9876","0.001","90","","96.249","0.001","90","","2362.96","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B N2 -","- C31 H27 B N2 -","- C124 H108 B4 N8 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0569","0.0414","","","0.0919","0.1003","","","","","","1.048","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033227","11.4375","0.0003","13.0457","0.0003","21.164","0.0005","90","","102.68","0.001","90","","3080.87","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N3 O10 -","- C31 H39 N3 O10 -","- C124 H156 N12 O40 -","4","1","","Perkins, Jonathan C.; Wang, Xiye; Pike, Robert D.; Scheerer, Jonathan R.","Further Investigation of the Intermolecular Diels-Alder Cycloaddition for the Synthesis of Bicyclo[2.2.2]diazaoctane Alkaloids.","The Journal of organic chemistry","2017","82","24","13656","13662","10.1021/acs.joc.7b02403","","","1.54178","CuKα","","0.0537","0.05","","","0.1384","0.1425","","","","","","1.044","","","","has coordinates","204810","2020-10-21","18:00:00",""
"4033228","7.722","0.003","12.395","0.005","15.776","0.006","90","","89.933","0.006","90","","1510","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.318","0.2296","","","0.558","0.5955","","","","","","2.114","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033229","7.8903","0.0001","15.974","0.0003","11.8637","0.0002","90","","100.05","0.001","90","","1472.35","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","1.54178","CuKα","","0.0373","0.0372","","","0.0935","0.0935","","","","","","1.098","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033230","7.2447","0.001","13.8888","0.0018","8.0725","0.0011","90","","101.937","0.002","90","","794.69","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.0304","0.0293","","","0.0783","0.0794","","","","","","1.076","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033231","17.8938","0.0004","15.0422","0.0004","8.53393","0.00018","90","","90","","90","","2297.01","0.09","110","2","110","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C108 H84 B4 S8 -","4","0.5","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","1.54178","CuKα","","0.0391","0.0337","","","0.09","0.0942","","","","","","1.048","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033232","22.1776","0.0007","22.1776","0.0007","7.4995","0.0003","90","","90","","120","","3194.42","0.19","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C162 H126 B6 S12 -","6","1","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","0.71073","MoKα","","0.0559","0.0436","","","0.1085","0.1169","","","","","","1.045","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033233","8.4415","0.0003","15.246","0.0006","15.871","0.0006","95.385","0.002","95.271","0.002","96.377","0.002","2010.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 N4 O5 S3 -","- C52 H34 N2 O4 S2 -","- C104 H68 N4 O8 S4 -","2","1","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1091","0.0554","","","0.1503","0.2201","","","","","","0.787","","","","has coordinates","204820","2020-10-21","18:00:00",""
"4033234","14.6299","0.0004","14.6404","0.0004","15.5052","0.0004","66.918","0.001","68.253","0.001","71.672","0.002","2781.53","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O9 S3 -","- C30 H25 Br N O4 S3 -","- C120 H100 Br4 N4 O16 S12 -","4","2","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1671","0.0491","","","0.124","0.1911","","","","","","0.983","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033235","21.191","0.015","32.62","0.02","19.973","0.014","90","","113.248","0.007","90","","12685","15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H111 N3 O19 -","- C92 H111 N3 O19 -","- C368 H444 N12 O76 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1691","0.1341","","","0.3574","0.3784","","","","","","1.045","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033236","16.813","0.004","21.414","0.005","22.481","0.005","65.245","0.003","75.329","0.003","88.64","0.003","7079","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H175 N7 O25 -","- C120.004 H175.009 N7.001 O25.001 -","- C240.008 H350.018 N14.002 O50.002 -","2","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1976","0.1136","","","0.2829","0.3171","","","","","","1.07","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033237","12.148","0.003","38.603","0.008","15.251","0.003","90","","108.773","0.003","90","","6771","3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C138 H202 N10 O26 -","- C138 H202 N10 O26 -","- C276 H404 N20 O52 -","2","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.112","0.0823","","","0.2175","0.237","","","","","","1.069","","","","has coordinates","204797","2020-10-21","18:00:00",""
"4033238","16.597","0.003","42.559","0.007","19.786","0.003","90","","102.717","0.002","90","","13633","4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C137 H213 N11 O27 -","- C137 H213 N11 O27 -","- C548 H852 N44 O108 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1163","0.078","","","0.19","0.2101","","","","","","1.032","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4033239","11.388","0.002","14.825","0.003","20.643","0.004","89.102","0.002","76.622","0.002","71.446","0.002","3208","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","1","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1362","0.0996","","","0.2893","0.3194","","","","","","1.192","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033240","9.4154","0.0008","12.766","0.0012","13.1363","0.0012","90","","90","","90","","1578.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C56 H84 N4 O8 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Synthesis of β-Amino Ketones by Addition of Aryl Methyl Ketones to Sulfinimines: Application to the Total Synthesis of HPA-12, Norsedamine, and Sedamine.","The Journal of organic chemistry","2017","82","24","13488","13499","10.1021/acs.joc.7b02611","","","0.71073","MoKα","","0.0475","0.0355","","","0.0818","0.087","","","","","","1.07","","","","has coordinates","204813","2020-10-21","18:00:00",""
"4033241","18.9318","0.0007","9.1249","0.0003","11.0844","0.0004","90","","93.622","0.003","90","","1911.01","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Changcheng; Lai, Jialin; Chen, Cantao; Li, Xuechen; Cao, Hua","Ag-Catalyzed Tandem Three-Component Reaction toward the Synthesis of Multisubstituted Imidazoles.","The Journal of organic chemistry","2017","82","24","13740","13745","10.1021/acs.joc.7b02612","","x-ray","1.54184","CuKα","","0.1225","0.1189","","","0.3425","0.3437","","","","","","1.095","","","","has coordinates","204804","2020-10-21","18:00:00",""
"4033242","6.5977","0.0007","6.954","0.0007","13.0578","0.0013","82.254","0.008","84.013","0.008","63.46","0.01","530.42","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","1","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0474","0.0429","","","0.1","0.1022","","","","","","1.075","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033243","6.097","0.0003","25.7082","0.0011","7.423","0.0003","90","","110.555","0.005","90","","1089.43","0.09","100","2","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H35 Cl O4 Si2 -","- C17 H35 Cl O4 Si2 -","- C34 H70 Cl2 O8 Si4 -","2","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0436","0.0391","","","0.0953","0.0969","","","","","","1.016","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033244","10.3098","0.0006","19.1132","0.0009","19.3897","0.001","90","","99.389","0.002","90","","3769.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O5 S -","- C20 H20 O5 S -","- C160 H160 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0366","","","0.0833","0.0885","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033245","10.3973","0.0005","11.4451","0.0005","18.3533","0.0009","90","","98.29","0.001","90","","2161.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O5 S -","- C26 H24 O5 S -","- C104 H96 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0382","0.0335","","","0.0844","0.0879","","","","","","1.036","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033246","24.9437","0.0014","8.7955","0.0005","11.5489","0.0006","90","","94.461","0.002","90","","2526.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H48 Cl2 F2 O10 S2 -","- C53 H48 Cl2 F2 O10 S2 -","- C106 H96 Cl4 F4 O20 S4 -","2","0.5","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0444","0.0382","","","0.1098","0.1185","","","","","","1.057","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033247","11.0102","0.0003","9.1251","0.0002","11.497","0.0003","90","","91.296","0.002","90","","1154.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C56 H56 O10 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0359","0.033","","","0.0717","0.076","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033248","12.0995","0.0007","11.0442","0.0006","18.1654","0.001","90","","100.641","0.002","90","","2385.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C112 H112 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0503","0.0396","","","0.0987","0.1051","","","","","","1.047","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033249","9.262","0.0005","29.1519","0.0015","10.0839","0.0005","90","","92.582","0.001","90","","2719.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl2 O5 S -","- C29 H30 Cl2 O5 S -","- C116 H120 Cl8 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0359","","","0.0845","0.0895","","","","","","1.028","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033250","21.8205","0.0014","11.6934","0.0006","22.0291","0.0015","90","","95.383","0.002","90","","5596.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 O5 S -","- C33 H30 O5 S -","- C264 H240 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0455","0.0382","","","0.1026","0.1083","","","","","","1.051","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033251","8.5498","0.0019","9.5122","0.0013","16.619","0.002","95.944","0.01","100.27","0.012","107.515","0.014","1250.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O10 S -","- C25 H24 N2 O10 S -","- C50 H48 N4 O20 S2 -","2","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54184","CuKα","","0.0635","0.0571","","","0.1576","0.1637","","","","","","1.0466","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033252","10.893","0.002","19.835","0.004","12.801","0.003","90","","96.8","0.03","90","","2746.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F6 N2 O8 S -","- C26 H22 F6 N2 O8 S -","- C104 H88 F24 N8 O32 S4 -","4","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54178","CuKα","","0.0424","0.0351","","","0.0828","0.087","","","","","","1.0521","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033253","11.29659","0.00018","28.0997","0.0004","7.63435","0.0001","90","","96.334","0.0013","90","","2408.58","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C104 H96 N32 O16 -","8","2","","Orrego-Hernández, Jessica; Portilla, Jaime","Synthesis of Dicyanovinyl-Substituted 1-(2-Pyridyl)pyrazoles: Design of a Fluorescent Chemosensor for Selective Recognition of Cyanide.","The Journal of organic chemistry","2017","82","24","13376","13385","10.1021/acs.joc.7b02460","","","0.71073","MoKα","","0.049","0.0335","","","0.1128","0.1195","","","","","","0.947","","","","has coordinates","204816","2020-10-21","18:00:00",""
"4033254","13.7712","0.0014","7.5501","0.0008","17.8422","0.0019","90","","103.906","0.002","90","","1800.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br F N O3 -","- C20 H17 Br F N O3 -","- C80 H68 Br4 F4 N4 O12 -","4","1","","Zhu, Yi; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Zhou, Jie; Pan, Yi","Chemoselective SN2' Allylations of Detrifluoroacetylatively In Situ Generated 3-Fluoroindolin-2-one-Derived Tertiary Enolates with Morita-Baylis-Hillman Carbonates.","The Journal of organic chemistry","2017","82","24","13663","13670","10.1021/acs.joc.7b02409","","","0.71073","MoKα","","0.0483","0.0403","","","0.1092","0.1264","","","","","","1.096","","","","has coordinates","204793","2020-10-21","18:00:00",""
"4033255","13.0141","0.0008","13.0141","0.0008","40.507","0.003","90","","90","","90","","6860.5","0.8","200","2","200","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C60 H80 N4 O17 Rh2 -","- C60 H80 N4 O17 Rh2 -","- C240 H320 N16 O68 Rh8 -","4","0.25","","O'Brien, Jessica G K; Chintala, Srinivasa R.; Fox, Joseph M.","Stereoselective Synthesis of Bicyclo[6.1.0]nonene Precursors of the Bioorthogonal Reagents s-TCO and BCN.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02329","","","0.71073","MoKα","","0.0375","0.0364","","","0.1035","0.1055","","","","","","1.063","","","","has coordinates,has disorder","204025","2020-10-21","18:00:00",""
"4033256","6.8905","0.0004","22.4857","0.0012","16.6825","0.0008","90","","93.375","0.002","90","","2580.3","0.2","296","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br N2 O4 S -","- C27 H25 Br N2 O4 S -","- C108 H100 Br4 N8 O16 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1067","0.0761","","","0.1309","0.1411","","","","","","1.206","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033257","7.2655","0.0004","8.5522","0.0004","27.6699","0.0019","90","","96.753","0.006","90","","1707.37","0.17","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N O2 S -","- C18 H19 Br N O2 S -","- C72 H76 Br4 N4 O8 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1126","0.0928","","","0.2483","0.2578","","","","","","1.135","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033258","11.307","0.003","18.799","0.005","10.72","0.003","90","","115.779","0.007","90","","2051.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C108 H84 N12 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","A C-H Oxidation/Two-Fold Cyclization Approach to Imidazopyridoindole Scaffold under Mild Oxidizing Conditions.","The Journal of organic chemistry","2017","82","24","13671","13677","10.1021/acs.joc.7b02448","","","0.71073","MoKα","","0.0972","0.054","","","0.1284","0.1546","","","","","","0.968","","","","has coordinates","204815","2020-10-21","18:00:00",""
"4033259","17.7803","0.0006","25.6504","0.0008","20.8183","0.0006","90","","92.2807","0.0011","90","","9487.1","0.5","131","2","130.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H120 I N2 O2 Yb -","- C114 H120 I N2 O2 Yb -","- C456 H480 I4 N8 O8 Yb4 -","4","1","","Wang, Weifan; Shen, Xingchao; Zhao, Fengyi; Jiang, Huan; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Ytterbium-Catalyzed Hydroboration of Aldehydes and Ketones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02076","","","0.71073","MoKα","","0.0637","0.0378","","","0.0846","0.0946","","","","","","1.03","","","","has coordinates","204053","2020-10-21","18:00:00",""
"4033260","7.9922","0.0005","8.6781","0.0005","12.2571","0.0007","91.753","0.001","97.967","0.001","98.996","0.001","830.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","G02951040","gene334","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C44 H44 N4 O2 -","2","1","","Chen, Anthony Y.; Lu, Qianqian; Fu, Yao; Sarpong, Richmond; Stoltz, Brian M.; Zhang, Haiming","Isocanthine Synthesis via Rh(III)-Catalyzed Intramolecular C─H Functionalization.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02731","","","0.71073","MoKα","","0.0542","0.0399","","","0.0969","0.1094","","","","","","1.053","","","","has coordinates","204086","2020-10-21","18:00:00",""
"4033261","7.7348","0.0017","11.031","0.002","18.97","0.004","90","","99.071","0.007","90","","1598.3","0.6","293","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.2126","0.1334","","","0.375","0.4194","","","","","","1.316","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4033262","8.756","0.002","8.879","0.002","9.397","0.002","84.18","0.004","73.556","0.004","74.346","0.004","674.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.0674","0.0547","","","0.1347","0.144","","","","","","1.037","","","","has coordinates","204088","2020-10-21","18:00:00",""
"4033263","10.377","0.005","22.737","0.005","8.394","0.005","90","0.005","103.551","0.005","90","0.005","1925.4","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.1162","0.0588","","","0.166","0.2172","","","","","","1.263","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4033264","33.7382","0.0008","26.6877","0.0008","4.17233","0.00011","90","","90","","90","","3756.74","0.17","117","","117","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H7 I O4 -","- C8 H7 I O4 -","- C128 H112 I16 O64 -","16","1","","Dieckmann, Michael Christian; Dakas, Pierre-Yves; De Mesmaeker, Alain","Synthetic access to non-canonical strigolactones - Syntheses of carlactonic acid and methyl carlactonoate.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02465","","","1.54184","CuKα","","0.0685","0.068","","0.1608","0.1599","0.1608","","","","","","0.9423","","","","has coordinates","204090","2020-10-21","18:00:00",""
"4033265","4.2649","0.0018","27.927","0.007","9.166","0.002","90","","100.79","0.03","90","","1072.4","0.6","117","","117","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 I O5 -","- C9 H9 I O5 -","- C36 H36 I4 O20 -","4","1","","Dieckmann, Michael Christian; Dakas, Pierre-Yves; De Mesmaeker, Alain","Synthetic access to non-canonical strigolactones - Syntheses of carlactonic acid and methyl carlactonoate.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02465","","","1.54184","CuKα","","0.0881","0.0742","","0.1463","0.1409","0.1463","","","","","","1.0978","","","","has coordinates","204091","2020-10-21","18:00:00",""
"4033266","11.1961","0.0006","6.5619","0.0003","12.9957","0.0008","90","","100.474","0.002","90","","938.86","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Periasamy, Mariappan; Mohan, Lakavathu; Satyanarayana, Iddum; Reddy, Polimera Obula","Enantioselective Synthesis of β-Allenoates via Phosphine Catalysed and ZnI2 Promoted Preparation of Oxozolidines and Propargylamines using Chiral Amines, 1-Alkynes and Propiolates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02632","","","0.71073","MoKα","","0.0469","0.0377","","","0.0804","0.0838","","","","","","1.108","","","","has coordinates","204092","2020-10-21","18:00:00",""
"4033267","27.273","0.011","8.882","0.004","23.383","0.015","90","","124.068","0.007","90","","4692","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H50 N2 O6 S2 -","- C56 H50 N2 O6 S2 -","- C224 H200 N8 O24 S8 -","4","0.5","","Yu, Ruixia; Li, Dejun; Zeng, Fanlong","Palladium-Catalyzed Sequential Vinylic C-H Arylation/Amination of 2-Vinylanilines with Aryl boronic Acids: Access to 2-Arylindoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02728","","","0.71073","MoKα","","0.0835","0.0503","","","0.123","0.1411","","","","","","1","","","","has coordinates","204093","2020-10-21","18:00:00",""
"4033268","18.4527","0.0008","14.5187","0.0008","7.1119","0.0003","90","","90","","90","","1905.34","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H18 N6 O4 -","- C17 H18 N6 O4 -","- C68 H72 N24 O16 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","","1.54178","CuKα","","0.043","0.0405","","","0.0955","0.0977","","","","","","1.063","","","","has coordinates,has disorder","204163","2020-10-21","18:00:00",""
"4033269","27.8891","0.0004","11.56007","0.00017","11.29536","0.00018","90","","96.1043","0.0013","90","","3620.98","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl2 N2 O4 -","- C14 H22 Cl2 N2 O4 -","- C112 H176 Cl16 N16 O32 -","8","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.0432","0.0414","","","0.1178","0.12","","","","","","1.073","","","","has coordinates","204164","2020-10-21","18:00:00",""
"4033270","12.60521","0.00006","10.85069","0.00004","13.53848","0.00007","90","","102.191","0.0005","90","","1809.97","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl2 N2 O5 -","- C15 H22 Cl2 N2 O5 -","- C60 H88 Cl8 N8 O20 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.0298","0.0296","","","0.0823","0.0824","","","","","","1.063","","","","has coordinates","204165","2020-10-21","18:00:00",""
"4033271","14.02756","0.0001","5.73781","0.00004","21.00103","0.00012","90","","102.12","0.0007","90","","1652.64","0.019","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F2 N2 O4 -","- C14 H22 F2 N2 O4 -","- C56 H88 F8 N8 O16 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.038","0.0378","","","0.0967","0.0968","","","","","","1.135","","","","has coordinates","204166","2020-10-21","18:00:00",""
"4033272","14.315","0.005","14.891","0.005","11.713","0.003","90","","101.631","0.007","90","","2445.5","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Singh, Karandeep; Malviya, Bhanwar Kumar; Roy, Tapta Kanchan; Mithu, Venus Singh; Bhardwaj, Vimal K.; Verma, Ved Prakash; Chimni, Swapandeep Singh; Sharma, Siddharth","Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02123","","","0.71073","MoKα","","0.0701","0.0479","","","0.1333","0.1516","","","","","","0.953","","","","has coordinates","276351","2022-06-28","16:38:26",""
"4033273","22.0109","0.0008","9.054","0.0003","26.4648","0.001","90","","97.775","0.002","90","","5225.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C232 H240 N16 O40 -","8","2","","Singh, Karandeep; Malviya, Bhanwar Kumar; Roy, Tapta Kanchan; Mithu, Venus Singh; Bhardwaj, Vimal K.; Verma, Ved Prakash; Chimni, Swapandeep Singh; Sharma, Siddharth","Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02123","","","0.71073","MoKα","","0.2507","0.0899","","","0.1968","0.2581","","","","","","1.015","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033274","7.6666","0.00001","11.5376","0.00011","14.24527","0.00016","90","","90","","90","","1260.05","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R) N-methyl-3-(4-cyanophenoxy)piperidine","4-((1-methylpiperidin-3-yl)oxy)benzonitrile","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Aricò, Fabio; Aldoshin, Alexander S.; Musolino, Manuele; Crisma, Marco; Tundo, Pietro","β-Aminocarbonates in regioselective and ring expansion reactions.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02609","","","1.54178","CuKα","","0.0369","0.0362","","","0.1047","0.1061","","","","","","1.001","","","","has coordinates","204197","2020-10-21","18:00:00",""
"4033277","8.2569","0.0003","9.8339","0.00016","37.9262","0.0011","90","","90","","90","","3079.51","0.15","109.2","","109.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 O9 -","- C32 H44 O9 -","- C128 H176 O36 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0478","0.045","","","0.1213","0.1244","","","","","","1.056","","","","has coordinates","204223","2020-10-21","18:00:00",""
"4033278","8.37266","0.00019","12.3721","0.0003","28.5539","0.0007","90","","90","","90","","2957.82","0.12","103.5","","103.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O10 -","- C31 H40 O10 -","- C124 H160 O40 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0405","0.0378","","","0.0918","0.0944","","","","","","1.027","","","","has coordinates","204224","2020-10-21","18:00:00",""
"4033279","19.8182","0.0011","5.9878","0.0003","36.1268","0.0017","90","","96.953","0.004","90","","4255.5","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 O -","- C27 H32 O -","- C216 H256 O8 -","8","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","1.54178","CuKα","","0.0905","0.0557","","0.1333","0.12","0.1333","","","","","","1.0052","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033280","13.181","0.003","13.877","0.003","16.365","0.004","101.985","0.007","96.122","0.007","90.289","0.008","2910.3","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H45 B Cl2 F24 O -","- C60 H45 B Cl2 F24 O -","- C120 H90 B2 Cl4 F48 O2 -","2","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","0.71073","MoKα","","0.098","0.0543","","0.1388","0.1175","0.1388","","","","","","0.9414","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033281","9.7072","0.0015","9.9398","0.0016","18.474","0.003","79.874","0.005","83.488","0.005","61.399","0.004","1539.7","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 F6 O7 S2 -","- C29 H32 F6 O7 S2 -","- C58 H64 F12 O14 S4 -","2","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","0.71073","MoKα","","0.1399","0.0663","","0.13","0.1086","0.1299","","","","","","0.9972","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033282","15.6496","0.0001","15.6496","0.0001","28.7595","0.0003","90","","90","","120","","6099.84","0.08","294","2","294.15","","","","","","","","","4","P 65","P 65","170","","","","- C39 H43 N O4 -","- C39 H43 N O4 -","- C234 H258 N6 O24 -","6","1","","Zhang, Zhi-Pei; Xie, Kai-Xue; Yang, Chen; Li, Man; Li, Xin","Asymmetric Synthesis of Dihydrocoumarins through Chiral Phosphoric Acid Catalyzed Cycloannulation of para-Quinone Methides and Azlactones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02750","","x-ray","1.54184","CuKα","","0.0572","0.0542","","","0.1594","0.1636","","","","","","1.083","","","","has coordinates,has disorder","204297","2020-10-21","18:00:00",""
"4033283","6.4362","0.0002","10.8331","0.0004","11.9492","0.0004","99.468","0.003","94.704","0.003","92.002","0.003","818.03","0.05","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.0379","0.0366","","","0.0975","0.0986","","","","","","1.056","","","","has coordinates","204367","2020-10-21","18:00:00",""
"4033284","11.4358","0.0001","13.4434","0.0002","14.1728","0.0001","92.76","0.001","105.302","0.001","112.175","0.001","1919.36","0.04","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C36 H37 Cl6 N2 O P Pd -","- C36 H37 Cl6 N2 O P Pd -","- C72 H74 Cl12 N4 O2 P2 Pd2 -","2","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.052","0.0513","","","0.138","0.1394","","","","","","1.037","","","","has coordinates,has disorder","204368","2020-10-21","18:00:00",""
"4033285","11.3094","0.0001","10.5306","0.0001","17.0804","0.0002","90","","104.561","0.001","90","","1968.85","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.0453","0.0411","","","0.1109","0.1141","","","","","","0.989","","","","has coordinates","204369","2020-10-21","18:00:00",""
"4033286","9.9842","0.0003","12.356","0.0004","28.8578","0.0009","90","","90","","90","","3560.04","0.19","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","1.54178","CuKα","","0.0777","0.0697","","","0.1513","0.1572","","","","","","1.202","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033287","13.8774","0.0016","14.2945","0.0017","14.3692","0.0017","103.262","0.001","111.374","0.001","97.458","0.001","2511","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O6 S -","- C27 H22 N2 O6 S -","- C108 H88 N8 O24 S4 -","4","2","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","0.71073","MoKα","","0.0556","0.0444","","","0.1235","0.1355","","","","","","0.969","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033288","9.486","0.009","10.99","0.01","23.98","0.02","90","","96.153","0.011","90","","2486","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","0.71073","MoKα","","0.0923","0.0676","","","0.2131","0.2381","","","","","","0.938","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033289","9.1273","0.0004","9.0984","0.0003","13.1203","0.0005","90","","109.613","0.002","90","","1026.35","0.07","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","","0.71073","MoKα","","0.0497","0.0396","","","0.1065","0.1147","","","","","","1.072","","","","has coordinates","204424","2020-10-21","18:00:00",""
"4033290","36.124","0.012","9.409","0.003","14.68","0.004","90","","93.39","0.008","90","","4981","3","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C88 H134 N12 O25 -","- C88 H134 N12 O25 -","- C176 H268 N24 O50 -","2","0.5","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","x-ray","0.71073","MoKα","","0.2605","0.0727","","","0.118","0.164","","","","","","0.929","","","","has coordinates","204424","2020-10-21","18:00:00",""
"4033291","10.2216","0.0005","19.0596","0.0008","14.1017","0.0006","90","","111.156","0.002","90","","2562.1","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H64 Cl3 N4 O12 -","- C47 H64 Cl3 N4 O12 -","- C94 H128 Cl6 N8 O24 -","2","1","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","","1.54178","CuKα","","0.0918","0.0832","","","0.2164","0.2247","","","","","","1.025","","","","has coordinates,has disorder","204424","2020-10-21","18:00:00",""
"4033292","8.5396","0.0003","22.9076","0.0009","10.1423","0.0004","90","","110.364","0.001","90","","1860.05","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H26 F3.85 O2 -","- C21 H26 F4 O2 -","- C84 H104 F16 O8 -","4","1","","Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of C2-Symmetric gem-Difluoromethylenated Angular Triquinanes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02777","","x-ray","1.54178","CuKα","K-L~3~","0.0404","0.0398","","","0.0958","0.0962","","","","","","1.062","","","","has coordinates,has disorder","204495","2020-10-21","18:00:00",""
"4033293","5.04","0.004","15.346","0.012","20.856","0.016","90","","90","","90","","1613","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Markad, Shivaji B.; Argade, Narshinha P.","Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02773","","","0.71073","MoKα","","0.3228","0.1026","","","0.1577","0.2271","","","","","","0.932","","","","has coordinates","204496","2020-10-21","18:00:00",""
"4033294","8.026","0.002","15.032","0.004","15.483","0.004","118.732","0.006","95.617","0.007","91.557","0.006","1624.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","2","","Markad, Shivaji B.; Argade, Narshinha P.","Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02773","","","0.71073","MoKα","","0.129","0.1151","","","0.3309","0.3411","","","","","","1.158","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033295","14.4718","0.0007","10.0431","0.0002","23.5998","0.0012","90","","104.043","0.005","90","","3327.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O2 S -","- C19 H14 N2 O2 S -","- C152 H112 N16 O16 S8 -","8","2","","Guo, Yu-Jing; Lu, Shuai; Tian, Lu-Lu; Huang, En-Ling; Hao, Xin-Qi; Zhu, Xinju; Shao, Tian; Song, Mao-Ping","Iodine-Mediated Difunctionalization of Imidazopyridines with Sodium Sulfinates: Synthesis of Sulfones and Sulfides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02734","","x-ray","1.54184","CuKα","","0.0654","0.051","","","0.1367","0.1519","","","","","","1.021","","","","has coordinates","204548","2020-10-21","18:00:00",""
"4033296","8.2076","0.0009","21.487","0.002","11.6395","0.0013","90","","90.207","0.004","90","","2052.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl O5 S -","- C22 H21 Cl O5 S -","- C88 H84 Cl4 O20 S4 -","4","1","","Thangamani, Murugesan; Kannupal, Srinivasan","Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02335","","","0.71073","MoKα","","0.1117","0.0786","","","0.2347","0.2584","","","","","","1.052","","","","has coordinates,has disorder","204572","2020-10-21","18:00:00",""
"4033297","17.832","0.002","11.4226","0.0013","22.574","0.003","90","","100.618","0.004","90","","4519.3","0.9","297","2","297.21","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C47 H43 N2 O14 -","- C47 H43 N2 O14 -","- C188 H172 N8 O56 -","4","1","","Thangamani, Murugesan; Kannupal, Srinivasan","Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02335","","","0.71073","MoKα","","0.1508","0.0888","","","0.2426","0.2842","","","","","","1.018","","","","has coordinates,has disorder","204573","2020-10-21","18:00:00",""
"4033298","35.3009","0.0009","6.1173","0.0001","17.1933","0.0004","90","","118.139","0.001","90","","3273.99","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N2 O3 S2 -","- C15 H16 N2 O3 S2 -","- C120 H128 N16 O24 S16 -","8","1","","Chen, Yongtao; Wang, Shuaifeng; Jiang, Qianwen; Cheng, Cungui; Xiao, Xiaohui; Zhu, Gangguo","Palladium-Catalyzed Site-Selective sp3 C-H Bond Thiocyanation of 2-Aminofurans.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02700","","","0.71073","MoKα","","","0.0594","","","0.1387","0.1695","","","","","","1.093","","","","has coordinates","204607","2020-10-21","18:00:00",""
"4033299","12.3768","0.0002","8.25551","0.00015","30.2129","0.0006","90","","98.416","0.007","90","","3053.81","0.11","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N2 -","- C41 H40 N2 -","- C164 H160 N8 -","4","1","","Tateno, Kotaro; Ogawa, Rie; Sakamoto, Ryota; Tsuchiya, Mizuho; Kutsumura, Noriki; Otani, Takashi; Ono, Kosuke; Kawai, Hidetoshi; Saito, Takao","Dibenzopyrrolo[1,2-a][1,8]naphthyridines: Synthesis and Structural Modification of Fluorescent L-Shaped Heteroarenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02674","","","1.54187","CuKα","","0.1035","0.0647","","","0.1554","0.1735","","","","","","1.054","","","","has coordinates","204608","2020-10-21","18:00:00",""
"4033300","17.8601","0.0017","24.785","0.003","9.4639","0.0009","90","","90","","90","","4189.3","0.8","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C20 H27 N O3 S Si -","- C20 H27 N O3 S Si -","- C160 H216 N8 O24 S8 Si8 -","8","1","","Wu, Weiming; Chen, Tianyu; Chen, Junjie; Han, Xiuling","Cationic Palladium(II)-Catalyzed Reductive Cyclization of Alkynyl Cyclohexadienones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02641","","","0.71073","MoKα","","0.035","0.03","","","0.0791","0.084","","","","","","1.047","","","","has coordinates","204610","2020-10-21","18:00:00",""
"4033301","10.4345","0.0009","17.0184","0.0014","17.4029","0.0015","90","","90","","90","","3090.4","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Cl2 N4 O4 P -","- C28 H39 Cl2 N4 O4 P -","- C112 H156 Cl8 N16 O16 P4 -","4","1","","Zhang, Haowei; Yang, Zhen; Zhao, Brian Nlong; Li, Guigen","Group-Assisted Purification (GAP) chemistry for Asymmetric Mannich-type reaction of chiral N-phosphonyl imines with azlactones leading to syntheses of α-quaternary α, β-diamino acid derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02556","","","0.71073","MoKα","","0.1203","0.0531","","","0.0654","0.0739","","","","","","1.017","","","","has coordinates","204611","2020-10-21","18:00:00",""
"4033309","13.1837","0.0014","7.2636","0.0008","10.4068","0.0011","90","","90","","90","","996.57","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0505","0.0452","","","0.1219","0.128","","","","","","1.058","","","","has coordinates","204740","2020-10-21","18:00:00",""
"4033310","17.9542","0.0008","11.5049","0.0005","7.3428","0.0003","90","","90","","90","","1516.74","0.11","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Sarie, Jérôme C; Thiehoff, Christian; Mudd, Richard J.; Daniliuc, Constantin G.; Kehr, Gerald; Gilmour, Ryan","Deconstructing the Catalytic, Vicinal Difluorination of Alkenes: HF-Free Synthesis and Structural Study of p-TolIF2.","The Journal of organic chemistry","2017","82","22","11792","11798","10.1021/acs.joc.7b01671","","","0.71073","MoKα","","0.0241","0.0197","","","0.0386","0.0399","","","","","","1.044","","","","has coordinates","204741","2020-10-21","18:00:00",""
"4033311","7.8333","0.0001","11.4999","0.0002","11.9889","0.0002","74.5871","0.0008","79.3292","0.0007","84.4982","0.0006","1021.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C44 H46 N2 O12 -","2","1","","Laevens, Benjamin A.; Tao, Jason; Murphy, Graham K.","Iodide-Mediated Synthesis of Spirooxindolo Dihydrofurans from Iodonium Ylides and 3-Alkylidene-2-oxindoles.","The Journal of organic chemistry","2017","82","22","11903","11908","10.1021/acs.joc.7b01639","","","0.71073","MoKα","","0.0541","0.0411","","","0.0792","0.0849","","","","","","1.158","","","","has coordinates","204742","2020-10-21","18:00:00",""
"4033312","8.0597","0.0007","8.0602","0.0007","12.276","0.001","85.354","0.007","76.767","0.007","64.817","0.009","702.4","0.12","291.9","0.3","291.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br F3 N2 O2 -","- C13 H10 Br F3 N2 O2 -","- C26 H20 Br2 F6 N4 O4 -","2","1","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1011","0.0647","","","0.1434","0.1777","","","","","","1.029","","","","has coordinates","204743","2020-10-21","18:00:00",""
"4033313","12.9089","0.0008","24.6306","0.0018","9.2995","0.0008","90","","104.03","0.007","90","","2868.6","0.4","289.53","0.1","289.53","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 N2 O2 -","- C14 H13 F3 N2 O2 -","- C112 H104 F24 N16 O16 -","8","2","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1125","0.0655","","","0.1571","0.1925","","","","","","1.028","","","","has coordinates","204744","2020-10-21","18:00:00",""
"4033314","6.5955","0.0003","10.6686","0.0005","17.0119","0.0012","90","","90.016","0.006","90","","1197.04","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O4 S2 -","- C11 H11 N O4 S2 -","- C44 H44 N4 O16 S8 -","4","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1501","0.0851","","","0.1846","0.2634","","","","","","1.226","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033315","13.4331","0.0004","5.37","0.0002","28.625","0.002","90","","97.81","0.007","90","","2045.73","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O5 S -","- C10 H9 N O5 S -","- C80 H72 N8 O40 S8 -","8","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1351","0.0801","","","0.1347","0.1609","","","","","","1.038","","","","has coordinates,has disorder","204745","2020-10-21","18:00:00",""
"4033316","5.5612","0.0001","14.2627","0.0003","19.1433","0.0013","90","","90","","90","","1518.4","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N O2 P -","- C18 H18 N O2 P -","- C72 H72 N4 O8 P4 -","4","1","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.0402","0.0374","","","0.0912","0.0986","","","","","","1.082","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033317","7.6895","0.0004","12.8374","0.0005","17.1516","0.0006","90","","90","","90","","1693.09","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Levitre, Guillaume; Dumoulin, Audrey; Retailleau, Pascal; Panossian, Armen; Leroux, Frédéric R; Masson, Géraldine","Asymmetric α-Sulfonyl- and α-Phosphoryl-Oxylation of Ketones by a Chiral Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11877","11883","10.1021/acs.joc.7b01597","","x-ray","0.71073","MoKα","","0.0337","0.0265","","","0.0549","0.0571","","","","","","1.068","","","","has coordinates","204746","2020-10-21","18:00:00",""
"4033318","8.5473","0.0002","10.2561","0.0002","12.8964","0.0003","71.289","0.002","71.171","0.002","75.331","0.002","999.24","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl3 N2 O6 S -","- C16 H19 Cl3 N2 O6 S -","- C32 H38 Cl6 N4 O12 S2 -","2","1","","Rey-Rodriguez, Romain; Grelier, Gwendal; Habert, Loïc; Retailleau, Pascal; Darses, Benjamin; Gillaizeau, Isabelle; Dauban, Philippe","Reaction of Ynamides with Iminoiodinane-Derived Nitrenes: Formation of Oxazolones and Polyfunctionalized Oxazolidinones.","The Journal of organic chemistry","2017","82","22","11897","11902","10.1021/acs.joc.7b01623","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0897","0.0961","","","","","","1.053","","","","has coordinates","204747","2020-10-21","18:00:00",""
"4033319","14.2906","0.0007","5.9928","0.0004","22.8149","0.0012","90","","93.389","0.007","90","","1950.47","0.19","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Shimogaki, Mio; Fujita, Morifumi; Sugimura, Takashi","Enantioselective C-C Bond Formation during the Oxidation of 5-Phenylpent-2-enyl Carboxylates with Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11836","11840","10.1021/acs.joc.7b01141","","","0.71075","MoKα","","0.0874","0.0572","","","0.1348","0.1455","","","","","","1.092","","","","has coordinates","204748","2020-10-21","18:00:00",""
"4033320","13.1542","0.0017","5.9354","0.0008","21.289","0.003","90","","99.3213","0.0016","90","","1640.2","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N -","- C21 H14 I N -","- C84 H56 I4 N4 -","4","1","","Sasaki, Teppei; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3-Iodoquinolines from N-Tosyl-2-propynylamines with Diaryliodonium Triflate and N-Iodosuccinimide.","The Journal of organic chemistry","2017","82","22","11727","11734","10.1021/acs.joc.7b01433","","","0.71073","MoKα","","0.0482","0.0322","","","0.0837","0.1133","","","","","","1.139","","","","has coordinates,has disorder","204749","2020-10-21","18:00:00",""
"4033345","10.286","0.002","13.899","0.005","33.15","0.02","90","","90","","90","","4739","3","80","2","80","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","MFA-MA-148_80K","","- C48 H57 Cl2 N3 O10 -","- C48 H57 Cl2 N3 O10 -","- C192 H228 Cl8 N12 O40 -","4","1","","Meng, Zhanchao; Souillart, Laetitia; Monks, Brendan; Huwyler, Nikolas; Herrmann, Jennifer; Müller, Rolf; Fürstner, Alois","A ""Motif-Oriented"" Total Synthesis of Nannocystin Ax. Preparation and Biological Assessment of Analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02871","","","0.5636","synchrotron","","0.0587","0.0462","","","0.1183","0.1261","","","","","","1.091","","","","has coordinates","205050","2020-10-21","18:00:00",""
"4036788","12.3295","0.0011","13.0067","0.0012","18.5167","0.0016","82.403","0.002","75.715","0.001","70.487","0.001","2708.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H49 Br2 N5 O7 S2 -","- C63 H49 Br2 N5 O7 S2 -","- C126 H98 Br4 N10 O14 S4 -","2","1","","Fan, Wei; Yang, Zhen; Jiang, Bo; Li, Guigen","I<sub>2</sub>-Catalyzed sulfenylation of indoles and pyrroles using triethylammonium thiolates as sulfenylating agents.","Organic chemistry frontiers : an international journal of organic chemistry","2017","4","6","1091","1102","10.1039/C6QO00851H","","","0.71073","MoKα","","0.2123","0.0947","","","0.2052","0.2263","","","","","","1.103","","","","has coordinates,has disorder","235232","2020-10-21","18:00:00",""
"4037467","10.539","0.0012","19.502","0.002","14.1053","0.0017","90","","111.24","0.004","90","","2702.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl2 F3 N2 O4 -","- C27 H21 Cl2 F3 N2 O4 -","- C108 H84 Cl8 F12 N8 O16 -","4","1","","Lei, Ruirui; Wu, Yong; Dong, Suzhen; Jia, Kaili; Liu, Shunying; Hu, Wenhao","A Diastereoselective Multicomponent Reaction for Construction of Alkynylamide-Substituted α,β-Diamino Acid Derivatives To Hunt Hits.","The Journal of organic chemistry","2017","82","6","2862","2869","10.1021/acs.joc.6b02761","","","0.71073","MoKα","","0.1039","0.072","","","0.1991","0.23","","","","","","1.04","","","","has coordinates,has disorder","236198","2020-10-21","18:00:00",""
"4037468","23.6277","0.0009","24.7861","0.001","39.6556","0.0019","90","","90","","90","","23223.8","1.7","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C154 H170 I3 K2 N86 O67 -","- C154 H170 I3 K2 N86 O67 -","- C616 H680 I12 K8 N344 O268 -","4","1","","Gong, Wanjun; Ma, Jun; Zhao, Zhiyong; Gao, Fang; Liang, Feng; Zhang, Haijun; Liu, Simin","Inhibition and Stabilization: Cucurbituril Induced Distinct Effects on the Schiff Base Reaction.","The Journal of organic chemistry","2017","82","6","3298","3301","10.1021/acs.joc.6b02971","","","1.54178","CuKα","","0.1812","0.1375","","","0.3117","0.3548","","","","","","0.973","","","","has coordinates","236201","2020-10-21","18:00:00",""
"4037469","20.8688","0.0006","20.8688","0.0006","12.2249","0.0004","90","","90","","120","","4610.7","0.2","290","2","290","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C171 H135 Br9 N18 O27 -","9","1","","Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin","Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams.","The Journal of organic chemistry","2017","82","7","3908","3916","10.1021/acs.joc.6b03090","","","1.54184","CuKα","","0.0266","0.0264","","","0.071","0.0713","","","","","","1.048","","","","has coordinates","236203","2020-10-21","18:00:00",""
"4037470","12.177","0.003","8.5411","0.0014","14.152","0.004","90","","117.632","0.019","90","","1304","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Jiao, Yan-Xiao; Wu, Ling-Ling; Zhu, Hai-Miao; Qin, Jiang-Ke; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","Tandem C-N Bond Formation through Condensation and Metal-Free N-Arylation: Protocol for Synthesizing Diverse Functionalized Quinoxalines.","The Journal of organic chemistry","2017","82","8","4407","4414","10.1021/acs.joc.7b00011","","","0.7107","MoKα","","0.1195","0.0697","","","0.1171","0.1453","","","","","","1.775","","","","has coordinates","236205","2020-10-21","18:00:00",""
"4037471","10.1206","0.0002","10.1349","0.0002","21.0311","0.0005","90","","90","","90","","2157.19","0.08","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Manchala, Narasimhulu; Law, Hanson Y. L.; Kerr, Daniel J.; Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Multistereocenter-Containing Cyclopentanoids from Ynamides via Oxazolidinone-Controlled Nazarov Cyclization.","The Journal of organic chemistry","2017","82","13","6511","6527","10.1021/acs.joc.7b00082","","","1.5418","CuKα","","0.0438","0.0418","","","0.1044","0.1059","","","","","","0.989","","","","has coordinates","236207","2020-10-21","18:00:00",""
"4037472","11.6875","0.0017","12.1777","0.0018","12.2214","0.0017","94.92","0.003","111.382","0.002","116.846","0.002","1377.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.1587","0.0548","","","0.0573","0.0706","","","","","","1.164","","","","has coordinates","236209","2020-10-21","18:00:00",""
"4037473","14.837","0.002","10.7069","0.0016","16.375","0.003","90","","110.019","0.003","90","","2444.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C104 H140 N4 O16 -","4","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.0955","0.0465","","","0.1123","0.138","","","","","","1.023","","","","has coordinates","236211","2020-10-21","18:00:00",""
"4037474","11.6882","0.0001","7.9358","0.0001","20.2157","0.0002","90","","105.231","0.001","90","","1809.25","0.03","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sun, Jianan; Hu, Yanbin; Li, Yanan; Zhang, Sheng; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Chemoselective and Enantioselective Friedel-Crafts 1,2-Addition of Pyrrole with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2017","82","10","5102","5110","10.1021/acs.joc.7b00159","","","1.54184","CuKα","","0.0347","0.0326","","","0.0892","0.0918","","","","","","1.025","","","","has coordinates","236213","2020-10-21","18:00:00",""
"4037475","9.6731","0.0003","8.3989","0.0002","12.0183","0.0003","90","","92.185","0.001","90","","975.7","0.05","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N O2 P -","- C19 H27 Cl N O2 P -","- C38 H54 Cl2 N2 O4 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0219","0.0217","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","236216","2020-10-21","18:00:00",""
"4037476","13.8893","0.0005","6.8939","0.0003","15.5331","0.0006","90","","108.119","0.002","90","","1413.56","0.1","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H37 B N3 O5 P -","- C27 H37 B N3 O5 P -","- C54 H74 B2 N6 O10 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0354","0.034","","","0.088","0.0888","","","","","","1.052","","","","has coordinates","236217","2020-10-21","18:00:00",""
"4037477","4.0508","0.0005","12.2873","0.0015","15.1864","0.0019","103.756","0.002","94.792","0.002","109.637","0.002","680.37","0.15","137","2","137","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","1","0.5","","Evoniuk, Christopher J.; Gomes, Gabriel Dos Passos; Ly, Michelle; White, Frankie D.; Alabugin, Igor V.","Coupling Radical Homoallylic Expansions with C-C Fragmentations for the Synthesis of Heteroaromatics: Quinolines from Reactions of o-Alkenylarylisonitriles with Aryl, Alkyl, and Perfluoroalkyl Radicals.","The Journal of organic chemistry","2017","82","8","4265","4278","10.1021/acs.joc.7b00262","","","0.71073","MoKα","","0.0301","0.0263","","","0.062","0.0631","","","","","","1.154","","","","has coordinates","236219","2020-10-21","18:00:00",""
"4037478","6.62124","0.00007","13.29651","0.00013","34.1798","0.0004","90","","90","","90","","3009.17","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Cl3 F O6 -","- C30 H42 Cl3 F O6 -","- C120 H168 Cl12 F4 O24 -","4","1","","Pitts, Cody Ross; Siegler, Maxime A.; Lectka, Thomas","Intermolecular Aliphatic C-F···H-C Interaction in the Presence of ""Stronger"" Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies.","The Journal of organic chemistry","2017","82","7","3996","4000","10.1021/acs.joc.7b00268","","","1.54178","CuKα","","0.0359","0.0353","","","0.1003","0.1009","","","","","","1.092","","","","has coordinates","236221","2020-10-21","18:00:00",""
"4037479","10.2837","0.0007","14.9709","0.0009","9.7616","0.0006","90","","112.694","0.002","90","","1386.51","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0446","0.0389","","","0.1027","0.1075","","","","","","1.085","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037480","5.71443","0.00018","28.523","0.0008","10.7016","0.0004","90","","90.151","0.003","90","","1744.28","0.1","173","0.1","173","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0701","0.051","","","0.106","0.1177","","","","","","1.078","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037481","24.5382","0.0013","5.9207","0.0003","25.8385","0.0013","90","","104.266","0.006","90","","3638.1","0.3","173","0.1","173","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0718","0.0508","","","0.1077","0.1234","","","","","","1.066","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037482","54.96","0.02","9.068","0.003","12.209","0.004","90","","101.194","0.009","90","","5969","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H52 Cl2 N2 O3 -","- C62 H46 Cl2 N2 O3 -","- C248 H184 Cl8 N8 O12 -","4","1","","Yu, Yang; Li, Yawen; Wang, Xiaoqing; Nian, Hao; Wang, Le; Li, Jie; Zhao, Yanxia; Yang, Xiran; Liu, Simin; Cao, Liping","Cucurbit[10]uril-Based [2]Rotaxane: Preparation and Supramolecular Assembly-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2017","82","11","5590","5596","10.1021/acs.joc.7b00400","","","0.71073","MoKα","","0.1345","0.1022","","","0.2185","0.2298","","","","","","1.117","","","","has coordinates","236226","2020-10-21","18:00:00",""
"4037483","8.55","0.003","10.09","0.003","21.776","0.007","90","","93.816","0.008","90","","1874.4","1.1","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl N2 O -","- C23 H17 Cl N2 O -","- C92 H68 Cl4 N8 O4 -","4","1","","Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi","Ag-Catalyzed Intramolecular Sequential Vicinal Diamination of Alkynes with Isocyanates: Synthesis of Fused Indole-Cyclic Urea Derivatives.","The Journal of organic chemistry","2017","82","10","5169","5177","10.1021/acs.joc.7b00417","","","0.71075","MoKα","","0.1004","0.0525","","","0.1341","0.1508","","","","","","1.011","","","","has coordinates","236228","2020-10-21","18:00:00",""
"4037484","6.017","0.002","9.564","0.003","30.731","0.011","90.012","0.011","90.214","0.011","90.193","0.012","1768.4","1","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H21 O -","- C24 H20 O -","- C96 H80 O4 -","4","4","","Dey, Amrita; Ali, Md Ashif; Jana, Sourav; Hajra, Alakananda","Copper-Catalyzed Regioselective Synthesis of Multisubstituted Furans by Coupling between Ketones and Aromatic Olefins.","The Journal of organic chemistry","2017","82","9","4812","4818","10.1021/acs.joc.7b00476","","","0.71073","MoKα","","0.1239","0.0758","","","0.1897","0.2324","","","","","","0.969","","","","has coordinates","236230","2020-10-21","18:00:00",""
"4037485","5.9655","0.0005","8.3443","0.0004","29.031","0.002","90","","93.06","0.008","90","","1443.04","0.17","298","10","298","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0902","0.0526","","","0.1102","0.1351","","","","","","1.062","","","","has coordinates","236232","2020-10-21","18:00:00",""
"4037486","7.7523","0.0006","9.9375","0.0008","10.9445","0.0008","83.039","0.007","79.544","0.006","72.21","0.007","787.55","0.11","298","10","298","10","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.1011","0.0533","","","0.1007","0.1307","","","","","","1.059","","","","has coordinates","236234","2020-10-21","18:00:00",""
"4037487","8.78","0.0009","8.8815","0.0007","11.5174","0.0008","77.869","0.006","87.177","0.007","64.169","0.009","789.42","0.13","297.4","0.3","297.4","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C32 H30 N2 O10 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0561","0.0432","","","0.1067","0.1169","","","","","","1.052","","","","has coordinates","236236","2020-10-21","18:00:00",""
"4037488","9.8868","0.0011","15.861","0.002","18.957","0.0019","90","","90","","90","","2972.7","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed, Picolinamide-Assisted, Z-Selective γ-Arylation of Allylamines To Construct Z-Cinnamylamines.","The Journal of organic chemistry","2017","82","13","6550","6567","10.1021/acs.joc.7b00535","","","0.71075","MoKα","","0.1122","0.0786","","","0.1664","0.1878","","","","","","1.174","","","","has coordinates,has disorder","236237","2020-10-21","18:00:00",""
"4037489","21.6776","0.001","25.114","0.011","9.141","0.004","90","","99.182","0.006","90","","4913","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 B3 F6 N7 -","- C52 H36 B3 F6 N7 -","- C208 H144 B12 F24 N28 -","4","0.5","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis and Properties of Covalently Linked AzaBODIPY-BODIPY Dyads and AzaBODIPY-(BODIPY)<sub>2</sub> Triads.","The Journal of organic chemistry","2017","82","13","6568","6577","10.1021/acs.joc.7b00542","","","0.71075","MoKα","","0.1067","0.0644","","","0.1258","0.1424","","","","","","0.878","","","","has coordinates","236239","2020-10-21","18:00:00",""
"4037490","13.456","0.004","7.52","0.002","15.678","0.004","90","","105.424","0.006","90","","1529.3","0.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","","Xie, Yanan; Wu, Xiaowei; Li, Chunpu; Wang, Jiang; Li, Jian; Liu, Hong","Ruthenium(II)-Catalyzed Redox-Neutral [3+2] Annulation of Indoles with Internal Alkynes via C-H Bond Activation: Accessing a Pyrroloindolone Scaffold.","The Journal of organic chemistry","2017","82","10","5263","5273","10.1021/acs.joc.7b00575","","","0.71073","MoKα","","0.0854","0.0482","","","0.1189","0.1377","","","","","","1.016","","","","has coordinates","236241","2020-10-21","18:00:00",""
"4037491","8.2464","0.0005","16.2806","0.001","21.1267","0.0011","90","","97.119","0.006","90","","2814.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Br N3 O5 S -","- C30 H22 Br N3 O5 S -","- C120 H88 Br4 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","1.54184","CuKα","","0.1222","0.0946","","","0.2594","0.2736","","","","","","1.178","","","","has coordinates","236243","2020-10-21","18:00:00",""
"4037492","12.5227","0.0005","13.8588","0.0004","15.9556","0.0006","90","","101.452","0.004","90","","2713.96","0.17","292.78","0.1","292.78","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O5 S -","- C30 H23 N3 O5 S -","- C120 H92 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","0.71073","MoKα","","0.117","0.0619","","","0.1289","0.1636","","","","","","1.037","","","","has coordinates","236245","2020-10-21","18:00:00",""
"4037493","7.461","0.006","9.376","0.008","23.221","0.018","90","","105.93","0.02","90","","1562","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F7 N O -","- C15 H14 F7 N O -","- C60 H56 F28 N4 O4 -","4","1","","Zheng, Jinhua; Chen, Pan; Yuan, Yaofeng; Cheng, Jiajia","Pd-Catalyzed Arylperfluoroalkylation of Unactivated Olefins for the Synthesis of Heterocycles.","The Journal of organic chemistry","2017","82","11","5790","5797","10.1021/acs.joc.7b00598","","","0.71073","MoKα","","0.0764","0.0609","","","0.1886","0.2051","","","","","","1.041","","","","has coordinates","236247","2020-10-21","18:00:00",""
"4037494","8.8838","0.0006","8.9296","0.0011","13.3506","0.0008","97.838","0.007","98.644","0.005","91.067","0.008","1036.45","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Pradhan, Sourav; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Copper(II)-Mediated Chelation-Assisted Regioselective N-Naphthylation of Indoles, Pyrazoles and Pyrrole through Dehydrogenative Cross-Coupling.","The Journal of organic chemistry","2017","82","9","4883","4890","10.1021/acs.joc.7b00615","","","0.71073","MoKα","","0.063","0.0491","","","0.1001","0.1076","","","","","","1.048","","","","has coordinates","236248","2020-10-21","18:00:00",""
"4037495","7.305","0.0009","16.254","0.003","16.7183","0.0019","90","","90","","90","","1985.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl2 O16 -","- C40 H37.8 Cl2 O15.9 -","- C80 H75.6 Cl4 O31.8 -","2","0.5","","Moro, Artur J.; Parola, A. Jorge; Pina, Fernando; Pana, Ana-Maria; Badea, Valentin; Pausescu, Iulia; Shova, Sergiu; Cseh, Liliana","2,2'-Spirobis[chromene] Derivatives Chemistry and Their Relation with the Multistate System of Anthocyanins.","The Journal of organic chemistry","2017","82","10","5301","5309","10.1021/acs.joc.7b00634","","x-ray","1.54184","CuKα","","0.172","0.096","","","0.2311","0.3041","","","","","","1.003","","","","has coordinates,has disorder","236250","2020-10-21","18:00:00",""
"4037496","10.2517","0.0003","14.6838","0.0004","17.6105","0.0005","90","","90","","90","","2650.98","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N4 O4 S -","- C26 H30 N4 O4 S -","- C104 H120 N16 O16 S4 -","4","1","","Lin, Huihua; Zhou, Zijun; Cai, Jun; Han, Bowen; Gong, Lei; Meggers, Eric","Asymmetric Construction of 3,3-Disubstituted Oxindoles Bearing Vicinal Quaternary-Tertiary Carbon Stereocenters Catalyzed by a Chiral-at-Rhodium Complex.","The Journal of organic chemistry","2017","82","12","6457","6467","10.1021/acs.joc.7b00793","","","1.54184","CuKα","","0.0331","0.032","","","0.0877","0.0889","","","","","","1","","","","has coordinates","236251","2020-10-21","18:00:00",""
"4037497","7.2152","0.0003","14.0726","0.0007","20.7911","0.001","90","","90","","90","","2111.06","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Br2 -","- C28 H20 Br2 -","- C112 H80 Br8 -","4","1","","van Leeuwen, Thomas; Danowski, Wojciech; Otten, Edwin; Wezenberg, Sander J.; Feringa, Ben L.","Asymmetric Synthesis of Second-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2017","82","10","5027","5033","10.1021/acs.joc.7b00852","","","0.71073","MoKα","","0.017","0.0157","","","0.0392","0.0395","","","","","","1.084","","","","has coordinates","236252","2020-10-21","18:00:00",""
"4037498","10.7705","0.0007","10.1713","0.0006","15.4078","0.0009","90","","97.569","0.006","90","","1673.22","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N3 O4 -","- C16 H18 Br N3 O4 -","- C64 H72 Br4 N12 O16 -","4","1","","Satham, Lakshminarayana; Namboothiri, Irishi N. N.","Regio- and Diastereoselective Synthesis of Dihydropyridopyrimidines via Cascade Reactions of 2-Aminopyridines with Morita-Baylis-Hillman Bromides of Nitroalkenes.","The Journal of organic chemistry","2017","82","12","6482","6488","10.1021/acs.joc.7b00947","","","0.71073","MoKα","","0.0606","0.0497","","","0.1412","0.1499","","","","","","1.075","","","","has coordinates","236253","2020-10-21","18:00:00",""
"4037499","11.031","0.002","7.7855","0.0015","29.329","0.006","90","","90","","90","","2518.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Zhang, Ning; Lu, Xiao-Bing","1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3H)-ones.","The Journal of organic chemistry","2017","82","14","7637","7642","10.1021/acs.joc.7b00963","","","0.71073","MoKα","","0.0576","0.0428","","","0.0992","0.108","","","","","","1.047","","","","has coordinates","236254","2020-10-21","18:00:00",""
"4037500","14.8183","0.0013","11.2475","0.0002","15.815","0.003","90","","105.57","0.02","90","","2539.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H18 B2 Cl6 F20 N2 O2 -","- C50 H18 B2 Cl6 F20 N2 O2 -","- C100 H36 B4 Cl12 F40 N4 O4 -","2","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","","1.5418","CuKα","","0.0454","0.0424","","","0.1099","0.113","","","","","","1.061","","","","has coordinates,has disorder","236256","2020-10-21","18:00:00",""
"4037501","10.8339","0.001","11.6677","0.001","12.8335","0.0007","68.481","0.007","87.828","0.006","76.034","0.008","1462.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","1","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","x-ray","1.54184","CuKα","","0.1076","0.0657","","","0.1761","0.2142","","","","","","1.023","","","","has coordinates","236256","2020-10-21","18:00:00",""
"4037502","12.846","0.0014","5.5579","0.0006","22.666","0.002","90","","99.6153","0.0017","90","","1595.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Diccianni, Justin B.; Heitmann, Tyler; Diao, Tianning","Nickel-Catalyzed Reductive Cycloisomerization of Enynes with CO<sub>2</sub>.","The Journal of organic chemistry","2017","82","13","6895","6903","10.1021/acs.joc.7b01034","","","0.71073","MoKα","","0.0575","0.0468","","","0.12","0.1273","","","","","","1.044","","","","has coordinates,has disorder","236257","2020-10-21","18:00:00",""
"4037503","11.711","0.003","9.334","0.002","25.458","0.006","90","","99.53","0.006","90","","2744.4","1.1","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,12S*)-2-Butyl-14,14-bis(methoxycarbonyl)-9,9-dimethyl-12- phenylsulfonyltricyclo[9.4.0.03,8]tetradeca-1(15),3,5,7,10-tetraene","","- C31 H36 O6 S -","- C31 H36 O6 S -","- C124 H144 O24 S4 -","4","1","","Kawaguchi, Yasuaki; Yasuda, Shigeo; Mukai, Chisato","Mechanistic Investigation of Rh<sup>I</sup>-Catalyzed Cycloisomerization of Benzylallene-Internal Alkynes via C-H Activation.","The Journal of organic chemistry","2017","82","14","7666","7674","10.1021/acs.joc.7b01048","","","0.71075","MoKα","","","0.0972","","","","0.3107","","","","","","1.079","","","","has coordinates","236258","2020-10-21","18:00:00",""
"4037504","8.0414","0.0005","10.3635","0.0008","15.97","0.0013","90","","100.769","0.003","90","","1307.45","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Badigenchala, Sindhura; Sekar, Govindasamy","NIS Mediated Cross-Coupling of C(sp<sup>2</sup>)-H and N-H Bonds: A Transition-Metal-Free Approach toward Indolo[1,2-a]quinazolinones.","The Journal of organic chemistry","2017","82","14","7657","7665","10.1021/acs.joc.7b01080","","","0.71073","MoKα","","0.0544","0.0335","","","0.0653","0.0717","","","","","","1.03","","","","has coordinates","236259","2020-10-21","18:00:00",""
"4037505","12.529","","7.898","","12.87","","90","","103.96","","90","","1235.92","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","1","0.25","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0651","0.0447","","","0.1372","0.1553","","","","","","1.023","","","","has coordinates","236260","2020-10-21","18:00:00",""
"4037506","8.765","","13.009","","13.962","","90","","103.9","","90","","1545.38","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F2 N3 S -","- C18 H13 F2 N3 S -","- C72 H52 F8 N12 S4 -","4","1","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0744","0.0635","","","0.214","0.222","","","","","","1.645","","","","has coordinates","236262","2020-10-21","18:00:00",""
"4037507","11.425","","14.928","","15.76","","107.82","","111.14","","90.04","","2367.99","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H16 F N3 -","- C20 H16 F N3 -","- C120 H96 F6 N18 -","6","6","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0801","0.0344","","","0.1062","0.1322","","","","","","0.634","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037508","8.0727","0.0003","8.1831","0.0003","11.4988","0.0004","76.276","0.002","76.546","0.002","63.917","0.001","655.56","0.04","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C30 H32 N8 O2 -","2","1","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","0.71073","MoKα","","0.0428","0.0367","","","0.0964","0.102","","","","","","1.038","","","","has coordinates","236265","2020-10-21","18:00:00",""
"4037509","10.3427","0.0006","11.3011","0.0008","13.1434","0.0011","111.232","0.007","92.812","0.006","101.965","0.006","1387.82","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C60 H64 N16 O4 -","4","2","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","1.54178","CuKα","","0.0766","0.0587","","","0.1586","0.1807","","","","","","1.034","","","","has coordinates","236266","2020-10-21","18:00:00",""
"4037510","6.0926","0.0007","12.1228","0.0014","15.3871","0.0016","73.037","0.002","86.996","0.003","81.089","0.002","1073.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C36 H30 F6 N4 O8 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0815","0.0597","","","0.1662","0.1791","","","","","","1.05","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037511","11.873","0.002","13.795","0.003","14.934","0.003","74.128","0.004","74.345","0.004","88.89","0.004","2261.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 F3 N2 O2 S -","- C24 H23 F3 N2 O2 S -","- C96 H92 F12 N8 O8 S4 -","4","2","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0973","0.0643","","","0.1538","0.1915","","","","","","1.065","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037512","8.9029","0.0013","10.2491","0.0015","10.8402","0.0016","97.645","0.003","97.068","0.003","96.897","0.003","963.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 F3 N O3 S -","- C19 H20 F3 N O3 S -","- C38 H40 F6 N2 O6 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.076","0.0654","","","0.179","0.1909","","","","","","1.051","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037513","10.1421","0.0006","8.1506","0.0004","12.8445","0.0008","90","","112.215","0.007","90","","982.97","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,5S,7S)-7-[(benzyloxy)methyl]-2-tosyl-6-oxa-2-azabicyclo[3.2.1]octane","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Mahía, Alejandro; Badorrey, Ramón; Gálvez, José A; Díaz-de-Villegas, María D","Diastereoselective Construction of the 6-Oxa-2-azabicyclo[3.2.1]octane Scaffold from Chiral α-Hydroxyaldehyde Derivatives by the Aza-Prins Reaction.","The Journal of organic chemistry","2017","82","15","8048","8057","10.1021/acs.joc.7b01291","","","0.71073","MoKα","","0.0585","0.0428","","","0.0858","0.0952","","","","","","1.053","","","","has coordinates","236269","2020-10-21","18:00:00",""
"4037514","17.6246","0.0004","7.4786","0.0002","38.5418","0.0008","90","","90","","90","","5080.1","0.2","100","0.1","100","0.1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H22 -","- C44 H22 -","- C352 H176 -","8","1","","Tao, Yu-Tai; Pola, Someshwar; Kumar, Sushil; Islam, M. Minarul","Synthesis and Characterization of Contorted Pentabenzo-Fused Coronenes as Semiconducting Materials.","The Journal of organic chemistry","2017","82","15","8067","8071","10.1021/acs.joc.7b01328","","","0.71073","MoKα","","0.0489","0.0377","","","0.0963","0.1042","","","","","","1.034","","","","has coordinates","236271","2020-10-21","18:00:00",""
"4037515","21.76262","0.00016","21.76262","0.00016","7.96088","0.00012","90","","90","","90","","3770.37","0.07","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","","Funt, Liya D.; Tomashenko, Olesya A.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Pyrrolotriazoloisoquinoline Frameworks by Intramolecular Cu-Mediated or Free Radical Arylation of Triazoles.","The Journal of organic chemistry","2017","82","14","7583","7594","10.1021/acs.joc.7b01341","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0725","0.0741","","","","","","1.055","","","","has coordinates","236273","2020-10-21","18:00:00",""
"4037516","14.6934","0.0009","12.412","0.0009","35.719","0.003","90","","90","","90","","6514.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 O2.5 -","- C19 H16 N3 O2.5 -","- C304 H256 N48 O40 -","16","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0708","0.0411","","","0.084","0.0975","","","","","","1.01","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037517","12.094","0.003","7.0075","0.0017","21.832","0.005","90","","94.77","0.03","90","","1843.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C76 H84 N12 O20 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.56087","AgKα","","0.1109","0.0496","","","0.1004","0.1202","","","","","","0.906","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037518","9.5731","0.0005","14.4963","0.0009","18.9287","0.0011","90","","90","","90","","2626.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0681","0.0467","","","0.1197","0.133","","","","","","1.05","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037519","8.3266","0.0002","20.7583","0.0005","7.9994","0.0002","90","","108.102","0.001","90","","1314.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0442","0.0364","","","0.0917","0.0962","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037520","9.0834","0.0002","9.2348","0.0002","14.267","0.0003","90","","100.316","0.001","90","","1177.42","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.05","0.039","","","0.0964","0.1038","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037521","18.0896","0.0009","6.6427","0.0004","15.8147","0.0008","90","","123.025","0.003","90","","1593.32","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.1058","0.0579","","","0.1402","0.1645","","","","","","0.992","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037522","11.7967","0.0003","15.6496","0.0004","17.021","0.0004","90","","98.243","0.001","90","","3109.85","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","871","","","- C33 H21 B F15 N S -","- C33 H21 B F15 N S -","- C132 H84 B4 F60 N4 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0505","0.0381","","","0.0848","0.0906","","","","","","1.051","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037523","9.8635","0.0002","18.7943","0.0005","14.1422","0.0003","90","","92.769","0.001","90","","2618.59","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","843","","","- C30 H12 B F15 S -","- C30 H12 B F15 S -","- C120 H48 B4 F60 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0424","0.0333","","","0.0838","0.0901","","","","","","1.061","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037524","10.053","0.007","17.077","0.014","18.207","0.014","113.715","0.013","98.367","0.003","99.656","0.013","2742","4","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H47 Cl7 S4 -","- C67 H47 Cl7 S4 -","- C134 H94 Cl14 S8 -","2","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0997","0.0635","","","0.1759","0.1922","","","","","","1.025","","","","has coordinates,has disorder","236280","2020-10-21","18:00:00",""
"4037525","20.5308","0.001","18.073","0.007","15.785","0.007","90","","127.463","0.008","90","","4649","3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 S4 -","- C66 H50 S4 -","- C264 H200 S16 -","4","0.5","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0613","0.0458","","","0.1191","0.1263","","","","","","0.954","","","","has coordinates","236280","2020-10-21","18:00:00",""
"4037526","10.1911","0.0007","10.8544","0.0009","16.4245","0.0013","78.465","0.007","87.134","0.006","75.928","0.006","1726.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C72 H60 F4 N8 O20 -","4","2","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0869","0.0501","","","0.1086","0.1324","","","","","","1.013","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037527","11.2067","0.001","9.8995","0.0007","12.7175","0.0008","90","","92.537","0.007","90","","1409.51","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0708","0.0456","","","0.0986","0.1162","","","","","","1.029","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037528","8.1086","0.0008","9.7037","0.001","11.3963","0.0012","108.463","0.01","90.621","0.008","108.39","0.009","800.98","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N O2 S -","- C18 H18 N O2 S -","- C36 H36 N2 O4 S2 -","2","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.113","0.0817","","","0.2263","0.2667","","","","","","1.036","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037529","13.5394","0.0007","5.6134","0.0002","19.1987","0.001","90","","107.79","0.006","90","","1389.37","0.12","293","2","","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","x-ray","1.54184","CuKα","","0.0392","0.0371","","","0.1011","0.104","","","","","","1.0305","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4038946","11.154","0.0005","14.2902","0.0006","19.7538","0.0009","100.214","0.002","90.119","0.002","95.774","0.002","3082.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","6,6',6'',6'''-[6,12-dihydroindeno[1,2-b]fluorene -6,6,12,12-tetrayltetrakis(4,1-phenylene)] tetrakis(1,3,5-triazine-2,4-diamine) 1,4-dioxane solvate dimethyl sulfoxide solvate","","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.1664","0.1488","","","0.4111","0.4329","","","","","","1.796","","","","has coordinates,has disorder","260363","2021-01-02","04:07:30",""
"4038947","7.8092","0.0003","17.4192","0.0007","6.8514","0.0003","90","","95.335","0.002","90","","927.96","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,2,5]thiadiazolo[3',4':5,6]naphtho[1,2-c][1,2,5]thiadiazole","","- C10 H4 N4 S2 -","- C10 H4 N4 S2 -","- C40 H16 N16 S8 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.54178","CuKα","","0.0501","0.0492","","","0.1643","0.1653","","","","","","1.142","","","","has coordinates","260366","2021-01-02","15:12:25",""
"4038948","3.8045","0.0001","9.6098","0.0003","16.4052","0.0004","90","","92.4211","0.0014","90","","599.25","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2,5]thiadiazolo[3',4':5,6]anthra[1,2-c][1,2,5]thiadiazole-6,12-dione","","- C14 H4 N4 O2 S2 -","- C14 H4 N4 O2 S2 -","- C28 H8 N8 O4 S4 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.049","0.0458","","","0.1244","0.128","","","","","","1.127","","","","has coordinates","260367","2021-01-02","15:12:37",""
"4038949","13.1602","0.0007","12.283","0.0006","14.3308","0.0007","90","","111.651","0.002","90","","2153.09","0.19","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","10,10'-spirobi[[1,2,5]thiadiazolo[3',4':6,7] fluoreno[2,3-c][1,2,5]thiadiazole]","","- C25 H8 N8 S4 -","- C25 H8 N8 S4 -","- C100 H32 N32 S16 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0565","0.054","","","0.1294","0.1308","","","","","","1.06","","","","has coordinates","260368","2021-01-02","15:12:52",""
"4038950","16.3407","0.0003","16.3407","0.0003","19.0557","0.0004","90","","90","","90","","5088.22","0.17","100","","100","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2,4,7,9,12,14,17,19,21,23,26,28-dodecaene dimethyl sulfoxide solvate","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C160 H64 N48 S24 -","8","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0377","0.036","","","0.1051","0.1066","","","","","","1.106","","","","has coordinates","260369","2021-01-02","15:13:02",""
"4038951","18.9035","0.0009","18.9035","0.0009","18.9035","0.0009","90","","90","","90","","6755","0.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27] nonacosa-2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C60 fullerene mesitylene solvate","","- C109 H28 N12 S6 -","- C109.014 H28.0016 N12 S6 -","- C436.055 H112.006 N48 S24 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.1284","0.1142","","","0.2762","0.2868","","","","","","1.083","","","","has coordinates,has disorder","260370","2021-01-02","15:13:46",""
"4038952","19.504","0.0003","19.504","0.0003","19.504","0.0003","90","","90","","90","","7419.4","0.2","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C70 fullerene carbon disulfide solvate","","- C113 H16 N12 S12 -","- C112.976 H16 N12 S12 -","- C451.905 H64 N48 S48 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0686","0.0641","","","0.1724","0.1774","","","","","","1.208","","","","has coordinates,has disorder","260371","2021-01-02","15:14:12",""
"4038956","9.8661","0.0002","10.2913","0.0003","10.9629","0.0003","74.475","0.002","67.802","0.002","67.57","0.002","942.68","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H36 N14 O26 Sm2 -","- C16 H36 N14 O26 Sm2 -","- C16 H36 N14 O26 Sm2 -","1","0.5","","Netreba, E.E.; Sarnit, E.A.; Shabanov, S.V.; Velikozhon, A.A.","New binuclear bis(2,4,6,8-tetramethyl-2,4,6,8-tetraazobicyclo(3.3.0)octane-3,7-dione-O,O')-tetraaqua-hexakis(nitrato-O,O')-disamarium(III) complex: Synthesis and crystal structure","Russian Journal of Inorganic Chemistry","2017","62","5","654","658","10.1134/S0036023617050175","","x-ray","0.71073","MoKα","","0.0155","0.0146","","","0.0378","0.0381","","","","","","1.135","","","","has coordinates","282194","2023-04-02","09:49:38",""
"4038958","55.6158","0.0017","15.6656","0.0005","8.4689","0.0004","90","","90","","90","","7378.6","0.5","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C43 H28 Cl3 N4 O2 -","- C43 H28 Cl3 N4 O2 -","- C344 H224 Cl24 N32 O16 -","8","0.5","","Vasin, V.A.; Popkova, Yu.A.; Bezrukova, E.V.; Razin, V.V.; Somov, N.V.","Cycloadducts of Phenylethynyl Trifluoromethyl Sulfone with Diphenyldiazomethane and 9-Diazofluorene and Their Transformations under Conditions of Van AlphenHttel Rearrangement","Russian Journal of Organic Chemistry","2017","53","3","393","397","10.1134/S1070428017030137","","x-ray","0.71073","MoKα","","0.0937","0.072","","","0.1641","0.1759","","","","","","1.08","","","","has coordinates","269574","2021-10-05","10:03:09",""
"4038974","11.686","0.005","12.634","0.005","24.0993","0.001","90","","93.38","0.007","90","","3552","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Br N4 O6 Re -","- C35 H30 Br N4 O6 Re -","- C140 H120 Br4 N16 O24 Re4 -","4","1","","Bonello, R. Owen; Pitak, Mateusz B.; Coles, Simon J.; Hallett, Andrew J.; Fallis, Ian A.; Pope, Simon J.A.","Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands","Journal of Organometallic Chemistry","2017","841","","39","47","10.1016/j.jorganchem.2017.04.021","","","0.71075","MoKα","","0.0825","0.0742","","","0.162","0.166","","","","","","1.318","","","","has coordinates,has disorder","272282","2022-01-27","10:03:39",""
"4038975","11.1587","0.0008","13.0479","0.001","13.1431","0.001","111.784","0.008","110.74","0.008","97.685","0.007","1582.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br N4 O5 Re -","- C34 H28 Br N4 O5 Re -","- C68 H56 Br2 N8 O10 Re2 -","2","1","","Bonello, R. Owen; Pitak, Mateusz B.; Coles, Simon J.; Hallett, Andrew J.; Fallis, Ian A.; Pope, Simon J.A.","Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands","Journal of Organometallic Chemistry","2017","841","","39","47","10.1016/j.jorganchem.2017.04.021","","","0.71075","MoKα","","0.0412","0.0333","","","0.0797","0.0828","","","","","","1.01","","","","has coordinates","272283","2022-01-27","10:03:51",""
"4039029","11.495","0.0003","12.2906","0.0004","18.4734","0.0006","99.284","0.002","102.123","0.002","99.692","0.002","2462.37","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li O6 Si4 Tb -","- C40 H78 Li O6 Si4 Tb -","- C80 H156 Li2 O12 Si8 Tb2 -","2","1","","Volker Lorenz; Phil Liebing; Michael Böhme; Axel Buchholz; Winfried Plass; Niklas Geue; Liane Hilfert; Sabine Busse; Felix Engelhardt; Cristian G. Hrib; Frank T. Edelmann","Lanthanide(III) Sandwich and Half-Sandwich Complexes with Bulky Cyclooctatetraenyl Ligands: Synthesis, Structures, and Magnetic Properties","European Journal of Inorganic Chemistry","2017","2017","41","4840","4849","10.1002/ejic.201700878","","","0.71073","MoKα","","0.0538","0.0412","","","0.0869","0.091","","","","","","1.03","","","","has coordinates","297702","2025-02-12","17:14:42",""
"4086756","7.7823","0.0004","12.9312","0.0007","14.5972","0.0007","107.693","0.002","90.109","0.002","98.8","0.002","1381.19","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Co N4 Si -","- C27 H31 Co N4 Si -","- C54 H62 Co2 N8 Si2 -","2","1","","Léonard, Nadia G.; Bezdek, Máté J.; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)‒H Borylation with an Air-Stable, Readily Prepared Terpyridine Cobalt(II) Bis(acetate) Precatalyst","Organometallics","2017","36","1","142","","10.1021/acs.organomet.6b00630","","","1.54178","CuKα","","0.0352","0.0348","","","0.0861","0.0864","","","","","","1.069","","","","has coordinates","191373","2020-10-21","18:00:00",""
"4086757","30.55","0.0014","30.55","0.0014","8.2057","0.0004","90","","90","","120","","6632.4","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H36 B2 Co O12 -","- C20 H36 B2 Co O12 -","- C180 H324 B18 Co9 O108 -","9","0.5","","Léonard, Nadia G.; Bezdek, Máté J.; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)‒H Borylation with an Air-Stable, Readily Prepared Terpyridine Cobalt(II) Bis(acetate) Precatalyst","Organometallics","2017","36","1","142","","10.1021/acs.organomet.6b00630","","","0.71073","MoKα","","0.0386","0.0369","","","0.1165","0.1178","","","","","","1.112","","","","has coordinates","191373","2020-10-21","18:00:00",""
"4086811","11.475","0.002","16.524","0.003","19.999","0.004","90","","105.14","0.03","90","","3660.4","1.3","140.15","","140.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl3 D F6 O6 P2 Pd -","- C31 H40 Cl3 D F6 O6 P2 Pd -","- C124 H160 Cl12 D4 F24 O24 P8 Pd4 -","4","1","","Nobbs, James D.; Low, Choon Heng; Stubbs, Ludger P.; Wang, Cun; Drent, Eite; van Meurs, Martin","Isomerizing Methoxycarbonylation of Alkenes to Esters Using a Bis(phosphorinone)xylene Palladium Catalyst","Organometallics","2017","36","2","391","","10.1021/acs.organomet.6b00813","","","0.71073","MoKα","","0.0514","0.0485","","","0.1259","0.1311","","","","","","1.068","","","","has coordinates","193615","2020-10-21","18:00:00",""
"4086812","12.164","0.002","20.755","0.004","12.422","0.003","90","","104.83","0.03","90","","3031.6","1.1","140.15","","140.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Cl4 O2 P2 Pd -","- C27 H42 Cl4 O2 P2 Pd -","- C108 H168 Cl16 O8 P8 Pd4 -","4","1","","Nobbs, James D.; Low, Choon Heng; Stubbs, Ludger P.; Wang, Cun; Drent, Eite; van Meurs, Martin","Isomerizing Methoxycarbonylation of Alkenes to Esters Using a Bis(phosphorinone)xylene Palladium Catalyst","Organometallics","2017","36","2","391","","10.1021/acs.organomet.6b00813","","","0.71073","MoKα","","0.0651","0.0569","","","0.1369","0.1469","","","","","","1.163","","","","has coordinates","193615","2020-10-21","18:00:00",""
"4086816","25.996","0.002","21.874","0.002","25.178","0.002","90","","116.311","0.0013","90","","12833.9","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C142 H174.61 Mn2 N4 O9 -","- C142 H174.607 Mn2 N4 O9 -","- C568 H698.428 Mn8 N16 O36 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.0811","0.0614","","","0.1594","0.1739","","","","","","1.024","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086817","15.7361","0.0003","17.6996","0.0003","26.0679","0.0005","90","","102.639","0.001","90","","7084.6","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H100 Mn N3 O6 -","- C78 H100 Mn N3 O6 -","- C312 H400 Mn4 N12 O24 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1061","0.0892","","","0.2284","0.2413","","","","","","1.083","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086818","25.384","0.003","16.256","0.002","49.409","0.006","90","","101.988","0.006","90","","19944","4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H106 B F24 Mn N2 O4 -","- C104 H106 B F24 Mn N2 O4 -","- C832 H848 B8 F192 Mn8 N16 O32 -","8","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1591","0.1376","","","0.3216","0.3348","","","","","","1.19","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086819","20.545","0.0004","16.6493","0.0003","20.6945","0.0004","90","","117.225","0.001","90","","6294.6","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H79 F3 Mn N2 O5.5 -","- C69 H79 F3 Mn N2 O5.5 -","- C276 H316 F12 Mn4 N8 O22 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.0533","0.044","","","0.1127","0.1191","","","","","","1.023","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086820","13.1452","0.0007","15.6184","0.0009","15.2093","0.0007","90","","93.025","0.002","90","","3118.2","0.3","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","(k2-F3CSO3BH3)-Mn(CO)2(CNArDipp2)2","","","- C65 H77 B F3 Mn N2 O5 S -","- C65 H77 B F3 Mn N2 O5 S -","- C130 H154 B2 F6 Mn2 N4 O10 S2 -","2","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.0587","0.0447","","","0.0794","0.0841","","","","","","1.022","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086821","12.8109","0.0016","22.635","0.003","15.62","0.002","90","","106.705","0.007","90","","4338.3","1","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 B F15 N -","- C49 H37 B F15 N -","- C196 H148 B4 F60 N4 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","1.54178","CuKα","","0.0558","0.0422","","","0.0999","0.1084","","","","","","1.047","","","","has coordinates","191363","2020-10-21","18:00:00",""
"4086822","16.862","0.002","16.736","0.002","41.454","0.005","90","","100.02","0.002","90","","11520","2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H77 Mn N2 O4 -","- C66 H77 Mn N2 O4 -","- C528 H616 Mn8 N16 O32 -","8","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.1216","0.0927","","","0.197","0.2109","","","","","","1.119","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086823","12.2792","0.0015","16.609","0.002","19.63","0.003","97.684","0.004","91.435","0.004","96.967","0.004","3934.7","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H99 Mn N2 O7 -","- C80 H99 Mn N2 O7 -","- C160 H198 Mn2 N4 O14 -","2","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1034","0.057","","","0.1253","0.1436","","","","","","1.019","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086824","19.5867","0.0017","15.1995","0.0013","23.5502","0.0017","90","","96.737","0.0012","90","","6962.7","1","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C73 H92.47 F3 Mn N2 O7 S -","- C73 H92.468 F3 Mn N2 O7 S -","- C292 H369.872 F12 Mn4 N8 O28 S4 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.038","0.0353","","","0.0877","0.0897","","","","","","1.025","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086825","14.7941","0.0008","24.7433","0.0013","26.507","0.0014","97.846","0.001","98.642","0.001","90.602","0.001","9498.3","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 B F15 Mn N2 O4.5 -","- C89 H88 B F15 Mn N2 O4.5 -","- C356 H352 B4 F60 Mn4 N8 O18 -","4","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.0661","0.0452","","","0.112","0.1224","","","","","","1.027","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086826","19.142","0.005","27.61","0.008","27.492","0.008","90","","104.977","0.004","90","","14036","7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 K Mn N2 O3 -","- C68 H84 K Mn N2 O3 -","- C544 H672 K8 Mn8 N16 O24 -","8","2","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.1258","0.0862","","","0.1982","0.2178","","","","","","1.065","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4086827","46.2914","0.001","16.5737","0.0004","16.9876","0.0004","90","","104.91","0.001","90","","12594.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(k2-benzoate)CO2(CNArDipp2)2","","","- C74 H82 Mn N2 O4 -","- C74 H82 Mn N2 O4 -","- C592 H656 Mn8 N16 O32 -","8","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","","0.71073","MoKα","","0.0703","0.0439","","","0.091","0.1002","","","","","","1.015","","","","has coordinates","191363","2020-10-21","18:00:00",""
"4086838","15.7139","0.0006","10.2274","0.0004","17.83","0.0006","90","","114.011","0.001","90","","2617.54","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","YNp3(thf)2","","","- C23 H49 O2 Y -","- C23 H49 O2 Y -","- C92 H196 O8 Y4 -","4","1","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","Evidence for the Existence of Group 3 Terminal Methylidene Complexes","Organometallics","2017","36","1","80","","10.1021/acs.organomet.6b00394","","","0.71073","MoKα","","0.0734","0.0611","","","0.1216","0.1247","","","","","","1.32","","","","has coordinates","191374","2020-10-21","18:00:00",""
"4086839","11.2268","0.0004","18.2514","0.0007","18.4495","0.0007","95.262","0.002","107.167","0.002","96.588","0.002","3556.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(PNP-tBu)YNp2","","","- C32 H64 N P2 Y -","- C32 H64 N P2 Y -","- C128 H256 N4 P8 Y4 -","4","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","Evidence for the Existence of Group 3 Terminal Methylidene Complexes","Organometallics","2017","36","1","80","","10.1021/acs.organomet.6b00394","","","0.71073","MoKα","","0.0744","0.0429","","","0.0719","0.0804","","","","","","1.026","","","","has coordinates","191374","2020-10-21","18:00:00",""
"4086845","13.3411","0.0002","17.9771","0.0003","19.2094","0.0003","90","","90","","90","","4607.07","0.13","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H18 B F3 N6 Ni O2 -","- C23 H18 B F3 N6 Ni O2 -","- C184 H144 B8 F24 N48 Ni8 O16 -","8","1","","Meucci, Elizabeth A.; Camasso, Nicole M.; Sanford, Melanie S.","An Organometalllic NiIV Complex That Participates in Competing Transmetalation and C(sp2)‒O Bond-Forming Reductive Elimination Reactions","Organometallics","2017","36","2","247","","10.1021/acs.organomet.6b00810","","","1.54184","CuKα","","0.0948","0.0885","","","0.2591","0.2707","","","","","","1.104","","","","has coordinates,has disorder","191365","2020-10-21","18:00:00",""
"4086846","10.3964","0.0002","10.9403","0.0002","12.4107","0.0003","97.449","0.001","92.634","0.001","97.785","0.001","1383.88","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F10 N2 Pd -","- C30 H24 F10 N2 Pd -","- C60 H48 F20 N4 Pd2 -","2","1","","Lotz, Monica D.; Camasso, Nicole M.; Canty, Allan J.; Sanford, Melanie S.","Role of Silver Salts in Palladium-Catalyzed Arene and Heteroarene C‒H Functionalization Reactions","Organometallics","2017","36","1","165","","10.1021/acs.organomet.6b00437","","","0.71073","MoKα","","0.029","0.0262","","","0.0668","0.0689","","","","","","1.057","","","","has coordinates","191375","2020-10-21","18:00:00",""
"4086847","25.163","0.004","7.4436","0.0012","15.304","0.003","90","","106.544","0.002","90","","2747.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dichloropyridinyl(quinolin-8-yl)gallium(III); 2","","","- C14 H11 Cl2 Ga N2 -","- C14 H11 Cl2 Ga N2 -","- C112 H88 Cl16 Ga8 N16 -","8","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0709","0.0636","","","0.1874","0.1923","","","","","","1.132","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086848","9.146","0.002","10.708","0.003","16.445","0.004","104.094","0.002","98.179","0.002","110.072","0.002","1421.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis-µ-(quinolin-8-yl)-µ-chloro-dichlorodigallium(III) tetra-chlorogallate chloroform solvate ; 4","","","- C19 H13 Cl10 Ga3 N2 -","- C19 H13 Cl10 Ga3 N2 -","- C38 H26 Cl20 Ga6 N4 -","2","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.059","0.0552","","","0.146","0.149","","","","","","1.044","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086849","6.9531","0.0012","9.447","0.0016","9.6421","0.0016","71.449","0.002","73.839","0.002","69.285","0.001","551.72","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trichloro(quinolinium-8-yl)gallate(III) zwitterion; 5","","","- C9 H7 Cl3 Ga N -","- C9 H7 Cl3 Ga N -","- C18 H14 Cl6 Ga2 N2 -","2","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0379","0.0252","","","0.0478","0.0537","","","","","","1.074","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086850","7.955","0.008","16.333","0.015","11.686","0.011","90","","92.669","0.015","90","","1517","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dichloro(2-methylpiridinyl)(quinolin-8-yl)gallium(III); 3","","","- C15 H13 Cl2 Ga N2 -","- C15 H13 Cl2 Ga N2 -","- C60 H52 Cl8 Ga4 N8 -","4","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0343","0.0304","","","0.0629","0.064","","","","","","1.252","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086851","14.744","0.011","13.879","0.011","12.485","0.01","90","","98.629","0.011","90","","2526","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8-quinolinium tetrachlorogallate(III); 7","","","- C9 H8 Cl4 Ga N -","- C9 H8 Cl4 Ga N -","- C72 H64 Cl32 Ga8 N8 -","8","2","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.032","0.0241","","","0.0545","0.0604","","","","","","1.088","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086852","7.5788","0.0009","9.4807","0.0012","15.0912","0.0019","75.331","0.001","79.329","0.001","69.002","0.001","974","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[(py)2H+][trichloro(quinolin-8-yl)gallate(III)]; 6","","","- C19 H17 Cl3 Ga N3 -","- C19 H17 Cl3 Ga N3 -","- C38 H34 Cl6 Ga2 N6 -","2","1","","Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.","Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs","Organometallics","2017","36","2","474","","10.1021/acs.organomet.6b00867","","","0.71073","MoKα","","0.0279","0.0232","","","0.0587","0.0608","","","","","","1.047","","","","has coordinates","191367","2020-10-21","18:00:00",""
"4086864","13.7378","0.0005","10.5966","0.0003","20.1933","0.0006","90","","93.803","0.003","90","","2933.15","0.16","180","2","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 B N6 Nb O -","- C29 H39 B N6 Nb O -","- C116 H156 B4 N24 Nb4 O4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0973","0.0484","","","0.1014","0.1096","","","","","","1.003","","","","has coordinates","191376","2020-10-21","18:00:00",""
"4086865","12.0657","0.0002","16.5205","0.0002","14.9268","0.0002","90","","109.051","0.002","90","","2812.41","0.08","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B N6 Nb -","- C27 H40 B N6 Nb -","- C108 H160 B4 N24 Nb4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","x-ray","0.71073","MoKα","","0.0326","0.0266","","","0.0699","0.0721","","","","","","1.046","","","","has coordinates,has disorder","191376","2020-10-21","18:00:00",""
"4086866","11.0651","0.0005","14.9952","0.0007","17.7145","0.0009","90","","93.684","0.002","90","","2933.2","0.2","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B N6 Nb -","- C30 H38 B N6 Nb -","- C120 H152 B4 N24 Nb4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0701","0.0457","","","0.1065","0.1186","","","","","","1.071","","","","has coordinates","191376","2020-10-21","18:00:00",""
"4086867","11.4037","0.001","15.838","0.0013","19.2775","0.0016","90","","105.849","0.004","90","","3349.4","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 B Fe N6 Nb -","- C32 H42 B Fe N6 Nb -","- C128 H168 B4 Fe4 N24 Nb4 -","4","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0809","0.0494","","","0.1131","0.124","","","","","","1.002","","","","has coordinates","191376","2020-10-21","18:00:00",""
"4086868","8.278","0.0006","13.7905","0.0009","15.8037","0.0011","76.156","0.003","81.396","0.002","85.43","0.003","1730.2","0.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H33 B F5 N6 Nb -","- C28 H33 B F5 N6 Nb -","- C56 H66 B2 F10 N12 Nb2 -","2","1","","Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel","CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction","Organometallics","2017","36","1","53","","10.1021/acs.organomet.6b00506","","","0.71073","MoKα","","0.0839","0.0531","","","0.1199","0.1289","","","","","","1.012","","","","has coordinates,has disorder","191376","2020-10-21","18:00:00",""
"4086879","43.406","0.002","13.9274","0.0006","20.4289","0.0008","90","","109.573","0.0013","90","","11636.3","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 O1.5 P3 Ru -","- C65 H68 O1.5 P3 Ru -","- C520 H544 O12 P24 Ru8 -","8","1","","Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds","Organometallics","2017","36","1","159","","10.1021/acs.organomet.6b00540","","","0.71075","MoKα","","0.0856","0.0553","","","0.1153","0.1393","","","","","","1.076","","","","has coordinates,has disorder","191377","2020-10-21","18:00:00",""
"4086880","12.5915","0.0016","14.542","0.002","16.172","0.002","86.893","0.004","73.638","0.004","84.811","0.003","2828.3","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H65 O10 P3 Ru -","- C64 H65 O10 P3 Ru -","- C128 H130 O20 P6 Ru2 -","2","1","","Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds","Organometallics","2017","36","1","159","","10.1021/acs.organomet.6b00540","","","0.71075","MoKα","","0.1161","0.068","","","0.1365","0.1703","","","","","","1.004","","","","has coordinates","191377","2020-10-21","18:00:00",""
"4086881","18.3564","0.0015","10.4578","0.0008","25.427","0.002","90","","110.869","0.0017","90","","4560.9","0.6","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 F9 O P3 Ru -","- C55 H38 F9 O P3 Ru -","- C220 H152 F36 O4 P12 Ru4 -","4","1","","Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds","Organometallics","2017","36","1","159","","10.1021/acs.organomet.6b00540","","","0.71075","MoKα","","0.1116","0.0604","","","0.1062","0.1232","","","","","","1.005","","","","has coordinates","191377","2020-10-21","18:00:00",""
"4086882","11.9431","0.0003","7.5386","0.0002","13.3145","0.0004","90","","95.759","0.003","90","","1192.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl2 N Pt -","- C10 H13 Cl2 N Pt -","- C40 H52 Cl8 N4 Pt4 -","4","1","","Quirós, M. Teresa; Muñoz, María Paz; Christensen, Jeppe; Coles, Simon J.","Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the Study of the Dynamic Behavior in Solution","Organometallics","2017","36","2","318","","10.1021/acs.organomet.6b00778","","x-ray","0.71073","MoKα","K-L~3~","0.0375","0.0361","","","0.0953","0.0962","","","","","","1.09","","","","has coordinates","191369","2020-10-21","18:00:00",""
"4086883","7.7902","0.0002","7.8501","0.0002","11.5978","0.0003","101.272","0.002","104.328","0.002","91.438","0.002","671.92","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl2 N Pt -","- C12 H17 Cl2 N Pt -","- C24 H34 Cl4 N2 Pt2 -","2","1","","Quirós, M. Teresa; Muñoz, María Paz; Christensen, Jeppe; Coles, Simon J.","Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the Study of the Dynamic Behavior in Solution","Organometallics","2017","36","2","318","","10.1021/acs.organomet.6b00778","","x-ray","0.71073","MoKα","K-L~3~","0.0192","0.0189","","","0.0491","0.0493","","","","","","1.064","","","","has coordinates","191369","2020-10-21","18:00:00",""
"4086885","8.9593","0.0009","10.9676","0.0011","13.2131","0.0013","88.334","0.002","75.903","0.002","84.385","0.002","1253.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H32 Cl2 N2 Pd -","- C26.5 H32 Cl2 N2 Pd -","- C53 H64 Cl4 N4 Pd2 -","2","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0328","0.0316","","","0.073","0.0736","","","","","","1.118","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086886","13.9021","0.0007","21.0322","0.001","25.4325","0.0013","68.0191","0.0015","74.2299","0.0017","87.0352","0.0017","6625.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H78 Cl4 N4 O Pd4 -","- C57 H78 Cl4 N4 O Pd4 -","- C228 H312 Cl16 N16 O4 Pd16 -","4","2","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.1037","0.0564","","","0.1158","0.1318","","","","","","1.018","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086887","19.9213","0.0011","12.9178","0.0006","22.6699","0.0012","90","","96.9047","0.0017","90","","5791.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H78 Cl2 N6 O Pd2 -","- C65 H78 Cl2 N6 O Pd2 -","- C260 H312 Cl8 N24 O4 Pd8 -","4","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0395","0.0304","","","0.0701","0.0739","","","","","","1.051","","","","has coordinates","191370","2020-10-21","18:00:00",""
"4086888","9.5722","0.0008","14.7572","0.0012","15.5993","0.0013","70.643","0.002","81.038","0.002","82.093","0.002","2044.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H61 Cl5 N4 O3 -","- C38 H61 Cl5 N4 O3 -","- C76 H122 Cl10 N8 O6 -","2","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.1467","0.0793","","","0.168","0.1928","","","","","","1.036","","","","has coordinates","191370","2020-10-21","18:00:00",""
"4086889","25.4325","0.0019","25.4325","0.0019","22.69","0.002","90","","90","","120","","12709.9","1.7","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C37 H53 Cl N4 Pd -","- C37 H53 Cl N4 Pd -","- C444 H636 Cl12 N48 Pd12 -","12","1","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0909","0.0529","","","0.1225","0.1543","","","","","","1.079","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086890","12.8442","0.0014","18.297","0.002","23.998","0.003","90","","93.051","0.002","90","","5631.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 Cl3 N2 O2 -","- C30 H35 Cl3 N2 O2 -","- C240 H280 Cl24 N16 O16 -","8","2","","García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José","Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates","Organometallics","2017","36","2","372","","10.1021/acs.organomet.6b00795","","","0.71073","MoKα","","0.0866","0.0705","","","0.1517","0.1598","","","","","","1.146","","","","has coordinates,has disorder","191370","2020-10-21","18:00:00",""
"4086891","8.4313","0.0006","12.8023","0.0008","15.1161","0.0009","113.8","0.006","90.996","0.005","101.075","0.006","1456.87","0.18","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 F3 N2 O Si -","- C31 H37 F3 N2 O Si -","- C62 H74 F6 N4 O2 Si2 -","2","1","","Luo, Fei-Xian; Cao, Zhi-Chao; Zhao, Hong-Wei; Wang, Ding; Zhang, Yun-Fei; Xu, Xing; Shi, Zhang-Jie","Nickel-Catalyzed Oxidative Coupling of Unactivated C(sp3)‒H Bonds in Aliphatic Amides with Terminal Alkynes","Organometallics","2017","36","1","18","","10.1021/acs.organomet.6b00529","","","0.71073","MoKα","","0.097","0.0569","","","0.1107","0.1341","","","","","","1.038","","","","has coordinates,has disorder","191378","2020-10-21","18:00:00",""
"4086899","13.0991","0.0013","14.6391","0.0003","15.606","0.005","116.309","0.012","101.83","0.05","104.59","0.04","2417","1.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","PhTh-HG2","","","- C56 H55 Cl2 N2 O Ru S2 -","- C56 H55 Cl2 N2 O Ru S2 -","- C112 H110 Cl4 N4 O2 Ru2 S4 -","2","1","","Teator, Aaron J.; Shao, Huiling; Lu, Gang; Liu, Peng; Bielawski, Christopher W.","A Photoswitchable Olefin Metathesis Catalyst","Organometallics","2017","36","2","490","","10.1021/acs.organomet.6b00913","","","1.54187","CuKα","","0.0856","0.0503","","","0.1033","0.119","","","","","","1.006","","","","has coordinates","191366","2020-10-21","18:00:00",""
"4086900","9.1804","0.0004","9.3731","0.0003","15.6427","0.0008","99.009","0.002","97.803","0.002","108.922","0.002","1232.27","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H38 Be N2 -","- C27 H38 Be N2 -","- C54 H76 Be2 N4 -","2","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0483","0.0425","","","0.1206","0.127","","","","","","1.016","","","","has coordinates","189915","2020-10-21","18:00:00",""
"4086901","20.0458","0.0016","9.0862","0.0007","17.6799","0.0014","90","","116.523","0.003","90","","2881.3","0.4","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H46 Be N4 S2 Si4 -","- C16 H46 Be N4 S2 Si4 -","- C64 H184 Be4 N16 S8 Si16 -","4","0.5","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0291","0.0239","","","0.0648","0.0696","","","","","","1.123","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086902","23.05","0.0014","16.8166","0.0011","13.8919","0.0009","90","","90","","90","","5384.8","0.6","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C59 H90 Be N4 -","- C59 H90 Be N4 -","- C236 H360 Be4 N16 -","4","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0932","0.0598","","","0.1426","0.1634","","","","","","1.019","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4086903","14.2771","0.0004","19.1875","0.0005","20.5221","0.0006","90","","90","","90","","5621.9","0.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H96 Be2 N4 O2 -","- C62 H96 Be2 N4 O2 -","- C248 H384 Be8 N16 O8 -","4","0.5","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0996","0.0571","","","0.1321","0.1607","","","","","","1.027","","","","has coordinates","189915","2020-10-21","18:00:00",""
"4086904","9.1586","0.0006","21.4825","0.0012","24.7691","0.0015","66.739","0.003","82.812","0.004","77.701","0.003","4369.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 Be N2 -","- C31 H48 Be N2 -","- C186 H288 Be6 N12 -","6","3","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.1287","0.078","","","0.2104","0.2392","","","","","","1.43","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4086905","17.5157","0.0009","10.2844","0.0005","15.8238","0.0008","90","","108.9","0.001","90","","2696.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H176 Fe4 N8 O8 P8 -","- C96 H176 Fe4 N8 O8 P8 -","- C96 H176 Fe4 N8 O8 P8 -","1","0.25","","Jayarathne, Upul; Zhang, Yuanyuan; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed Deaminative Hydrogenation of Amides","Organometallics","2017","36","2","409","","10.1021/acs.organomet.6b00816","","","0.71073","MoKα","","0.0253","0.0225","","","0.0558","0.057","","","","","","1.054","","","","has coordinates","191364","2020-10-21","18:00:00",""
"4086906","14.695","0.001","20.92","0.003","14.748","0.001","90","","113.27","0.02","90","","4165","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","no","","- C46 H58 N4 Pt2 -","- C46 H58 N4 Pt2 -","- C184 H232 N16 Pt8 -","4","1","","Esposito, Roberto; Calvanese, Luisa; Cucciolito, Maria Elena; D’Auria, Gabriella; Falcigno, Lucia; Fiorini, Valentina; Pezzella, Prisco; Roviello, Giuseppina; Stagni, Stefano; Talarico, Giovanni; Ruffo, Francesco","Oxidative Coupling of Imino, Amide Platinum(II) Complexes Yields Highly Conjugated Blue Dimers","Organometallics","2017","36","2","384","","10.1021/acs.organomet.6b00798","","","0.71073","MoKα","","0.0733","0.035","","","0.0526","0.0599","","","","","","0.978","","","","has coordinates","191368","2020-10-21","18:00:00",""
"4086907","26.862","0.003","22.2816","0.0019","27.235","0.003","90","","116.826","0.002","90","","14547","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H90 Cu3 N6 P3 -","- C69 H90 Cu3 N6 P3 -","- C552 H720 Cu24 N48 P24 -","8","2","","Yuan, Jia; Zhu, Lizhao; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","Sequential Addition of Phosphine to Alkynes for the Selective Synthesis of 1,2-Diphosphinoethanes under Catalysis. Well-Defined NHC-Copper Phosphides vs in Situ CuCl2/NHC Catalyst","Organometallics","2017","36","2","455","","10.1021/acs.organomet.6b00854","","","0.71073","MoKα","","0.0716","0.0597","","","0.164","0.1817","","","","","","0.681","","","","has coordinates,has disorder","191372","2020-10-21","18:00:00",""
"4086908","9.8792","0.0002","16.8405","0.0004","14.5041","0.0003","90","","103.473","0.003","90","","2346.65","0.09","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 P Zr -","- C29 H27 P Zr -","- C116 H108 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0593","0.0442","","","0.0846","0.0922","","","","","","1.064","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086909","8.2924","0.0002","18.2221","0.0004","33.1878","0.0008","90","","92.805","0.001","90","","5008.8","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 B F20 O P Zr -","- C56 H32 B F20 O P Zr -","- C224 H128 B4 F80 O4 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0924","0.0581","","","0.1066","0.1227","","","","","","1.065","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086910","11.6551","0.0003","13.5587","0.0003","18.1762","0.0005","68.265","0.001","80.039","0.001","75.408","0.001","2571.92","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H32 B Cl2 F20 O P Zr -","- C56 H32 B Cl2 F20 O P Zr -","- C112 H64 B2 Cl4 F40 O2 P2 Zr2 -","2","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","1.54178","CuKα","","0.0532","0.0395","","","0.0875","0.0929","","","","","","1.046","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086911","35.9058","0.0012","15.4285","0.0005","25.4582","0.0008","90","","132.665","0.001","90","","10370.4","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H32 B F20 O P Zr -","- C62 H32 B F20 O P Zr -","- C496 H256 B8 F160 O8 P8 Zr8 -","8","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0321","0.0264","","","0.0629","0.0661","","","","","","1.042","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086912","13.1659","0.0002","15.0274","0.0003","15.4047","0.0003","79.974","0.001","67.015","0.001","70.741","0.002","2645.21","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H32 B F20 O P Zr -","- C61 H32 B F20 O P Zr -","- C122 H64 B2 F40 O2 P2 Zr2 -","2","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0976","0.0713","","","0.1311","0.1499","","","","","","1.108","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086913","13.1323","0.0003","18.3346","0.0004","27.1714","0.0006","85.029","0.001","81.176","0.001","76.639","0.001","6280.9","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H35 B Cl F20 O P Zr -","- C67 H35 B Cl F20 O P Zr -","- C268 H140 B4 Cl4 F80 O4 P4 Zr4 -","4","2","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.1029","0.0666","","","0.1414","0.1576","","","","","","1.051","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086914","19.7855","0.001","16.5114","0.0007","16.8379","0.0009","90","","114.612","0.002","90","","5001","0.4","105","2","105","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H27.5 B Br0.5 Cl F20 P Zr -","- C55 H27.5 B Br0.5 Cl F20 P Zr -","- C220 H110 B4 Br2 Cl4 F80 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0637","0.0451","","","0.089","0.0963","","","","","","1.124","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086915","31.642","0.002","10.2351","0.0007","33.722","0.002","90","","109.339","0.002","90","","10305","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H29 B F20 N O P Zr -","- C59 H29 B F20 N O P Zr -","- C472 H232 B8 F160 N8 O8 P8 Zr8 -","8","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0492","0.0375","","","0.0746","0.0785","","","","","","1.119","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086916","31.8669","0.0005","10.3393","0.0002","33.7492","0.0005","90","","107.608","0.001","90","","10598.8","0.3","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H29 B F20 N P S Zr -","- C59 H29 B F20 N P S Zr -","- C472 H232 B8 F160 N8 P8 S8 Zr8 -","8","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.085","0.0592","","","0.1089","0.1231","","","","","","1.062","","","","has coordinates","191371","2020-10-21","18:00:00",""
"4086917","11.3724","0.0011","16.2046","0.0014","19.6938","0.0019","76.795","0.002","76.52","0.003","86.72","0.003","3435.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H46 B F20 N2 P Zr -","- C65 H46 B F20 N2 P Zr -","- C130 H92 B2 F40 N4 P2 Zr2 -","2","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0989","0.0757","","","0.1994","0.2122","","","","","","1.056","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086918","17.8392","0.0003","15.5912","0.0002","22.7766","0.0004","90","","108.677","0.001","90","","6001.35","0.17","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H30 B F20 O P Zr -","- C61 H30 B F20 O P Zr -","- C244 H120 B4 F80 O4 P4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair vs Metal‒Carbon σ-Bond Insertion Chemistry at an o-Phenylene-Bridged Cp2Zr+/PPh2 System","Organometallics","2017","36","2","424","","10.1021/acs.organomet.6b00828","","","0.71073","MoKα","","0.0908","0.0629","","","0.1274","0.138","","","","","","1.05","","","","has coordinates,has disorder","191371","2020-10-21","18:00:00",""
"4086919","16.1107","0.0011","15.4368","0.0011","13.7704","0.0012","90","","96.637","0.004","90","","3401.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 N5 Ni O2 -","- C36 H47 N5 Ni O2 -","- C144 H188 N20 Ni4 O8 -","4","1","","Lee, Ting-Yu; Lin, Yi-Jen; Chang, Yuan-Zhen; Huang, Li-Shin; Ko, Bao-Tsan; Huang, Jui-Hsien","Nickel-Catalyzed Coupling of Carbon Dioxide with Cyclohexene Oxide by Well-Characterized Bis(N-Heterocyclic Carbene) Carbazolide Complexes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00756","","","0.71073","MoKα","","0.1421","0.0647","","","0.1775","0.2089","","","","","","1.021","","","","has coordinates","190450","2020-10-21","18:00:00",""
"4086920","12.0427","0.0009","15.2385","0.0011","19.0981","0.0013","83.749","0.002","86.121","0.003","82.469","0.002","3448.8","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H82 Br0 Cl2 I N10 Ni2 O7 -","- C65 H82 Cl2 I N10 Ni2 O7 -","- C130 H164 Cl4 I2 N20 Ni4 O14 -","2","1","","Lee, Ting-Yu; Lin, Yi-Jen; Chang, Yuan-Zhen; Huang, Li-Shin; Ko, Bao-Tsan; Huang, Jui-Hsien","Nickel-Catalyzed Coupling of Carbon Dioxide with Cyclohexene Oxide by Well-Characterized Bis(N-Heterocyclic Carbene) Carbazolide Complexes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00756","","","0.71073","MoKα","","0.0962","0.0765","","","0.205","0.2252","","","","","","1.025","","","","has coordinates,has disorder","190450","2020-10-21","18:00:00",""
"4086921","15.59","0.002","10.2595","0.0014","7.3952","0.001","90","","99.78","0.006","90","","1165.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethylsila[1]ferrocenophane","","- C12 H14 Fe Si -","- C12 H14 Fe Si -","- C48 H56 Fe4 Si4 -","4","1","","Khozeimeh Sarbisheh, Elaheh; Bhattacharjee, Hridaynath; Cao, My Phan Thuy; Zhu, Jianfeng; Müller, Jens","How Strained are [1]Ferrocenophanes?","Organometallics","2017","36","3","614","","10.1021/acs.organomet.6b00808","","","0.71073","MoKα","","0.0686","0.0459","","","0.1139","0.1281","","","","","","1.039","","","","has coordinates","193623","2020-10-21","18:00:00",""
"4086922","6.573","0.003","20.212","0.008","15.576","0.006","90","","99.436","0.006","90","","2041.3","1.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","sjfbk31","","","- C17 H14 Cl4 N2 O4 Si -","- C17 H14 Cl4 N2 O4 Si -","- C68 H56 Cl16 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0583","0.046","","","0.0846","0.0891","","","","","","1.071","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086923","6.4942","0.0011","20.662","0.003","15.587","0.003","90","","97.834","0.004","90","","2072","0.6","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","sjfbk29","","","- C18 H16 Cl4 N2 O4 Si -","- C18 H16 Cl4 N2 O4 Si -","- C72 H64 Cl16 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.1005","0.0561","","","0.1123","0.1287","","","","","","1.013","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086924","17.7","0.0008","7.4015","0.0003","13.3768","0.0006","90","","108.848","0.0009","90","","1658.48","0.13","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sjfbk33","","","- C17 H15 Cl N2 O4 Si -","- C17 H15 Cl N2 O4 Si -","- C68 H60 Cl4 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0659","0.0421","","","0.0953","0.1062","","","","","","1.032","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086925","11.6172","0.0007","12.1492","0.0007","12.8307","0.0007","90","","116.729","0.001","90","","1617.42","0.16","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","sjfbk34","","","- C12 H13 Cl3 N2 O4 Si -","- C12 H13 Cl3 N2 O4 Si -","- C48 H52 Cl12 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0783","0.0461","","","0.0996","0.1135","","","","","","1.02","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086926","25.893","0.009","12.562","0.005","13.006","0.005","90","","91.035","0.006","90","","4230","3","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","sjfbk28","","","- C13 H11 Cl7 D2 N2 O4 Si -","- C13 H11 Cl7 D2 N2 O4 Si -","- C104 H88 Cl56 D16 N16 O32 Si8 -","8","2","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.1033","0.08","","","0.1746","0.1857","","","","","","1.131","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086927","21.883","0.0015","12.662","0.0008","12.8534","0.0009","90","","115.935","0.0012","90","","3202.8","0.4","100","0.5","100","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","sjfbk30","","","- C14 H17 Cl N2 O4 Si -","- C14 H17 Cl N2 O4 Si -","- C112 H136 Cl8 N16 O32 Si8 -","8","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0892","0.0493","","","0.1055","0.1212","","","","","","1.019","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086928","12.3387","0.0011","12.6566","0.0011","22.518","0.002","90","","90","","90","","3516.5","0.5","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","sjfbk56","","","- C16 H21 Cl N2 O4 Si -","- C16 H21 Cl N2 O4 Si -","- C128 H168 Cl8 N16 O32 Si8 -","8","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0839","0.0522","","","0.1257","0.1426","","","","","","1.031","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086929","26.663","0.004","9.2503","0.0015","10.0619","0.0017","90","","90","","90","","2481.7","0.7","100","0.5","100","0.5","","","","","","","","7","P n n m","-P 2 2n","58","sjfbk53","","","- C22 H23 F3 N2 O8 S Si -","- C21.9998 H23 F2.9994 N2 O7.9994 S0.9998 Si -","- C87.9992 H92 F11.9976 N8 O31.9976 S3.9992 Si4 -","4","0.5","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.068","0.0469","","","0.1252","0.1395","","","","","","1.072","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086930","6.8726","0.0015","12.061","0.003","19.864","0.004","90","","99.91","0.004","90","","1622","0.6","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sjfbk58","","","- C17 H15 F N2 O4 Si -","- C17 H15 F N2 O4 Si -","- C68 H60 F4 N8 O16 Si4 -","4","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0775","0.0542","","","0.1355","0.1482","","","","","","1.064","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086931","24.91","0.009","25.153","0.009","7.516","0.003","90","","90","","90","","4709","3","100","0.5","100","0.5","","","","","","","","6","F d d 2","F 2 -2d","43","sjfbk54","","","- C11 H11 F N2 O4 Si -","- C11 H11 F N2 O4 Si -","- C176 H176 F16 N32 O64 Si16 -","16","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0667","0.045","","","0.1006","0.1104","","","","","","1.042","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086932","10.222","0.002","13.282","0.003","14.59","0.003","100.56","0.03","97.75","0.03","93.54","0.03","1921.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H55 N3 O U -","- C45 H55 N3 O U -","- C90 H110 N6 O2 U2 -","2","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0622","0.0593","","","0.1632","0.1664","","","","","","1.198","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086933","24.786","0.0004","16.8294","0.0003","16.5887","0.0003","90","","94.927","0.001","90","","6894.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H106 Cl4 N6 O4 U2 -","- C65 H106 Cl4 N6 O4 U2 -","- C260 H424 Cl16 N24 O16 U8 -","4","0.5","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0451","0.0279","","","0.055","0.0588","","","","","","1.019","","","","has coordinates,has disorder","193621","2020-10-21","18:00:00",""
"4086934","10.1409","0.0007","20.7383","0.0014","14.9554","0.0012","90","","102.04","0.005","90","","3076","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Cl N3 U -","- C32 H46 Cl N3 U -","- C128 H184 Cl4 N12 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0833","0.0624","","","0.158","0.1723","","","","","","1.143","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086935","9.3331","0.0002","16.9164","0.0003","22.2563","0.0003","90","","90","","90","","3513.88","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N3 S U -","- C38 H51 N3 S U -","- C152 H204 N12 S4 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0258","0.0258","","","0.0639","0.064","","","","","","1.043","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086936","15.895","0.003","25.898","0.005","19.461","0.004","90","","90.05","0.03","90","","8011","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 N3 O U -","- C43 H63 N3 O U -","- C344 H504 N24 O8 U8 -","8","2","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0889","0.0702","","","0.1813","0.2014","","","","","","1.175","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086937","10.241","0.006","11.957","0.007","13.912","0.008","82.53","0.02","81.92","0.02","87.58","0.03","1671.8","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H55 N3 O U -","- C36 H55 N3 O U -","- C72 H110 N6 O2 U2 -","2","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0652","0.047","","","0.1045","0.1161","","","","","","1.08","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4086938","19.3202","0.0003","8.0126","0.0001","19.7901","0.0003","90","","108.013","0.0005","90","","2913.44","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Cl Fe Ni P2 -","- C29 H43 Cl Fe Ni P2 -","- C116 H172 Cl4 Fe4 Ni4 P8 -","4","1","","Clark, Jillian S. K.; Voth, Christopher N.; Ferguson, Michael J.; Stradiotto, Mark","Evaluating 1,1′-Bis(phosphino)ferrocene Ancillary Ligand Variants in the Nickel-Catalyzed C‒N Cross-Coupling of (Hetero)aryl Chlorides","Organometallics","2017","36","3","679","","10.1021/acs.organomet.6b00885","","","1.54178","CuKα","","0.0226","0.0218","","","0.0582","0.0586","","","","","","1.061","","","","has coordinates","193618","2020-10-21","18:00:00",""
"4086939","9.8517","0.0002","10.3571","0.0002","29.9335","0.0007","90","","98.04","0.002","90","","3024.24","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Br3 O Os P -","- C33 H28 Br3 O Os P -","- C132 H112 Br12 O4 Os4 P4 -","4","1","","Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide","Organometallics","2017","36","3","657","","10.1021/acs.organomet.6b00860","","x-ray","1.54184","CuKα","","0.0266","0.0226","","","0.0489","0.0506","","","","","","1.002","","","","has coordinates","193627","2020-10-21","18:00:00",""
"4086940","12.91509","0.00014","17.98521","0.00019","20.77311","0.00019","90","","91.5799","0.0008","90","","4823.36","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56.25 H51.25 Cl4 O0.75 Os P2 -","- C56.25 H40 Cl4 O0.75 Os P2 -","- C225 H160 Cl16 O3 Os4 P8 -","4","1","","Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide","Organometallics","2017","36","3","657","","10.1021/acs.organomet.6b00860","","x-ray","0.71073","MoKα","","0.0208","0.0181","","","0.0403","0.0412","","","","","","1","","","","has coordinates,has disorder","193627","2020-10-21","18:00:00",""
"4086941","10.3625","0.0001","18.2899","0.0002","22.6189","0.0003","90","","94.752","0.001","90","","4272.2","0.08","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 Cl3 O2 Os P2 -","- C48 H35 Cl3 O2 Os P2 -","- C192 H140 Cl12 O8 Os4 P8 -","4","1","","Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide","Organometallics","2017","36","3","657","","10.1021/acs.organomet.6b00860","","x-ray","1.54178","CuKα","","0.0405","0.0371","","","0.0966","0.0989","","","","","","1.003","","","","has coordinates,has disorder","193627","2020-10-21","18:00:00",""
"4086942","18.883","0.019","14.196","0.013","20","0.02","90","","116.714","0.014","90","","4789","8","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N3 V -","- C26 H36 N3 V -","- C208 H288 N24 V8 -","8","2","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0575","","","","0.138","","","","","","1.114","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086943","9.0936","0.0007","11.9514","0.0006","14.1528","0.0012","82.667","0.01","86.963","0.012","75.467","0.01","1476.4","0.2","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 F9 N3 O V -","- C29 H33 F9 N3 O V -","- C58 H66 F18 N6 O2 V2 -","2","1","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0474","","","","0.1364","","","","","","1.089","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086944","9.709","0.006","9.814","0.006","16.63","0.01","73.62","0.017","73.712","0.019","78.33","0.03","1446.1","1.5","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 F6 N3 O V -","- C29 H36 F6 N3 O V -","- C58 H72 F12 N6 O2 V2 -","2","1","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0487","","","","0.1425","","","","","","1.162","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086945","10.439","0.007","15.275","0.01","17.444","0.011","90","","97.308","0.007","90","","2759","3","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 N3 O V -","- C29 H42 N3 O V -","- C116 H168 N12 O4 V4 -","4","1","","Nomura, Kotohiro; Mitsudome, Takato; Igarashi, Atsushi; Nagai, Go; Tsutsumi, Ken; Ina, Toshiaki; Omiya, Takuya; Takaya, Hikaru; Yamazoe, Seiji","Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization","Organometallics","2017","36","3","530","","10.1021/acs.organomet.6b00727","","","0.71075","MoKα","","","0.0453","","","","0.1615","","","","","","1.074","","","","has coordinates","193628","2020-10-21","18:00:00",""
"4086946","15.3788","0.0003","14.9492","0.0011","9.2127","0.0002","90","","90","","90","","2118.01","0.17","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H18 B F3 N6 Ni -","- C22 H18 B F3 N6 Ni -","- C88 H72 B4 F12 N24 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Camasso, Nicole M.; Sanford, Melanie S.","An Organometalllic NiIV Complex That Participates in Competing Transmetalation and C(sp2)‒O Bond-Forming Reductive Elimination Reactions","Organometallics","2017","36","2","247","","10.1021/acs.organomet.6b00810","","","1.54178","CuKα","","0.0479","0.0437","","","0.117","0.1197","","","","","","1.097","","","","has coordinates","190887","2020-10-21","18:00:00",""
"4086947","9.30266","0.00015","12.21955","0.00019","11.0832","0.0002","90","","102.641","0.0018","90","","1229.34","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 B N -","- C13 H26 B N -","- C52 H104 B4 N4 -","4","1","","Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions","Organometallics","2017","36","3","742","","10.1021/acs.organomet.6b00935","","x-ray","1.54184","CuKα","","0.0355","0.0323","","","0.0866","0.0893","","","","","","1.059","","","","has coordinates","193625","2020-10-21","18:00:00",""
"4086948","15.1625","0.0005","11.1717","0.0002","13.8554","0.0004","90","","116.224","0.004","90","","2105.41","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 B2 N -","- C23 H43 B2 N -","- C92 H172 B8 N4 -","4","1","","Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions","Organometallics","2017","36","3","742","","10.1021/acs.organomet.6b00935","","x-ray","1.54184","CuKα","","0.0553","0.0406","","","0.098","0.1076","","","","","","1.026","","","","has coordinates,has disorder","193625","2020-10-21","18:00:00",""
"4086949","8.4657","0.0007","13.0744","0.0018","14.2825","0.0015","75.75","0.01","80.154","0.008","82.275","0.009","1502.6","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H60 B3 N -","- C33 H60 B3 N -","- C66 H120 B6 N2 -","2","1","","Körte, Leif A.; Blomeyer, Sebastian; Peters, Jan-Hendrik; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Dynamic Exchange in Intramolecular Lewis Pairs with Multiple Lewis-Acidic Functions","Organometallics","2017","36","3","742","","10.1021/acs.organomet.6b00935","","x-ray","1.54184","CuKα","","0.0613","0.0476","","","0.1266","0.1323","","","","","","1.057","","","","has coordinates,has disorder","193625","2020-10-21","18:00:00",""
"4086950","8.193","0.0016","20.507","0.004","14.174","0.003","90","","94.523","0.002","90","","2374","0.8","93","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex7sme2","","- C22 H33 O3 P Pt S2 -","- C22 H33 O3 P Pt S2 -","- C88 H132 O12 P4 Pt4 S8 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0334","0.0291","","","0.0731","0.0758","","","","","","1.113","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086951","13.738","0.004","8.982","0.002","19.759","0.005","90","","95.361","0.004","90","","2427.5","1.1","93","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","complex7-thf","","- C24 H35 O4 P Pt S -","- C24 H35 O4 P Pt S -","- C96 H140 O16 P4 Pt4 S4 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0416","0.0346","","","0.0667","0.071","","","","","","1.097","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086952","11.049","0.004","13.388","0.005","23.336","0.008","90","","93.252","0.005","90","","3446","2","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 K O5 P Pt S -","- C34 H48 K O5 P Pt S -","- C136 H192 K4 O20 P4 Pt4 S4 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0731","0.0614","","","0.122","0.1301","","","","","","1.123","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086953","14.6","0.003","8.0423","0.0018","16.644","0.004","90","","101.966","0.003","90","","1911.8","0.7","93","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex8-sme2","","- C16 H29 O3 P Pt S2 -","- C16 H29 O3 P Pt S2 -","- C64 H116 O12 P4 Pt4 S8 -","4","1","","Pal, Shrinwantu; Kusumoto, Shuhei; Nozaki, Kyoko","Facile Styrene Formation from Ethylene and a Phenylplatinum(II) Complex Leading to an Observable Platinum(II) Hydride","Organometallics","2017","36","3","502","","10.1021/acs.organomet.6b00892","","","0.71075","MoKα","","0.0305","0.0297","","","0.0782","0.0788","","","","","","1.108","","","","has coordinates","193620","2020-10-21","18:00:00",""
"4086954","12.671","0.002","13.823","0.002","19.54","0.005","107.101","0.003","94.717","0.003","113.622","0.002","2917.8","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H104 Ir2 N4 P4 -","- C53.5 H104 Ir2 N4 P4 -","- C107 H208 Ir4 N8 P8 -","2","1","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.0571","0.0366","","","0.0725","0.0804","","","","","","0.98","","","","has coordinates,has disorder","193619","2020-10-21","18:00:00",""
"4086955","10.226","0.004","15.478","0.005","19.63","0.007","90","","98.77","0.005","90","","3070.7","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H104 Ir2 N4 P4 -","- C56 H104 Ir2 N4 P4 -","- C112 H208 Ir4 N8 P8 -","2","0.5","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.0422","0.0289","","","0.062","0.067","","","","","","0.987","","","","has coordinates,has disorder","193619","2020-10-21","18:00:00",""
"4086956","13.222","0.004","15.518","0.005","17.539","0.005","90","","99.522","0.005","90","","3549.1","1.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H56 Br Ir N2 O0.5 P2 -","- C31.5 H56 Br Ir N2 O0.5 P2 -","- C126 H224 Br4 Ir4 N8 O2 P8 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.0472","0.0317","","","0.0746","0.0805","","","","","","1.015","","","","has coordinates,has disorder","193619","2020-10-21","18:00:00",""
"4086957","9.2313","0.0011","10.1833","0.0012","18.029","0.002","99.495","0.002","93.844","0.002","100.595","0.002","1634.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H55 Ir N2 P2 -","- C32 H55 Ir N2 P2 -","- C64 H110 Ir2 N4 P4 -","2","1","","Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique; San-Torcuato, Ainhoa; Tsai, Jui-Yi; Xia, Chuanjun","Formation of Dinuclear Iridium Complexes by NHC-Supported C‒H Bond Activation","Organometallics","2017","36","3","699","","10.1021/acs.organomet.6b00891","","","0.71073","MoKα","","0.036","0.0285","","","0.0645","0.0673","","","","","","1.024","","","","has coordinates","193619","2020-10-21","18:00:00",""
"4086958","8.5042","0.0006","22.0689","0.0016","17.5355","0.0012","90","","97.848","0.004","90","","3260.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Br2 F6 N7 Ni -","- C29 H25 Br2 F6 N7 Ni -","- C116 H100 Br8 F24 N28 Ni4 -","4","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0645","0.0342","","","0.0641","0.0688","","","","","","0.915","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086959","15.8492","0.0006","16.5968","0.0007","18.1661","0.0007","109.771","0.002","107.782","0.002","96.691","0.002","4151.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H97 Br3 N11 Ni3 O2 -","- C84.425 H91 Br3 N9 Ni3 O2.5 -","- C168.85 H182 Br6 N18 Ni6 O5 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0693","0.0437","","","0.1165","0.1283","","","","","","1.037","","","","has coordinates,has disorder","193624","2020-10-21","18:00:00",""
"4086960","15.1338","0.0014","15.5824","0.0018","15.638","0.0017","111.886","0.004","95.128","0.004","114.62","0.003","2977.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 N6 Ni O -","- C66 H88 N6 Ni O -","- C132 H176 N12 Ni2 O2 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0643","0.0438","","","0.099","0.1082","","","","","","1.011","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086961","10.1477","0.0018","13.953","0.002","30.344","0.005","88.662","0.013","80.457","0.009","84.862","0.009","4219.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H109 N6 Ni2 O2 -","- C98 H108 N6 Ni2 O2 -","- C196 H216 N12 Ni4 O4 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0681","0.0469","","","0.1103","0.121","","","","","","1.041","","","","has coordinates,has disorder","193624","2020-10-21","18:00:00",""
"4086962","17.2771","0.0013","12.8993","0.0013","22.334","0.002","90","","93.523","0.007","90","","4968","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N3 Ni0.5 -","- C28 H34 N3 Ni0.5 -","- C224 H272 N24 Ni4 -","8","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0931","0.051","","","0.1195","0.1307","","","","","","0.988","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086963","19.615","0.003","27.998","0.004","11.7119","0.0017","90","","90","","90","","6432","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C70.5 H78 N6 Ni2 -","- C70.5 H75 N6 Ni2 -","- C282 H300 N24 Ni8 -","4","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.1628","0.0977","","","0.2272","0.2586","","","","","","1.057","","","","has coordinates,has disorder","193624","2020-10-21","18:00:00",""
"4086964","8.7274","0.0011","13.7311","0.0016","15.2359","0.0017","71.069","0.005","79.57","0.006","72.234","0.006","1637.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 N3 Ni -","- C39 H51 N3 Ni -","- C78 H102 N6 Ni2 -","2","1","","Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav","Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States","Organometallics","2017","36","3","582","","10.1021/acs.organomet.6b00793","","","0.71073","MoKα","","0.0686","0.0426","","","0.0834","0.0935","","","","","","1.001","","","","has coordinates","193624","2020-10-21","18:00:00",""
"4086965","13.9485","0.0009","16.9908","0.0011","25.0551","0.0016","84.846","0.005","80.844","0.005","84.82","0.005","5821.1","0.7","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C122 H74 B2 Ca2 F24 N12 -","- C122 H74 B2 Ca2 F24 N12 -","- C244 H148 B4 Ca4 F48 N24 -","2","1","","Romero, Nuria; Dufrois, Quentin; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly Fluorinated Tris(indazolyl)borate Hydrocarbyl Complexes of Calcium and Magnesium: Synthesis and Structural Studies","Organometallics","2017","36","3","564","","10.1021/acs.organomet.6b00783","","x-ray","0.71073","MoKα","","0.2619","0.0949","","","0.1967","0.268","","","","","","0.818","","","","has coordinates","193622","2020-10-21","18:00:00",""
"4086966","18.077","0.002","23.259","0.003","20.616","0.003","90","","99.717","0.004","90","","8543.7","1.9","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 B F12 Mg N7 Si2 -","- C43 H30 B F12 Mg N7 Si2 -","- C344 H240 B8 F96 Mg8 N56 Si16 -","8","2","","Romero, Nuria; Dufrois, Quentin; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly Fluorinated Tris(indazolyl)borate Hydrocarbyl Complexes of Calcium and Magnesium: Synthesis and Structural Studies","Organometallics","2017","36","3","564","","10.1021/acs.organomet.6b00783","","","0.71073","MoKα","","0.0374","0.031","","","0.0851","0.0914","","","","","","1.055","","","","has coordinates","193622","2020-10-21","18:00:00",""
"4086967","14.6512","0.0007","21.1879","0.001","24.7501","0.0011","110.899","0.001","104.544","0.002","94.182","0.002","6834.5","0.6","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C47 H21 B F12 Mg N6 -","- C47 H21 B F12 Mg N6 -","- C282 H126 B6 F72 Mg6 N36 -","6","3","","Romero, Nuria; Dufrois, Quentin; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly Fluorinated Tris(indazolyl)borate Hydrocarbyl Complexes of Calcium and Magnesium: Synthesis and Structural Studies","Organometallics","2017","36","3","564","","10.1021/acs.organomet.6b00783","","","0.71073","MoKα","","0.0729","0.0522","","","0.1488","0.1588","","","","","","1.06","","","","has coordinates","193622","2020-10-21","18:00:00",""
"4086968","9.0934","0.0013","9.9794","0.0015","14.098","0.002","81.042","0.005","78.122","0.004","81.507","0.005","1227.8","0.3","99","2","99","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H25 Br2 Cl2 N3 O Pd -","- C21 H25 Br2 Cl2 N3 O Pd -","- C42 H50 Br4 Cl4 N6 O2 Pd2 -","2","1","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0272","0.0223","","","0.0561","0.058","","","","","","1.018","","","","has coordinates","191283","2020-10-21","18:00:00",""
"4086969","9.3977","0.0013","11.5074","0.0016","12.2369","0.0016","108.238","0.004","106.89","0.005","107.292","0.004","1087.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 Au F6 N3 O P -","- C20 H23 Au F6 N3 O P -","- C40 H46 Au2 F12 N6 O2 P2 -","2","1","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0285","0.0255","","","0.0542","0.0559","","","","","","1.229","","","","has coordinates,has disorder","191283","2020-10-21","18:00:00",""
"4086970","11.0405","0.0002","19.4798","0.0004","14.9316","0.0003","90","","98.329","0.001","90","","3177.42","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Br2 N3 O Pd Si -","- C29 H43 Br2 N3 O Pd Si -","- C116 H172 Br8 N12 O4 Pd4 Si4 -","4","1","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0565","0.0341","","","0.07","0.0771","","","","","","1.034","","","","has coordinates","191283","2020-10-21","18:00:00",""
"4086971","10.56","0.0002","10.6675","0.0002","12.886","0.0003","69.634","0.001","88.103","0.001","77.301","0.001","1326.07","0.05","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H62 Au2 F12 N6 O5 P2 -","- C44 H56 Au2 F12 N6 O5 P2 -","- C44 H56 Au2 F12 N6 O5 P2 -","1","0.5","","Meier, Martin; Tan, Tristan Tsai Yuan; Hahn, F. Ekkehardt; Huynh, Han Vinh","Donor Strength Determination of Benzoxazolin-2-ylidene, Benzobisoxazolin-2-ylidene, and Their Isocyanide Precursors by 13C NMR Spectroscopy of Their PdII and AuI Complexes","Organometallics","2017","36","2","275","","10.1021/acs.organomet.6b00736","","","0.71073","MoKα","","0.0377","0.0359","","","0.0919","0.0934","","","","","","1.167","","","","has coordinates,has disorder","191283","2020-10-21","18:00:00",""
"4086972","9.2192","0.0005","11.089","0.0006","19.7174","0.0011","88.1345","0.0006","81.6658","0.0006","66.137","0.0006","1823.2","0.17","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H43 P3 Pt -","- C43 H43 P3 Pt -","- C86 H86 P6 Pt2 -","2","1","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0232","0.0217","","","0.0551","0.0561","","","","","","1.063","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086973","12.5033","0.0014","14.6582","0.0016","15.264","0.003","112.81","0.002","106.21","0.002","102.58","0.001","2302.1","0.6","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H53 Ag F3 O4 P3 Pt S -","- C48 H53 Ag F3 O4 P3 Pt S -","- C96 H106 Ag2 F6 O8 P6 Pt2 S2 -","2","1","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0298","0.0266","","","0.0657","0.0676","","","","","","1.034","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086974","11.079","0.002","14.147","0.003","38.938","0.007","90","","95.011","0.002","90","","6080","2","173.15","","173.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C63 H60 Ag Cl2 F3 O3 P4 Pt S -","- C63 H60 Ag Cl2 F3 O3 P4 Pt S -","- C252 H240 Ag4 Cl8 F12 O12 P16 Pt4 S4 -","4","1","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0415","0.0369","","","0.0867","0.0887","","","","","","1.1","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086975","13.6883","0.0008","17.7602","0.0011","25.7558","0.0015","89.4128","0.0008","78.9409","0.0008","81.5996","0.0008","6078.2","0.6","173.15","","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C63 H60 Ag Cl2 F3 O6 P4 Pt S -","- C63 H60 Ag Cl2 F3 O6 P4 Pt S -","- C252 H240 Ag4 Cl8 F12 O24 P16 Pt4 S4 -","4","2","","Kubo, Kazuyuki; Okitsu, Hiroyuki; Miwa, Hiroto; Kume, Shoko; Cavell, Ronald G.; Mizuta, Tsutomu","Carbon(0)-Bridged Pt/Ag Dinuclear and Tetranuclear Complexes Based on a Cyclometalated Pincer Carbodiphosphorane Platform","Organometallics","2017","36","2","266","","10.1021/acs.organomet.6b00700","","","0.71073","MoKα","","0.0496","0.0354","","","0.0775","0.0849","","","","","","1.021","","","","has coordinates,has disorder","191284","2020-10-21","18:00:00",""
"4086976","11.109","0.002","19.38","0.004","23.085","0.005","90","","93.32","0.03","90","","4961.7","1.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H12 B F3 N6 O3 S -","- C25 H12 B F3 N6 O3 S -","- C200 H96 B8 F24 N48 O24 S8 -","8","2","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.091","0.0828","","","0.2446","0.2562","","","","","","1.087","","","","has coordinates,has disorder","191285","2020-10-21","18:00:00",""
"4086977","25.711","0.006","8.4523","0.0016","20.757","0.005","90","","124.615","0.002","90","","3712.4","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H25.12 B2 N12 O1.56 -","- C48 H25.124 B2 N12 O1.562 -","- C192 H100.496 B8 N48 O6.248 -","4","0.5","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0564","0.0523","","","0.1147","0.1178","","","","","","1.136","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4086978","10.537","0.002","15.918","0.003","11.484","0.002","90","","90","","90","","1926.2","0.6","173.15","","173.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H15 B N6 -","- C25 H15 B N6 -","- C100 H60 B4 N24 -","4","0.5","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0583","0.0575","","","0.1403","0.1409","","","","","","1.164","","","","has coordinates,has disorder","191285","2020-10-21","18:00:00",""
"4086979","14.187","0.002","17.603","0.003","18.327","0.003","90","","90","","90","","4576.9","1.3","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21.65 B N6 O1.32 -","- C28 H21.648 B N6 O1.324 -","- C224 H173.184 B8 N48 O10.592 -","8","1","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0637","0.0593","","","0.1431","0.1463","","","","","","1.153","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4086980","14.656","0.003","9.9791","0.0015","15.223","0.003","90","","109.024","0.002","90","","2104.8","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H37 B F3 N7 O4 S -","- C46 H37 B F3 N7 O4 S -","- C92 H74 B2 F6 N14 O8 S2 -","2","1","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.049","0.0461","","","0.1074","0.11","","","","","","1.048","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4086981","11.329","0.003","12.492","0.003","19.268","0.005","80.125","0.008","73.867","0.006","88.177","0.01","2580.3","1.1","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 B N6 O2 Si -","- C28 H24.5 B N6 O2 Si -","- C112 H98 B4 N24 O8 Si4 -","4","2","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0782","0.0695","","","0.1604","0.1659","","","","","","1.159","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4086982","16.8626","0.0007","17.546","0.0008","22.2763","0.0009","98.669","0.002","91.245","0.002","93.451","0.002","6500.6","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C255 H252 Ag14 F18 N8 O24 P12 S6 -","- C255 H252 Ag14 F18 N8 O24 P12 S6 -","- C255 H252 Ag14 F18 N8 O24 P12 S6 -","1","0.5","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0613","0.0462","","","0.1274","0.1415","","","","","","1.035","","","","has coordinates,has disorder","191286","2020-10-21","18:00:00",""
"4086983","13.8948","0.0009","14.7416","0.001","15.8355","0.0011","112.562","0.002","99.276","0.002","94.822","0.002","2918.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H110 Ag8 F12 O14 P6 S4 -","- C108 H110 Ag8 F12 O14 P6 S4 -","- C108 H110 Ag8 F12 O14 P6 S4 -","1","0.5","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.054","0.039","","","0.1008","0.1068","","","","","","1.042","","","","has coordinates,has disorder","191286","2020-10-21","18:00:00",""
"4086984","22.423","0.001","15.8745","0.0007","34.3444","0.0015","90","","108.536","0.001","90","","11590.8","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H83 Ag6 F9 O12 P6 S3 -","- C104 H83 Ag6 F9 O12 P6 S3 -","- C416 H332 Ag24 F36 O48 P24 S12 -","4","1","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0877","0.0715","","","0.1687","0.1795","","","","","","1.085","","","","has coordinates,has disorder","191287","2020-10-21","18:00:00",""
"4086985","25.4","0.004","30.627","0.005","30.131","0.005","90","","96.935","0.005","90","","23268","7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C235 H208 Ag12 F18 O25 P12 -","- C235 H208 Ag12 F18 O25 P12 -","- C940 H832 Ag48 F72 O100 P48 -","4","1","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.1041","0.0847","","","0.181","0.1922","","","","","","1.184","","","","has coordinates,has disorder","191287","2020-10-21","18:00:00",""
"4086986","19.547","0.004","21.52","0.004","24.334","0.005","90","","96.446","0.004","90","","10171","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C212 H169 Ag12 F18 N5 O18 P12 S6 -","- C212 H169 Ag12 F18 N5 O18 P12 S6 -","- C424 H338 Ag24 F36 N10 O36 P24 S12 -","2","0.5","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0377","0.0286","","","0.064","0.0691","","","","","","1.048","","","","has coordinates,has disorder","191288","2020-10-21","18:00:00",""
"4086987","18.4199","0.001","18.4199","0.001","21.9233","0.0011","90","","90","","120","","6441.9","0.6","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C104 H74 Ag6 F18 O9 P6 S3 -","- C104 H74 Ag6 F18 O9 P6 S3 -","- C208 H148 Ag12 F36 O18 P12 S6 -","2","0.333333","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0536","0.0483","","","0.1113","0.1139","","","","","","1.068","","","","has coordinates,has disorder","191288","2020-10-21","18:00:00",""
"4086988","14.618","0.0004","20.217","0.0005","22.3293","0.0006","81.432","0.001","76.26","0.001","73.098","0.001","6110.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H117 Ag7 F12 O21 P6 S4 -","- C118 H117 Ag7 F12 O21 P6 S4 -","- C236 H234 Ag14 F24 O42 P12 S8 -","2","1","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0605","0.0376","","","0.0866","0.0976","","","","","","1.012","","","","has coordinates","191289","2020-10-21","18:00:00",""
"4086989","23.0625","0.0006","23.0625","0.0006","39.8602","0.0011","90","","90","","120","","18360.4","0.8","120","2","120","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C225 H202 Ag14 F24 N6 O27 P12 S8 -","- C225 H202 Ag14 F23.9994 N6 O26.9998 P12 S7.9998 -","- C674.999 H606 Ag42 F71.9982 N18 O80.9994 P36 S23.9994 -","3","0.166667","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0307","0.0271","","","0.0766","0.0791","","","","","","1.037","","","","has coordinates","191289","2020-10-21","18:00:00",""
"4086990","12.2467","0.0016","6.2204","0.0008","28.948","0.004","90","","94.182","0.002","90","","2199.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F3 N3 O2 Pt -","- C26 H16 F3 N3 O2 Pt -","- C104 H64 F12 N12 O8 Pt4 -","4","1","","Lu, Guang-Zhao; Jing, Yi-Ming; Han, Hua-Bo; Fang, Yu-Liang; Zheng, You-Xuan","Efficient Electroluminescence of Two Heteroleptic Platinum Complexes with a 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenol Ancillary Ligand","Organometallics","2017","36","2","448","","10.1021/acs.organomet.6b00851","","","0.71073","MoKα","","0.047","0.0395","","","0.0961","0.1001","","","","","","1.031","","","","has coordinates","191290","2020-10-21","18:00:00",""
"4086991","34.862","0.002","13.2682","0.0004","18.4917","0.0009","90","","120.374","0.006","90","","7379.4","0.8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H92 Br2 F12 N2 P2 Pd2 -","- C74 H92 Br2 F12.0012 N2 P2 Pd2 -","- C296 H368 Br8 F48.0048 N8 P8 Pd8 -","4","0.5","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0779","0.0611","","0.1666","0.155","0.1666","","","","","","0.9802","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086992","10.1885","0.0003","23.9972","0.0007","15.4185","0.0005","90","","105.223","0.003","90","","3637.5","0.2","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H76 Br2 Cl6 F12 N6 P2 Pd2 -","- C64 H76 Br2 Cl6 F12 N6 P2 Pd2 -","- C128 H152 Br4 Cl12 F24 N12 P4 Pd4 -","2","0.5","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0536","0.0376","","0.0756","0.0669","0.0756","","","","","","0.934","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086993","10.253","0.001","12.664","0.001","15.385","0.001","75.285","0.007","85.433","0.008","88.94","0.009","1926","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H82 Br2 Cl6 F12 P2 Pd2 -","- C72 H82 Br2 Cl6 F12 P2 Pd2 -","- C72 H82 Br2 Cl6 F12 P2 Pd2 -","1","0.5","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.2033","0.0956","","0.2114","0.1446","0.2114","","","","","","0.9727","","","","has coordinates","191291","2020-10-21","18:00:00",""
"4086994","24.7599","0.0008","17.799","0.0005","9.2601","0.0003","90","","112.788","0.004","90","","3762.4","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Br F6 N2 P Pd -","- C39 H47 Br F6 N2 P Pd -","- C156 H188 Br4 F24 N8 P4 Pd4 -","4","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0464","0.0357","","0.0655","0.0582","0.0655","","","","","","0.9403","","","","has coordinates","191291","2020-10-21","18:00:00",""
"4086995","10.78","0.0008","13.6203","0.0009","14.897","0.001","91.076","0.005","98.051","0.006","101.012","0.006","2123.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H52 F6 N O4 P Pd -","- C45 H52 F6 N O4 P Pd -","- C90 H104 F12 N2 O8 P2 Pd2 -","2","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0798","0.0603","","0.1608","0.125","0.1608","","","","","","0.9578","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086996","15.2576","0.0001","11.6647","0.00009","20.1707","0.0002","90","","91.4013","0.0008","90","","3588.81","0.05","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 N3 O4 P Pd -","- C36 H44 F6 N3 O4 P Pd -","- C144 H176 F24 N12 O16 P4 Pd4 -","4","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0341","0.0274","","0.0464","0.0417","0.0464","","","","","","0.9674","","","","has coordinates","191291","2020-10-21","18:00:00",""
"4086997","10.1653","0.0004","11.2879","0.0005","17.6123","0.0005","79.148","0.003","85.503","0.003","72.106","0.004","1888.31","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 F6 O4 P Pd -","- C40 H47 F6 O4 P Pd -","- C80 H94 F12 O8 P2 Pd2 -","2","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","1.5418","CuKα","","0.027","0.0257","","0.0698","0.0681","0.0698","","","","","","0.9689","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086998","9.4972","0.0005","22.771","0.001","22.735","0.001","90","","100.095","0.005","90","","4840.6","0.4","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H53 F12 N2 O4 P Pd -","- C49 H53 F12 N2 O4 P Pd -","- C196 H212 F48 N8 O16 P4 Pd4 -","4","1","","Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier","Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes","Organometallics","2017","36","1","129","","10.1021/acs.organomet.6b00535","","","0.7107","MoKα","","0.0912","0.0608","","0.1386","0.1143","0.1386","","","","","","0.9765","","","","has coordinates,has disorder","191291","2020-10-21","18:00:00",""
"4086999","11.534","0.003","13.143","0.003","20.525","0.005","71.835","0.002","87.753","0.002","79.358","0.002","2904.9","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","1","0.5","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","MoKα","","0.0606","0.0459","","","0.1078","0.1133","","","","","","1.047","","","","has coordinates,has disorder","191292","2020-10-21","18:00:00",""
"4087000","10.3102","0.0012","22.263","0.003","16.831","0.002","90","","90.324","0.0015","90","","3863.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 F5 Fe N2 O Sc Si2 -","- C35 H53 F5 Fe N2 O Sc Si2 -","- C140 H212 F20 Fe4 N8 O4 Sc4 Si8 -","4","1","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","mokα","","0.0431","0.0324","","","0.0776","0.0833","","","","","","0.981","","","","has coordinates","191292","2020-10-21","18:00:00",""
"4087001","15.647","0.002","11.5537","0.0016","16.847","0.002","90","","102.994","0.0018","90","","2967.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 F2 Fe2 N4 O2 Si4 Y2 -","- C52 H92 F2 Fe2 N4 O2 Si4 Y2 -","- C104 H184 F4 Fe4 N8 O4 Si8 Y4 -","2","0.5","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","MoKα","","0.0579","0.0416","","","0.1033","0.1095","","","","","","1.058","","","","has coordinates,has disorder","191292","2020-10-21","18:00:00",""
"4087002","15.494","0.003","11.624","0.003","16.746","0.004","90","","102.539","0.002","90","","2944.1","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 F2 Fe2 Lu2 N4 O2 Si4 -","- C52 H92 F2 Fe2 Lu2 N4 O2 Si4 -","- C104 H184 F4 Fe4 Lu4 N8 O4 Si8 -","2","0.5","","Huang, Wenliang; Diaconescu, Paula L.","Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes","Organometallics","2017","36","1","89","","10.1021/acs.organomet.6b00661","","","0.71073","MoKα","","0.0673","0.0548","","","0.1266","0.1297","","","","","","1.242","","","","has coordinates,has disorder","191292","2020-10-21","18:00:00",""
"4087003","9.481","0.002","19.524","0.005","17.101","0.004","90","","91.465","0.004","90","","3164.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 Cl O P2 Rh -","- C33 H46 Cl O P2 Rh -","- C132 H184 Cl4 O4 P8 Rh4 -","4","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0921","0.0503","","","0.1058","0.1208","","","","","","0.998","","","","has coordinates,has disorder","191293","2020-10-21","18:00:00",""
"4087004","14.6602","0.0004","20.0564","0.0007","21.1865","0.0008","90","","90","","90","","6229.5","0.4","150.05","0.1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 F O P2 Rh -","- C33 H44 F O P2 Rh -","- C264 H352 F8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","x-ray","0.71073","MoKα","","0.1199","0.0532","","","0.0841","0.1084","","","","","","1.027","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087005","14.7544","0.0011","19.8932","0.0016","21.5065","0.0017","90","","90","","90","","6312.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 Cl O P2 Rh -","- C33 H44 Cl O P2 Rh -","- C264 H352 Cl8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0885","0.0479","","","0.081","0.0948","","","","","","1.037","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087006","11.854","0.003","23.722","0.006","12.685","0.003","90","","112.216","0.004","90","","3302.2","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 Cl3 O P2 Rh -","- C33 H44 Cl3 O P2 Rh -","- C132 H176 Cl12 O4 P8 Rh4 -","4","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.1309","0.0579","","","0.1222","0.152","","","","","","1.029","","","","has coordinates,has disorder","191293","2020-10-21","18:00:00",""
"4087007","47.708","0.008","12.228","0.002","33.505","0.005","90","","133.874","0.002","90","","14090","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H47 Cl3 O1.5 P2 Rh -","- C34.5 H47 Cl3 O1.5 P2 Rh -","- C552 H752 Cl48 O24 P32 Rh16 -","16","2","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0815","0.0622","","","0.1527","0.1613","","","","","","1.113","","","","has coordinates,has disorder","191293","2020-10-21","18:00:00",""
"4087008","14.9955","0.001","10.3337","0.0006","18.7133","0.0012","90","","91.386","0.003","90","","2898.9","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 B F3 P Pd -","- C30 H47 B F3 P Pd -","- C120 H188 B4 F12 P4 Pd4 -","4","1","","Tchawou, Augustin A. S. W.; Raducan, Mihai; Chen, Peter","Mechanism-Based Design and Optimization of a Catalytic Electrophilic Cyclopropanation without Diazomethane","Organometallics","2017","36","1","180","","10.1021/acs.organomet.6b00531","","x-ray","0.71073","MoKα","","0.0712","0.0409","","","0.0714","0.08","","","","","","1.033","","","","has coordinates","191294","2020-10-21","18:00:00",""
"4087009","8.281","0.0012","11.426","0.0019","14.823","0.002","67.454","0.008","77.603","0.009","78.785","0.009","1255.3","0.3","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 Mg N6 -","- C22 H38 Mg N6 -","- C44 H76 Mg2 N12 -","2","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1176","0.0655","","","0.161","0.1956","","","","","","0.943","","","","has coordinates","193614","2020-10-21","18:00:00",""
"4087010","29.4357","0.001","17.3456","0.0005","14.5806","0.0004","90","","117.559","0.002","90","","6599.9","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Li N6 O1.5 -","- C32 H41 Li N6 O1.5 -","- C256 H328 Li8 N48 O12 -","8","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1242","0.0641","","","0.1788","0.2144","","","","","","1.006","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087011","12.3315","0.0006","13.9898","0.0007","15.2758","0.0007","90","","91.561","0.002","90","","2634.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Mg N6 -","- C24 H42 Mg N6 -","- C96 H168 Mg4 N24 -","4","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.0468","0.0367","","","0.0989","0.1031","","","","","","1.077","","","","has coordinates","193614","2020-10-21","18:00:00",""
"4087012","12.6982","0.0016","13.5024","0.0016","14.0702","0.0016","67.473","0.005","85.167","0.006","80.586","0.006","2197.7","0.5","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Mg N6 -","- C45 H69 Mg N6 -","- C90 H138 Mg2 N12 -","2","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.0745","0.046","","","0.1051","0.1208","","","","","","1.012","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087013","12.359","0.005","13.722","0.006","14.25","0.006","80.692","0.008","71.671","0.009","72.856","0.008","2185.8","1.6","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H132 Mg4 N12 O4 -","- C81 H132 Mg4 N12 O4 -","- C81 H132 Mg4 N12 O4 -","1","0.5","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.2094","0.1141","","","0.2646","0.3149","","","","","","1.046","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087014","13.935","0.004","17.911","0.006","18.857","0.005","90","","110.35","0.006","90","","4413","2","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H62 Mg2 N6 O2 -","- C42 H62 Mg2 N6 O2 -","- C168 H248 Mg8 N24 O8 -","4","0.5","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.2581","0.0731","","","0.18","0.2784","","","","","","0.871","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087015","13.1941","0.0007","20.713","0.0012","20.9225","0.0013","90","","106.251","0.002","90","","5489.4","0.6","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H79 Mg2 N6 -","- C50 H79 Mg2 N6 -","- C200 H316 Mg8 N24 -","4","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1176","0.0668","","","0.1742","0.2042","","","","","","1.024","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087016","12.7971","0.0006","30.4929","0.0016","13.3628","0.0007","90","","110.375","0.002","90","","4888.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H80 Mg3 N6 O3 -","- C42 H80 Mg3 N6 O3 -","- C168 H320 Mg12 N24 O12 -","4","1","","Garcés, Andrés; Sánchez-Barba, Luis F.; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Studies on Multinuclear Magnesium tert-Butyl Heteroscorpionates: Synthesis, Coordination Ability, and Heteroselective Ring-Opening Polymerization of rac-Lactide","Organometallics","2017","36","4","884","","10.1021/acs.organomet.6b00934","","","0.71073","MoKα","","0.1047","0.0613","","","0.1554","0.1832","","","","","","1.024","","","","has coordinates,has disorder","193614","2020-10-21","18:00:00",""
"4087017","11.4524","0.0006","21.4998","0.0012","11.8603","0.0007","90","","112.366","0.002","90","","2700.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H100 Mg2 N8 O4 -","- C48 H100 Mg2 N8 O4 -","- C96 H200 Mg4 N16 O8 -","2","1","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.0815","0.0549","","","0.1149","0.1272","","","","","","1.02","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087018","10.8063","0.0003","20.6506","0.0006","20.8643","0.0007","90","","98.575","0.001","90","","4604","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C40 H85 Li2 Mg2 N4 O2 -","- C40 H85 Li2 Mg2 N4 O2 -","- C160 H340 Li8 Mg8 N16 O8 -","4","2","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.1053","0.077","","","0.198","0.2214","","","","","","1.02","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087019","12.3602","0.0004","18.6577","0.0006","14.28","0.0004","90","","98.398","0.001","90","","3257.84","0.17","73","2","73","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H118 Li6 Mg2 N8 O6 -","- C56 H118 Li6 Mg2 N8 O6 -","- C112 H236 Li12 Mg4 N16 O12 -","2","0.5","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.0912","0.0645","","","0.1666","0.1862","","","","","","1.04","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087020","10.726","0.003","10.944","0.003","19.524","0.005","90","","103.864","0.008","90","","2225.1","1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Al Li N2 O -","- C18 H40 Al Li N2 O -","- C72 H160 Al4 Li4 N8 O4 -","4","1","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.1172","0.072","","","0.1785","0.2054","","","","","","1.044","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087021","11.6445","0.0011","10.8813","0.0011","20.288","0.002","90","","105.151","0.003","90","","2481.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H46 Al Li N2 O -","- C21 H46 Al Li N2 O -","- C84 H184 Al4 Li4 N8 O4 -","4","1","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.1248","0.0681","","","0.1343","0.1617","","","","","","1.001","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087022","11.0781","0.0001","17.6947","0.0002","25.0413","0.0003","90","","90","","90","","4908.69","0.09","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H72 B Cl2 F4 Ir N2 -","- C56 H72 B Cl2 F4 Ir N2 -","- C224 H288 B4 Cl8 F16 Ir4 N8 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0393","0.0341","","","0.0642","0.0667","","","","","","1.034","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087023","11.0054","0.0003","14.5748","0.0003","18.979","0.0004","95.964","0.002","106.586","0.002","110.697","0.002","2657.14","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H70 F6 Ir N3 O4 S2 -","- C57 H70 F6 Ir N3 O4 S2 -","- C114 H140 F12 Ir2 N6 O8 S4 -","2","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0312","0.0272","","","0.0604","0.0623","","","","","","1.031","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087024","18.7433","0.0004","16.2961","0.0002","20.917","0.0004","90","","114.668","0.002","90","","5805.9","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 Ag Cl5 F3 Ir N2 O3 S -","- C58 H74 Ag Cl5 F3 Ir N2 O3 S -","- C232 H296 Ag4 Cl20 F12 Ir4 N8 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0415","0.0303","","","0.0684","0.0733","","","","","","1.051","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087025","16.1808","0.0002","20.6128","0.0002","18.5105","0.0002","90","","114.452","0.002","90","","5620.1","0.14","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61 H82 Ag Cl F3 Ir N2 O3 S -","- C61 H82 Ag Cl F3 Ir N2 O3 S -","- C244 H328 Ag4 Cl4 F12 Ir4 N8 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0507","0.0383","","","0.0827","0.0863","","","","","","1.102","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087026","16.7464","0.0003","18.2332","0.0005","20.9597","0.0004","89.514","0.002","89.168","0.002","65.3","0.002","5813.7","0.2","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C260 H280 Ag4 Cl4 D36 F12 Ir4 N8 O12 S4 -","4","2","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0545","0.0449","","","0.1068","0.1109","","","","","","1.071","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087027","16.8311","0.0002","21.1376","0.0002","18.4273","0.0002","90","","115.288","0.002","90","","5927.63","0.15","200","2","200","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C65 H70 Ag Cl D9 F3 Ir N2 O3 S -","- C260 H280 Ag4 Cl4 D36 F12 Ir4 N8 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0497","0.0342","","","0.0737","0.0806","","","","","","1.059","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087028","10.8668","0.0002","16.5355","0.0003","29.5188","0.0005","90","","94.212","0.002","90","","5289.85","0.16","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 Cl2 F3 Ir N2 O2 -","- C58 H72 Cl2 F3 Ir N2 O2 -","- C232 H288 Cl8 F12 Ir4 N8 O8 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0642","0.042","","","0.0916","0.0992","","","","","","1.041","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087029","18.0827","0.0002","17.8237","0.0002","20.6495","0.0002","90","","114.936","0.002","90","","6034.93","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.75 H78.51 Cl5.51 F6 Ir N3 P -","- C59.753 H78.506 Cl5.506 F6 Ir N3 P -","- C239.012 H314.024 Cl22.024 F24 Ir4 N12 P4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0503","0.0369","","","0.0815","0.0889","","","","","","1.041","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087030","14.3668","0.0002","13.4725","0.0001","29.5799","0.0003","90","","102.444","0.001","90","","5590.88","0.11","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H75 Cl2 F3 Ir N3 O3 S -","- C59 H75 Cl2 F3 Ir N3 O3 S -","- C236 H300 Cl8 F12 Ir4 N12 O12 S4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0512","0.04","","","0.0919","0.0982","","","","","","1.053","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087031","17.9388","0.0004","13.4058","0.0002","22.2496","0.0006","90","","99.62","0.002","90","","5275.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H76 F6 Ir N2 O P -","- C58 H76 F6 Ir N2 O P -","- C232 H304 F24 Ir4 N8 O4 P4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","","0.71073","MoKα","","0.0692","0.0478","","","0.1137","0.1303","","","","","","1.005","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087032","21.6624","0.0002","23.31","0.0002","27.8114","0.0004","90","","102.856","0.001","90","","13691.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H94 Ag Cl F6 Ir N2 P -","- C76 H94 Ag Cl F6 Ir N2 P -","- C608 H752 Ag8 Cl8 F48 Ir8 N16 P8 -","8","2","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","1.54178","CuKα","","0.1006","0.0801","","","0.1873","0.1996","","","","","","1.122","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087033","17.1884","0.0009","15.332","0.0008","30.0582","0.0017","90","","101.763","0.006","90","","7755","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C79.5 H98 Ag Cl F6 Ir N2 P -","- C79.5 H98 Ag Cl F6 Ir N2 P -","- C318 H392 Ag4 Cl4 F24 Ir4 N8 P4 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","1.54178","CuKα","","0.1671","0.0972","","","0.2348","0.276","","","","","","0.977","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087034","20.0596","0.0003","15.4526","0.0001","20.0168","0.0002","90","","103.447","0.001","90","","6034.57","0.12","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 Ag Cl F6 Ir N3 O4 S2 -","- C64 H78 Ag Cl F6 Ir N3 O4 S2 -","- C256 H312 Ag4 Cl4 F24 Ir4 N12 O16 S8 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","1.54178","CuKα","","0.0528","0.0399","","","0.1005","0.11","","","","","","1.035","","","","has coordinates,has disorder","193612","2020-10-21","18:00:00",""
"4087035","9.2693","0.0007","15.9085","0.0012","18.2694","0.0014","90","","90","","90","","2694","0.4","123","","123","","","","","","","","Viktor Hoffmann","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Fe2 -","- C40 H24 Fe2 -","- C160 H96 Fe8 -","4","1","","Hoffmann, Viktor; le Pleux, Loïc; Häussinger, Daniel; Unke, Oliver T.; Prescimone, Alessandro; Mayor, Marcel","Deltoid versus Rhomboid: Controlling the Shape of Bis-ferrocene Macrocycles by the Bulkiness of the Substituents","Organometallics","2017","36","4","858","","10.1021/acs.organomet.6b00909","","","1.54178","CuKα","","0.0392","0.0328","","0.0812","0.0747","0.0812","","","","","","0.8648","","","","has coordinates","193608","2020-10-21","18:00:00",""
"4087036","9.073","0.005","26.65","0.005","6.921","0.005","90","0.005","109.955","0.005","90","0.005","1573","1.5","100","","100","","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","[Re(impy)(CO)3Br]","[Re(impy)(CO)3Br]","","- C16 H12 Br N2 O3 Re -","- C16 H12 Br N2 O3 Re -","- C64 H48 Br4 N8 O12 Re4 -","4","1","","Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias","Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence","Organometallics","2017","36","4","839","","10.1021/acs.organomet.6b00897","","x-ray","0.71073","MoKα","","0.0183","0.016","","","0.0322","0.0326","","","","","","1.108","","","","has coordinates","193609","2020-10-21","18:00:00",""
"4087037","18.099","0.005","12.674","0.005","7.424","0.005","90","0.005","101.784","0.005","90","0.005","1667.1","1.4","100","","100","","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","[Re(ampy)(CO)3Br]","[Re(ampy)(CO)3Br]","","- C16 H14 Br N2 O3 Re -","- C16 H14 Br N2 O3 Re -","- C64 H56 Br4 N8 O12 Re4 -","4","1","","Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias","Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence","Organometallics","2017","36","4","839","","10.1021/acs.organomet.6b00897","","x-ray","0.71073","MoKα","","0.0807","0.042","","","0.0619","0.07","","","","","","1.039","","","","has coordinates","193609","2020-10-21","18:00:00",""
"4087038","9.0036","0.0002","15.8691","0.0004","22.8729","0.0006","90","","94.665","0.001","90","","3257.23","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 K N2 O11 Re -","- C29 H36 K N2 O11 Re -","- C116 H144 K4 N8 O44 Re4 -","4","1","","Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias","Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence","Organometallics","2017","36","4","839","","10.1021/acs.organomet.6b00897","","x-ray","0.71073","MoKα","","0.0478","0.0393","","","0.0776","0.0804","","","","","","1.167","","","","has coordinates,has disorder","193609","2020-10-21","18:00:00",""
"4087039","13.1228","0.0009","9.5992","0.0007","16.39","0.0011","90","","102.419","0.001","90","","2016.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B9 Ir S -","- C14 H32 B9 Ir S -","- C56 H128 B36 Ir4 S4 -","4","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0309","0.0219","","","0.0424","0.0457","","","","","","1.026","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087040","10.174","0.002","10.385","0.002","11.252","0.003","91.834","0.004","94.852","0.004","100.624","0.004","1162.9","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H35 B9 Ir N O3 S -","- C16 H35 B9 Ir N O3 S -","- C32 H70 B18 Ir2 N2 O6 S2 -","2","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.086","0.0546","","","0.1047","0.1162","","","","","","0.996","","","","has coordinates,has disorder","193607","2020-10-21","18:00:00",""
"4087041","7.2579","0.0005","10.0699","0.0007","14.6193","0.001","79.285","0.001","76.621","0.001","71.41","0.001","977.92","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 B9 Ir S -","- C14 H32 B9 Ir S -","- C28 H64 B18 Ir2 S2 -","2","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0405","0.0354","","","0.085","0.0883","","","","","","1.076","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087042","15.0257","0.0007","10.0797","0.0005","14.1728","0.0007","90","","90","","90","","2146.54","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H35 B9 Ru S -","- C16 H35 B9 Ru S -","- C64 H140 B36 Ru4 S4 -","4","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0283","0.0255","","","0.0589","0.0606","","","","","","1.021","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087043","8.3766","0.0006","9.7911","0.0007","13.793","0.001","99.404","0.001","94.814","0.001","111.858","0.001","1022.79","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H32 B9 Ir S -","- C15 H32 B9 Ir S -","- C30 H64 B18 Ir2 S2 -","2","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0254","0.0249","","","0.0635","0.0639","","","","","","1.099","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087044","16.63401","0.00006","17.02047","0.00006","18.94559","0.00007","90","","90","","90","","5363.85","0.03","150","2","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 Cl P Ru S -","- C64 H70 Cl P Ru S -","- C256 H280 Cl4 P4 Ru4 S4 -","4","1","","Bähr, Susanne; Oestreich, Martin","Hidden Enantioselective Hydrogenation of N-Silyl Enamines and Silyl Enol Ethers in Net C═N and C═O Hydrosilylations Catalyzed by Ru‒S Complexes with One Monodentate Chiral Phosphine Ligand","Organometallics","2017","36","4","935","","10.1021/acs.organomet.7b00030","","x-ray","1.54184","CuKα","","0.0187","0.0183","","","0.0482","0.0485","","","","","","1.036","","","","has coordinates,has disorder","193611","2020-10-21","18:00:00",""
"4087056","8.8092","0.0007","22.8273","0.0019","15.6744","0.0013","90","","105.69","0.003","90","","3034.5","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(((N-methyl)phenylimidoyl)diphenylphosphanyl) (pentamethyl- cyclopentadienyl) Rhodium(III) dichloride","","- C31 H35 Cl4 N P Rh -","- C31 H35 Cl4 N P Rh -","- C124 H140 Cl16 N4 P4 Rh4 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","0.71073","MoKα","","0.0264","0.022","","","0.049","0.0508","","","","","","1.083","","","","has coordinates","194866","2020-10-21","18:00:00",""
"4087057","8.9362","0.0001","23.6047","0.0003","16.091","0.0002","90","","104.98","0.001","90","","3278.83","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((N-methyl)phenylimidoyl)di(3-methylphenyl)phosphanyl)- (pentamethylcyclopentadienyl) Rhodium(III) dichloride","","- C33 H39 Cl4 N P Rh -","- C33 H39 Cl4 N P Rh -","- C132 H156 Cl16 N4 P4 Rh4 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","1.54178","CuKα","","0.037","0.0337","","","0.0818","0.0839","","","","","","1.022","","","","has coordinates","194866","2020-10-21","18:00:00",""
"4087058","14.4195","0.0003","14.5992","0.0003","15.1828","0.0003","90","","90","","90","","3196.18","0.11","120","2","120","2","","","","","","","","9","P n a 21","P 2c -2n","33","","Chloro (((N-methyl)phenylimidoyl)diphenylphosphanyl)(pentamethyl- cyclopentadienyl) Rhodium(III) trifluoromethylsulfonate","","- C31 H33 Cl F3 N O3 P Rh S -","- C31 H33 Cl F3 N O3 P Rh S -","- C124 H132 Cl4 F12 N4 O12 P4 Rh4 S4 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","0.71073","MoKα","","0.039","0.036","","","0.0939","0.0966","","","","","","1.029","","","","has coordinates,has disorder","194866","2020-10-21","18:00:00",""
"4087059","11.734","0.0002","41.0647","0.0006","9.959","0.0001","90","","91.496","0.001","90","","4797.14","0.12","120","2","120","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","(((N-methyl)phenylimidoyl)diphenylphospanyl)(pentamethylcyclopentadienyl) Rhodium(III) trifluorosulfonate tris(trifluorosulfonate) di-silver(I) dichloromethane solvate","","- C35 H35 Ag2 Cl2 F12 N O12 P Rh S4 -","- C35 H35 Ag2 Cl2 F12 N O12 P Rh S4 -","- C140 H140 Ag8 Cl8 F48 N4 O48 P4 Rh4 S16 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","0.71073","MoKα","","0.0344","0.0302","","","0.064","0.0652","","","","","","1.171","","","","has coordinates,has disorder","194866","2020-10-21","18:00:00",""
"4087060","9.665","0.005","9.665","0.005","23.059","0.005","90","0.005","90","0.005","90","0.005","2154","1.6","291","2","291","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C124 H88 N8 -","4","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0352","0.0345","","","0.0949","0.0959","","","","","","1.1","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087061","8.6697","0.0001","9.9822","0.0001","27.1306","0.0004","90","","90","","90","","2347.95","0.05","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H18 F6 N2 O -","- C31 H18 F6 N2 O -","- C124 H72 F24 N8 O4 -","4","1","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0663","0.0646","","","0.1801","0.1824","","","","","","1.061","","","","has coordinates,has disorder","192256","2020-10-21","18:00:00",""
"4087062","15.0428","0.0003","19.654","0.0004","15.1897","0.0003","90","","90","","90","","4490.85","0.16","291","2","291","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H36 Cl2 N2 O4 Pd2 -","- C48 H36 Cl2 N2 O4 Pd2 -","- C192 H144 Cl8 N8 O16 Pd8 -","4","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0426","0.0416","","","0.1106","0.1123","","","","","","1.056","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087063","20.0491","0.0004","17.2073","0.0004","8.4156","0.0002","90","","90","","90","","2903.31","0.11","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C68 H68 Cl2 Ir2 N2 O5 -","- C68 H68 Cl2 Ir2 N2 O5 -","- C136 H136 Cl4 Ir4 N4 O10 -","2","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","0.71073","MoKα","","0.0323","0.0276","","","0.0543","0.0559","","","","","","1.003","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087064","8.2116","0.0001","12.233","0.0002","48.3221","0.0006","90","","94.308","0.001","90","","4840.36","0.12","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl Ge N3 O0.5 -","- C25 H32 Cl Ge N3 O0.5 -","- C200 H256 Cl8 Ge8 N24 O4 -","8","2","","Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt","Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00925","","","0.71073","MoKα","","0.0616","0.0481","","","0.1134","0.1193","","","","","","1.087","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4087065","8.274","0.0004","12.232","0.0006","49.393","0.002","90","","94.804","0.001","90","","4981.4","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 Cl2 N6 O Sn2 -","- C50 H56 Cl2 N6 O Sn2 -","- C200 H224 Cl8 N24 O4 Sn8 -","4","1","","Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt","Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00925","","","0.71073","MoKα","","0.0771","0.0485","","","0.1022","0.1113","","","","","","1.105","","","","has coordinates,has disorder","192426","2020-10-21","18:00:00",""
"4087066","13.0226","0.0004","15.0573","0.0005","14.4071","0.0005","90","","96.067","0.001","90","","2809.2","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Ge N3 O -","- C30 H40 Ge N3 O -","- C120 H160 Ge4 N12 O4 -","4","1","","Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt","Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes","Organometallics","2017","","","","","10.1021/acs.organomet.6b00925","","","0.71073","MoKα","","0.0311","0.0247","","","0.0563","0.0592","","","","","","1.04","","","","has coordinates","192426","2020-10-21","18:00:00",""
"4087067","11.1891","0.0008","15.6168","0.0011","14.386","0.001","90","","109.252","0.002","90","","2373.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl3 F4 Ir N2 -","- C22 H24 Cl3 F4 Ir N2 -","- C88 H96 Cl12 F16 Ir4 N8 -","4","1","","Thomas, Hayden P.; Wang, Yue-Ming; Lorenzini, Fabio; Coles, Simon J.; Horton, Peter N.; Marr, Andrew C.; Saunders, Graham C.","Cyclometalation via Carbon‒Fluorine Bond Activation Induced by Silver Particles","Organometallics","2017","","","","","10.1021/acs.organomet.6b00872","","","0.71075","MoKα","K-L~2,3~","0.0773","0.0503","","","0.1001","0.1059","","","","","","0.857","","","","has coordinates,has disorder","192664","2020-10-21","18:00:00",""
"4087068","8.0115","0.0016","15.292","0.003","17.322","0.004","90","","102.42","0.03","90","","2072.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O5 Ru2 -","- C24 H17 N O5 Ru2 -","- C96 H68 N4 O20 Ru8 -","4","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.0446","0.0321","","","0.0671","0.0727","","","","","","1.018","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087069","13.9658","0.0003","9.8578","0.0002","17.6649","0.0003","90","","106.671","0.002","90","","2329.74","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O4 Ru2 S -","- C24 H19 N O4 Ru2 S -","- C96 H76 N4 O16 Ru8 S4 -","4","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.0347","0.0263","","","0.0554","0.0603","","","","","","1.103","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087070","8.587","0.0004","10.6283","0.0005","13.9652","0.0007","109.174","0.004","101.89","0.004","91.156","0.004","1172.67","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N O5 Ru2 -","- C25 H19 N O5 Ru2 -","- C50 H38 N2 O10 Ru4 -","2","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.0431","0.0307","","","0.0625","0.0702","","","","","","1.039","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087071","15.946","0.003","16.474","0.003","15.387","0.003","90","","90","","90","","4042.1","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H13 N O5 Ru2 -","- C21 H13 N O5 Ru2 -","- C168 H104 N8 O40 Ru16 -","8","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa","Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00021","","","0.71073","MoKα","","0.033","0.0282","","","0.0694","0.073","","","","","","1.088","","","","has coordinates","192665","2020-10-21","18:00:00",""
"4087072","11.6212","0.0004","13.6394","0.0005","20.6096","0.0007","90","","98.398","0.001","90","","3231.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 F6 N4 O6 S2 -","- C28 H36 F6 N4 O6 S2 -","- C112 H144 F24 N16 O24 S8 -","4","1","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0376","0.036","","","0.0993","0.1011","","","","","","1.007","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087073","14.0247","0.0005","16.3921","0.0008","18.344","0.0009","93.329","0.002","97.609","0.001","113.877","0.001","3793.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H44 Cl F3 N3 O3 Rh S -","- C33 H44 Cl F3 N3 O3 Rh S -","- C132 H176 Cl4 F12 N12 O12 Rh4 S4 -","4","2","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0508","0.0434","","","0.0996","0.1037","","","","","","1.128","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087074","8.5328","0.0006","38.791","0.003","20.4057","0.0014","90","","97.938","0.002","90","","6689.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Cl2 F3 N5 O3 Pd S -","- C29 H38 Cl2 F3 N5 O3 Pd S -","- C232 H304 Cl16 F24 N40 O24 Pd8 S8 -","8","2","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0541","0.0365","","","0.0825","0.0919","","","","","","1.404","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087075","16.9155","0.0002","20.1515","0.0002","37.476","0.0004","90","","93.699","0.001","90","","12747.9","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H70 Ag F9 N8 O9 S3 -","- C55 H70 Ag F9 N8 O9 S3 -","- C440 H560 Ag8 F72 N64 O72 S24 -","8","1","","Ruamps, Mirko; Lugan, Noël; César, Vincent","A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety","Organometallics","2017","36","5","1049","","10.1021/acs.organomet.7b00017","","x-ray","0.71073","MoKα","","0.0498","0.049","","","0.1149","0.1153","","","","","","1.16","","","","has coordinates","194864","2020-10-21","18:00:00",""
"4087076","17.1204","0.0003","10.6306","0.0002","30.004","0.0006","90","","90","","90","","5460.73","0.18","133","2","133","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C32.5 H33 N5 -","- C32.5 H33 N5 -","- C260 H264 N40 -","8","2","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0618","0.0508","","","0.1046","0.1106","","","","","","1.105","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087077","20.3225","0.0006","15.7849","0.0005","24.0166","0.0007","90","","110.368","0.001","90","","7222.6","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H94 Ca I2 N10 O4.5 -","- C76 H94 Ca I2 N10 O4.5 -","- C304 H376 Ca4 I8 N40 O18 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0671","0.052","","","0.1086","0.1162","","","","","","1.143","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087078","10.9346","0.0002","15.5692","0.0003","20.4237","0.0004","90","","101.671","0.001","90","","3405.11","0.11","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Ca I2 N5 O -","- C33 H37 Ca I2 N5 O -","- C132 H148 Ca4 I8 N20 O4 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0473","0.0359","","","0.0719","0.0759","","","","","","1.153","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087079","17.0402","0.0003","17.9185","0.0003","23.3967","0.0005","90","","105.668","0.001","90","","6878.4","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Ca I2 N5 O -","- C33 H37 Ca I2 N5 O -","- C264 H296 Ca8 I16 N40 O8 -","8","2","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0815","0.0701","","","0.1561","0.1624","","","","","","1.188","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087080","16.3156","0.0002","15.5855","0.0002","25.9692","0.0004","90","","105.676","0.001","90","","6358","0.15","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H81 Al Ca I N5 O4 -","- C69 H81 Al Ca I N5 O4 -","- C276 H324 Al4 Ca4 I4 N20 O16 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0563","0.0444","","","0.084","0.0889","","","","","","1.12","","","","has coordinates,has disorder","194865","2020-10-21","18:00:00",""
"4087081","13.7801","0.0004","9.4247","0.0003","33.0995","0.0009","90","","101.391","0.001","90","","4214.1","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H53 I2 N5 O3 Sr -","- C41 H53 I2 N5 O3 Sr -","- C164 H212 I8 N20 O12 Sr4 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0383","0.0319","","","0.0685","0.0714","","","","","","1.111","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087082","13.785","0.0002","9.523","0.0002","33.311","0.0005","90","","101.374","0.001","90","","4287.01","0.13","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H53 Ba I2 N5 O3 -","- C41 H53 Ba I2 N5 O3 -","- C164 H212 Ba4 I8 N20 O12 -","4","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0447","0.0389","","","0.104","0.1089","","","","","","1.085","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087083","9.3127","0.0003","17.8101","0.0007","18.574","0.0006","90","","90","","90","","3080.69","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co2 N2 O4 P2 -","- C30 H34 Co2 N2 O4 P2 -","- C120 H136 Co8 N8 O16 P8 -","4","1","","Garçon, Martí; Cabré, Albert; Verdaguer, Xavier; Riera, Antoni","Synthesis, Coordination Study, and Catalytic Pauson‒Khand Reactions of QuinoxP*(CO)4-μ-Alkyne Dicobalt Complexes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00018","","","0.71073","MoKα","","0.045","0.035","","","0.0652","0.0688","","","","","","1.021","","","","has coordinates","192808","2020-10-21","18:00:00",""
"4087084","8.5383","0.0002","12.31","0.0003","13.804","0.0004","100.745","0.001","101.927","0.001","93.806","0.001","1386.35","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","1 [Cp(star)IrCl(NHC(Me)-py(OtBu))]OTf","","","- C24 H32 Cl F3 Ir N3 O4 S -","- C24 H32 Cl F3 Ir N3 O4 S -","- C48 H64 Cl2 F6 Ir2 N6 O8 S2 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0224","0.0191","","","0.0431","0.044","","","","","","1.038","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087085","7.1356","0.0002","15.6052","0.0004","21.4625","0.0005","90","","93.488","0.001","90","","2385.48","0.11","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","2 [Cp(star)IrCl(NHC(Me)-py(OH))]OTf","","","- C20 H24 Cl F3 Ir N3 O4 S -","- C20 H24 Cl F3 Ir N3 O4 S -","- C80 H96 Cl4 F12 Ir4 N12 O16 S4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0368","0.0305","","","0.0573","0.0587","","","","","","1.24","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087086","7.3609","0.0003","15.3328","0.0006","22.355","0.0009","90","","97.709","0.002","90","","2500.25","0.17","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3 [Cp(star)IrCl(NHC(Me)-py(OMe))]OTf","","","- C21 H26 Cl F3 Ir N3 O4 S -","- C21 H26 Cl F3 Ir N3 O4 S -","- C84 H104 Cl4 F12 Ir4 N12 O16 S4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0564","0.0464","","","0.087","0.0894","","","","","","1.28","","","","has coordinates,has disorder","194870","2020-10-21","18:00:00",""
"4087087","7.9111","0.0005","8.4077","0.0004","17.5316","0.001","94.062","0.003","93.152","0.003","95.603","0.003","1155.36","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","3sp [Cp(star)IrCl(C11H11N3O)]Cl","","","- C21 H30 Cl2 Ir N3 O3 -","- C21 H26 Cl2 Ir N3 O3 -","- C42 H52 Cl4 Ir2 N6 O6 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0503","0.0476","","","0.1108","0.1117","","","","","","1.316","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087088","7.3686","0.0003","15.6037","0.0006","23.0349","0.0008","90","","98.661","0.002","90","","2618.29","0.17","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","5Ir [Cp(star)IrCl(66dmbp)]OTf","","","- C23 H27 Cl F3 Ir N2 O5 S -","- C23 H27 Cl F3 Ir N2 O5 S -","- C92 H108 Cl4 F12 Ir4 N8 O20 S4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0284","0.0226","","","0.0486","0.0501","","","","","","1.027","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087089","14.182","0.0003","14.0104","0.0003","14.2635","0.0003","90","","109.272","0.001","90","","2675.28","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5Ru [(p-cym)RuCl(6,6'-dmbp)]Cl","","","- C23.77 H34 Cl2 N2 O4.23 Ru -","- C23.773 H34 Cl2 N2 O4.227 Ru -","- C95.092 H136 Cl8 N8 O16.908 Ru4 -","4","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0469","0.0349","","","0.0688","0.0727","","","","","","1.073","","","","has coordinates,has disorder","194870","2020-10-21","18:00:00",""
"4087090","11.8359","0.0003","11.9882","0.0003","12.8751","0.0004","70.365","0.001","81.733","0.001","63.219","0.001","1536.01","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","6 [Ag(NHC(Me)-py(OtBu))2]OTf","","","- C27 H34 Ag F3 N6 O5 S -","- C27 H34 Ag F3 N6 O5 S -","- C54 H68 Ag2 F6 N12 O10 S2 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0347","0.0275","","","0.0671","0.0705","","","","","","1.025","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087091","7.2377","0.0002","12.3949","0.0004","14.7323","0.0005","72.946","0.001","77.672","0.001","77.664","0.001","1218.15","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","7 [Ag(NHC(Me)-py(OMe))2]OTf","","","- C21 H22 Ag F3 N6 O5 S -","- C21 H22 Ag F3 N6 O5 S -","- C42 H44 Ag2 F6 N12 O10 S2 -","2","1","","Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.","Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal","Organometallics","2017","36","6","1091","","10.1021/acs.organomet.6b00806","","","0.71073","MoKα","","0.0232","0.0216","","","0.0623","0.0636","","","","","","1.108","","","","has coordinates","194870","2020-10-21","18:00:00",""
"4087092","8.6572","0.0002","18.3541","0.0004","23.1244","0.0005","90","","90","","90","","3674.35","0.14","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N Ti -","- C47 H45 N Ti -","- C188 H180 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.1057","0.0465","","","0.081","0.098","","","","","","1.001","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087093","12.96","0.003","17.433","0.004","16.575","0.004","90","","91.599","0.014","90","","3743.4","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 N Ti -","- C48 H47 N Ti -","- C192 H188 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.1022","0.0447","","","0.1047","0.135","","","","","","1.003","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087094","13.342","0.0004","17.3146","0.0005","16.3202","0.0005","90","","90.3","0.001","90","","3770.1","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 N Ti -","- C49 H49 N Ti -","- C196 H196 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0611","0.0415","","","0.1111","0.1244","","","","","","1.053","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087095","10.9353","0.0005","15.3142","0.0007","20.2543","0.0008","90","","101.848","0.0013","90","","3319.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H49 N Ti -","- C43 H49 N Ti -","- C172 H196 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0674","0.0451","","","0.1042","0.1153","","","","","","1.033","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087096","17.3357","0.0008","9.7814","0.0004","22.3677","0.001","90","","101.158","0.0014","90","","3721.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H59 N Ti -","- C49 H59 N Ti -","- C196 H236 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0723","0.0435","","","0.0918","0.1033","","","","","","1.042","","","","has coordinates,has disorder","193330","2020-10-21","18:00:00",""
"4087097","12.7939","0.0007","16.5637","0.0009","13.3367","0.0007","90","","102.783","0.0016","90","","2756.2","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Ti2 -","- C76 H86 Ti2 -","- C152 H172 Ti4 -","2","0.5","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0513","0.0378","","","0.0937","0.1013","","","","","","1.082","","","","has coordinates,has disorder","193330","2020-10-21","18:00:00",""
"4087098","11.8512","0.001","20.3693","0.0018","12.3394","0.0011","90","","101.05","0.0018","90","","2923.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H103 N O2 Si Ti -","- C66 H103 N O2 Si Ti -","- C132 H206 N2 O4 Si2 Ti2 -","2","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.0395","0.0347","","","0.0875","0.0899","","","","","","1.084","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087099","10.9266","0.0013","14.4884","0.0018","22.065","0.003","72.626","0.002","78.681","0.002","85.724","0.002","3268.4","0.7","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","PdBr(m-Xyl)(CNArDipp2)2","","","- C72 H88 Br N2 O0.5 Pd -","- C70 H83 Br N2 Pd -","- C140 H166 Br2 N4 Pd2 -","2","1","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0627","0.0423","","","0.1082","0.1466","","","","","","1.027","","","","has coordinates","193331","2020-10-21","18:00:00",""
"4087100","22.184","0.006","18.952","0.005","16.253","0.005","90","","105.03","0.003","90","","6600","3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PdCl(allyl)(CNArDipp2)","","","- C36 H46 Cl N O0.5 Pd -","- C36 H46 Cl N O0.5 Pd -","- C288 H368 Cl8 N8 O4 Pd8 -","8","2","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0553","0.0378","","","0.0834","0.0972","","","","","","1.046","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087101","19.5686","0.0013","16.9767","0.0011","19.6154","0.0013","90","","92.885","0.001","90","","6508.2","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(CNArDipp2)Pd]2(u-allyl)(u-LDA)","","","- C71 H93 N3 Pd2 -","- C71 H93 N3 Pd2 -","- C284 H372 N12 Pd8 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0872","0.0469","","","0.0873","0.1022","","","","","","1.013","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087102","8.534","0.003","11.03","0.004","16.148","0.005","75.637","0.004","84.351","0.005","85.307","0.004","1462.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[(CNArDipp2)Pd]2(u-Cl)(u-C3H5)","","","- C65 H79 Cl N2 Pd2 -","- C65 H79 Cl N2 Pd2 -","- C65 H79 Cl N2 Pd2 -","1","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0399","0.0334","","","0.0762","0.0809","","","","","","1.033","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087103","9.3164","0.001","12.2291","0.0013","16.0753","0.0017","107.346","0.003","92.444","0.003","105.882","0.003","1666","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(CNArDipp2)Pd]2(u-allyl)(u-OtBu)","","","- C75 H93 F N2 O Pd2 -","- C75 H93 F N2 O Pd2 -","- C75 H93 F N2 O Pd2 -","1","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.0684","0.0604","","","0.1886","0.195","","","","","","1.023","","","","has coordinates,has disorder","193331","2020-10-21","18:00:00",""
"4087104","18.1967","0.0005","18.1967","0.0005","45.5371","0.0016","90","","90","","120","","13058.1","0.7","120","2","120","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Pd3(eta2-Dipp-u-CNArDipp2)3","","","- C145 H215 N3 O13 Pd3 -","- C93 H111 N3 Pd3 -","- C372 H444 N12 Pd12 -","4","0.333333","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","x-ray","1.54184","CuKα","","0.0636","0.0574","","","0.137","0.1413","","","","","","1.219","","","","has coordinates","193331","2020-10-21","18:00:00",""
"4087105","15.618","0.008","16.161","0.008","20.549","0.01","80.016","0.007","84.921","0.007","65.649","0.006","4653","4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","Pd3(u-CO)3(CNArDipp2)3","","","- C100 H121 N3 O4 Pd3 -","- C100 H121 N3 O4 Pd3 -","- C200 H242 N6 O8 Pd6 -","2","1","","Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates","Organometallics","2017","36","4","944","","10.1021/acs.organomet.7b00035","","","0.71073","MoKα","","0.1227","0.0496","","","0.07","0.0881","","","","","","0.754","","","","has coordinates","193331","2020-10-21","18:00:00",""
"4087106","14.7874","0.0007","8.9216","0.0004","31.0087","0.0014","90","","102.604","0.001","90","","3992.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B9 Ir S -","- C14 H32 B9 Ir S -","- C112 H256 B72 Ir8 S8 -","8","2","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0749","0.0548","","","0.1077","0.1156","","","","","","1.236","","","","has coordinates","193332","2020-10-21","18:00:00",""
"4087107","9.3844","0.0014","10.7779","0.0017","14.414","0.002","90","","108.81","0.003","90","","1380","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 B9 S Tl -","- C6 H20 B9 S Tl -","- C24 H80 B36 S4 Tl4 -","4","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0416","0.0308","","","0.0663","0.0706","","","","","","1.03","","","","has coordinates","193333","2020-10-21","18:00:00",""
"4087108","12.293","0.008","21.76","0.015","14.789","0.01","90","","106.141","0.012","90","","3800","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 N S Si2 U -","- C37 H53 N S Si2 U -","- C148 H212 N4 S4 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0727","0.052","","","0.122","0.134","","","","","","0.988","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087109","14.921","0.013","15.613","0.014","19.435","0.018","90","","106.68","0.016","90","","4337","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H70 N2 Si2 U -","- C43 H70 N2 Si2 U -","- C172 H280 N8 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.1087","0.0603","","","0.1467","0.1795","","","","","","0.955","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087110","12.006","0.009","16.997","0.013","18.691","0.014","103.281","0.012","92.099","0.013","100.821","0.013","3633","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 N2 Si2 U -","- C37 H58 N2 Si2 U -","- C148 H232 N8 Si8 U4 -","4","2","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0944","0.0717","","","0.1867","0.2057","","","","","","0.984","","","","has coordinates,has disorder","193334","2020-10-21","18:00:00",""
"4087111","10.176","0.009","11.81","0.011","16.215","0.015","73.77","0.018","89.12","0.017","76.105","0.017","1813","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 N Si2 U -","- C39 H55 N Si2 U -","- C78 H110 N2 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.097","0.0815","","","0.2038","0.2171","","","","","","1.005","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087112","23.144","0.013","9.884","0.005","24.028","0.013","90","","116.312","0.01","90","","4927","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 Cl2 O2 Si2 U -","- C44 H58 Cl2 O2 Si2 U -","- C176 H232 Cl8 O8 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0839","0.0454","","","0.0957","0.1114","","","","","","0.965","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087113","44.46","0.04","9.952","0.01","24.4","0.02","90","","93.07","0.03","90","","10781","17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H71 O2 Si2 U -","- C59 H71 O2 Si2 U -","- C472 H568 O16 Si16 U8 -","8","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0886","0.0558","","","0.1242","0.1376","","","","","","0.978","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087114","9.93","0.011","12.459","0.014","18.97","0.02","91.42","0.02","92.36","0.02","107.882","0.018","2230","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O2 Si2 U -","- C46 H64 O2 Si2 U -","- C92 H128 O4 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.1017","0.0804","","","0.1985","0.2114","","","","","","1.012","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087115","11.655","0.014","13.036","0.015","17.29","0.02","101.615","0.019","96.49","0.02","116.24","0.018","2246","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H75 O2 Si2 U -","- C45 H75 O2 Si2 U -","- C90 H150 O4 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0668","0.0598","","","0.1575","0.1628","","","","","","1","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087116","12.06","0.008","13.003","0.008","15.96","0.01","84.902","0.009","85.708","0.009","62.997","0.009","2219","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 O2 Si2 U -","- C48 H64 O2 Si2 U -","- C96 H128 O4 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0679","0.0472","","","0.0983","0.107","","","","","","1.002","","","","has coordinates,has disorder","193334","2020-10-21","18:00:00",""
"4087117","16.878","0.007","18.501","0.009","13.35","0.006","90","","96.2","0.009","90","","4144","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 N2 Si2 U -","- C44 H58 N2 Si2 U -","- C176 H232 N8 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0737","0.0425","","","0.0734","0.0824","","","","","","0.94","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087118","14.365","0.006","12.147","0.006","21.309","0.01","90","","91.984","0.011","90","","3716","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 N Si3 U -","- C33 H57 N Si3 U -","- C132 H228 N4 Si12 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.0772","0.0623","","","0.1568","0.1747","","","","","","1","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087119","44.48","0.02","10.089","0.005","24.39","0.013","90","","92.524","0.009","90","","10935","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H71 O2 Si2 Th -","- C59 H71 O2 Si2 Th -","- C472 H568 O16 Si16 Th8 -","8","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Experimental and Computational Studies of a Uranium Metallacyclocumulene","Organometallics","2017","36","4","898","","10.1021/acs.organomet.6b00936","","","0.71073","MoKα","","0.1038","0.0763","","","0.1823","0.1979","","","","","","1.049","","","","has coordinates","193334","2020-10-21","18:00:00",""
"4087120","11.0398","0.001","12.004","0.001","26.202","0.002","90","","93.087","0.004","90","","3467.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H70 F14 N4 O6 S4 -","- C69 H70 F14 N4 O6 S4 -","- C138 H140 F28 N8 O12 S8 -","2","0.5","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1103","0.0707","","","0.1964","0.2268","","","","","","1.022","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087121","8.2558","0.0002","14.4009","0.0003","28.6123","0.0006","90","","90.506","0.001","90","","3401.61","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 F8 N4 O3 S -","- C29 H32 F8 N4 O3 S -","- C116 H128 F32 N16 O12 S4 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.0835","0.0539","","","0.1466","0.1649","","","","","","1.039","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087122","8.2473","0.0009","14.5433","0.0015","28.32","0.003","90","","90.445","0.005","90","","3396.7","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 F6 N4 O4 S -","- C29 H32 F6 N4 O4 S -","- C116 H128 F24 N16 O16 S4 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1499","0.1102","","","0.3035","0.3305","","","","","","1.206","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087123","8.4965","0.0003","19.0343","0.0008","15.7697","0.0006","90","","100.069","0.002","90","","2511.07","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H32 Cl F N2 -","- C28.5 H32 Cl F N2 -","- C114 H128 Cl4 F4 N8 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1043","0.0612","","","0.1465","0.169","","","","","","1.012","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087124","13.4991","0.0005","20.9929","0.0009","13.2242","0.0005","90","","118.356","0.001","90","","3297.9","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F7 Mn N2 O8 S -","- C30 H26 F7 Mn N2 O8 S -","- C120 H104 F28 Mn4 N8 O32 S4 -","4","1","","Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom","Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.","Organometallics","2017","36","4","849","857","10.1021/acs.organomet.6b00908","","","0.71073","MoKα","","0.1175","0.075","","","0.1323","0.1465","","","","","","1.124","","","","has coordinates,has disorder","198423","2020-10-21","18:00:00",""
"4087125","13.0591","0.0009","15.114","0.0009","15.2086","0.0011","90","","113.09","0.009","90","","2761.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Cl Ir O2 P2 -","- C22 H44 Cl Ir O2 P2 -","- C88 H176 Cl4 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.2713","0.1331","","","0.2001","0.2557","","","","","","1.076","","","","has coordinates","193336","2020-10-21","18:00:00",""
"4087126","8.5436","0.0007","12.3433","0.0012","13.7184","0.0013","99.093","0.008","97.272","0.007","105.544","0.008","1354.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Cl Ir O2 P2 -","- C22 H45 Cl Ir O2 P2 -","- C44 H90 Cl2 Ir2 O4 P4 -","2","1","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.0587","0.0441","","","0.098","0.1105","","","","","","1.063","","","","has coordinates,has disorder","193336","2020-10-21","18:00:00",""
"4087127","8.4879","0.0006","12.2912","0.0006","13.6594","0.0008","99.397","0.005","96.601","0.005","105.6","0.005","1335.07","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Cl Ir O2 P2 -","- C22 H45 Cl Ir O2 P2 -","- C44 H90 Cl2 Ir2 O4 P4 -","2","1","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.0673","0.0519","","","0.1172","0.1259","","","","","","1.066","","","","has coordinates,has disorder","193336","2020-10-21","18:00:00",""
"4087128","12.0322","0.0003","16.8416","0.0005","18.8384","0.0005","71.437","0.002","85.787","0.002","76.908","0.002","3524.77","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H57 Cl2 Ir2 O2 P2 -","- C30 H57 Cl2 Ir2 O2 P2 -","- C120 H228 Cl8 Ir8 O8 P8 -","4","2","","Polukeev, Alexey V.; Wendt, Ola F.","Cyclohexane-Based Phosphinite Iridium Pincer Complexes: Synthesis, Characterization, Carbene Formation, and Catalytic Activity in Dehydrogenation Reactions","Organometallics","2017","36","3","639","","10.1021/acs.organomet.6b00846","","","0.71073","MoKα","","0.0513","0.0339","","","0.0636","0.0696","","","","","","1.077","","","","has coordinates","193336","2020-10-21","18:00:00",""
"4087129","6.316","0.0018","10.023","0.003","15.378","0.005","70.431","0.009","81.29","0.012","80.513","0.013","899.9","0.5","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H42 Si4 -","- C36 H42 Si4 -","- C36 H42 Si4 -","1","0.5","","Xu, Feng; Nishida, Takanori; Shinohara, Kenta; Peng, Lifen; Takezaki, Makoto; Kamada, Takahiro; Akashi, Haruo; Nakamura, Hiromu; Sugiyama, Kouki; Ohta, Kazuchika; Orita, Akihiro; Otera, Junzo","Trimethylsilyl Group Assisted Stimuli Response: Self-Assembly of 1,3,6,8-Tetrakis((trimethysilyl)ethynyl)pyrene","Organometallics","2017","36","3","556","","10.1021/acs.organomet.6b00781","","","0.71075","MoKα","","","0.0545","","","","0.1218","","","","","","1.098","","","","has coordinates","193337","2020-10-21","18:00:00",""
"4087130","13.5441","0.0003","16.7176","0.0005","17.3618","0.0004","90","","92.952","0.008","90","","3925.93","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Cl Li N3 O2 U -","- C40 H61 Cl Li N3 O2 U -","- C160 H244 Cl4 Li4 N12 O8 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0855","0.0545","","","0.1278","0.1483","","","","","","1.022","","","","has coordinates","193338","2020-10-21","18:00:00",""
"4087131","13.4818","0.0002","11.9095","0.0002","29.3157","0.0005","90","","93.3236","0.0006","90","","4699.06","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Cl2 N3 O3 P U -","- C48 H62 Cl2 N3 O3 P U -","- C192 H248 Cl8 N12 O12 P4 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","0.71073","MoKα","","0.0524","0.0343","","","0.0764","0.0823","","","","","","1.026","","","","has coordinates,has disorder","193339","2020-10-21","18:00:00",""
"4087132","33.798","0.005","11.1121","0.0015","18.32","0.003","90","","90","","90","","6880.4","1.8","113","","113","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73 H62 Cl2 Fe2 Ni2 O6 P4 S4 -","- C73 H62 Cl2 Fe2 Ni2 O6 P4 S4 -","- C292 H248 Cl8 Fe8 Ni8 O24 P16 S16 -","4","0.5","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.053","0.0462","","","0.0995","0.1024","","","","","","1.161","","","","has coordinates","193340","2020-10-21","18:00:00",""
"4087133","33.928","0.008","11.157","0.003","18.479","0.004","90","","90","","90","","6995","3","113","","113","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73 H62 Cl2 Fe2 Ni2 O6 P4 Se4 -","- C73 H62 Cl2 Fe2 Ni2 O6 P4 Se4 -","- C292 H248 Cl8 Fe8 Ni8 O24 P16 Se16 -","4","0.5","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0419","0.034","","","0.073","0.0761","","","","","","1.017","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087134","15.146","0.004","10.181","0.002","25.035","0.006","90","","90.594","0.003","90","","3860.2","1.6","113","2","113","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 B Cl2 F4 Fe Ni O3 P2 S2 -","- C37 H33 B Cl2 F4 Fe Ni O3 P2 S2 -","- C148 H132 B4 Cl8 F16 Fe4 Ni4 O12 P8 S8 -","4","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0591","0.045","","","0.1037","0.1162","","","","","","1.039","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087135","29.86","0.006","10.717","0.002","26.157","0.005","90","","90.29","0.03","90","","8370","3","293.15","","293.15","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 B Cl3 F4 Fe Ni O3 P2 Se2 -","- C37 H32 B Cl3 F4 Fe Ni O3 P2 Se2 -","- C296 H256 B8 Cl24 F32 Fe8 Ni8 O24 P16 Se16 -","8","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0787","0.0528","","","0.12","0.1338","","","","","","1.058","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087136","15.1372","0.0003","10.1875","0.0002","24.8639","0.0006","90","","90.59","0.002","90","","3834.06","0.14","100","0.1","100","0.1","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 S2 -","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 S2 -","- C148 H128 B4 Cl8 D4 F16 Fe4 Ni4 O12 P8 S8 -","4","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","x-ray","1.54184","CuKα","","0.0671","0.0534","","","0.1373","0.1483","","","","","","1.02","","","","has coordinates,has disorder","193340","2020-10-21","18:00:00",""
"4087137","15.072","0.005","10.353","0.003","25.09","0.006","90","","91.039","0.008","90","","3914","2","113","","113","","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 Se2 -","- C37 H32 B Cl2 D F4 Fe Ni O3 P2 Se2 -","- C148 H128 B4 Cl8 D4 F16 Fe4 Ni4 O12 P8 Se8 -","4","1","","Song, Li-Cheng; Lu, Yu; Zhu, Liang; Li, Qian-Li","Dithiolato- and Diselenolato-Bridged Nickel‒Iron Biomimetics for the Active Site of [NiFe]Hydrogenases","Organometallics","2017","36","3","750","","10.1021/acs.organomet.6b00942","","","0.71073","MoKα","","0.0317","0.0257","","","0.0651","0.0671","","","","","","1.029","","","","has coordinates","193340","2020-10-21","18:00:00",""
"4087138","27.4912","0.0006","12.6235","0.0003","11.0362","0.0002","90","","90","","90","","3829.95","0.14","173","2","173","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C22 H20 N2 Si -","- C22 H20 N2 Si -","- C176 H160 N16 Si8 -","8","1","","Lei, Hu; Aly, Shawkat M.; Karsenti, Paul-Ludovic; Fortin, Daniel; Harvey, Pierre D.","Luminescent Organometallic Complexes Built upon the Nonemissive Azophenine","Organometallics","2017","36","3","572","","10.1021/acs.organomet.6b00789","","x-ray","1.54178","CuKα","","0.1439","0.0772","","","0.1975","0.2405","","","","","","1.045","","","","has coordinates","193341","2020-10-21","18:00:00",""
"4087139","44.4373","0.0008","9.1907","0.0002","12.5395","0.0002","90","","100.535","0.001","90","","5034.93","0.16","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 Si -","- C28 H32 N2 Si -","- C224 H256 N16 Si8 -","8","1","","Lei, Hu; Aly, Shawkat M.; Karsenti, Paul-Ludovic; Fortin, Daniel; Harvey, Pierre D.","Luminescent Organometallic Complexes Built upon the Nonemissive Azophenine","Organometallics","2017","36","3","572","","10.1021/acs.organomet.6b00789","","x-ray","1.54178","CuKα","","0.0541","0.0484","","","0.1277","0.1322","","","","","","0.978","","","","has coordinates","193342","2020-10-21","18:00:00",""
"4087140","8.6121","0.0007","12.2899","0.001","19.1871","0.0015","90","","90","","90","","2030.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl N P -","- C24 H23 Cl N P -","- C96 H92 Cl4 N4 P4 -","4","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0357","0.0312","","","0.0719","0.0742","","","","","","1.051","","","","has coordinates","193343","2020-10-21","18:00:00",""
"4087141","7.8586","0.0007","11.9229","0.0009","12.133","0.0016","78.522","0.009","78.721","0.006","78.902","0.005","1078.54","0.19","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 B N P -","- C25 H29 B N P -","- C50 H58 B2 N2 P2 -","2","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0482","0.0384","","","0.0962","0.1032","","","","","","1.031","","","","has coordinates","193343","2020-10-21","18:00:00",""
"4087142","10.0993","0.0011","14.0965","0.0015","19.409","0.002","103.571","0.003","97.882","0.003","97.018","0.003","2626.2","0.5","100","2","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C108 H126 Cl12 N3 P3 Ru3 -","- C108.003 H126.006 Cl12.006 N3 P3 Ru3 -","- C108.003 H126.006 Cl12.006 N3 P3 Ru3 -","1","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.039","0.0334","","","0.0814","0.0851","","","","","","1.032","","","","has coordinates,has disorder","193343","2020-10-21","18:00:00",""
"4087143","30.553","0.004","10.4072","0.0013","13.7519","0.0017","90","","90.62","0.003","90","","4372.5","1","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl2 N2 P2 Ru -","- C50 H52 Cl2 N2 P2 Ru -","- C200 H208 Cl8 N8 P8 Ru4 -","4","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0828","0.0479","","","0.0908","0.1043","","","","","","1.056","","","","has coordinates","193343","2020-10-21","18:00:00",""
"4087144","29.282","0.004","17.432","0.003","20.054","0.005","90","","131.445","0.001","90","","7673","3","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H41 Cl7 N P Ru2 -","- C36 H41 Cl7 N P Ru2 -","- C288 H328 Cl56 N8 P8 Ru16 -","8","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0634","0.0443","","","0.1143","0.1313","","","","","","1.081","","","","has coordinates,has disorder","193343","2020-10-21","18:00:00",""
"4087145","9.6978","0.0004","9.9274","0.0004","37.8896","0.0012","92.847","0.003","93.249","0.004","104.647","0.004","3515.8","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 Fe N -","- C40 H56 Fe N -","- C160 H224 Fe4 N4 -","4","2","","Zhurkin, Fedor E.; Wodrich, Matthew D.; Hu, Xile","A Monometallic Iron(I) Organoferrate","Organometallics","2017","36","3","499","","10.1021/acs.organomet.6b00841","","x-ray","1.54184","CuKα","","0.0643","0.0506","","","0.1341","0.1529","","","","","","1.047","","","","has coordinates,has disorder","193344","2020-10-21","18:00:00",""
"4087146","9.9849","0.0007","21.4059","0.0014","15.5615","0.001","90","","91.32","0.002","90","","3325.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl2 P2 Pt -","- C36 H46 Cl2 P2 Pt -","- C144 H184 Cl8 P8 Pt4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0466","0.0281","","","0.056","0.0602","","","","","","1.052","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087147","11.1678","0.0007","15.7553","0.0009","16.9878","0.001","88.891","0.002","73.797","0.002","80.222","0.002","2827.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cl2 P2 Pd -","- C30 H40 Cl2 P2 Pd -","- C120 H160 Cl8 P8 Pd4 -","4","2","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0426","0.0313","","","0.0756","0.0803","","","","","","1.069","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087148","10.4152","0.0016","17.115","0.003","17.993","0.003","69.156","0.004","89.994","0.004","80.636","0.004","2951.7","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 P2 Pt -","- C30 H40 P2 Pt -","- C120 H160 P8 Pt4 -","4","2","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.1138","0.0945","","","0.2311","0.2477","","","","","","1.017","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087149","14.9955","0.001","14.4043","0.0009","18.4309","0.0012","90","","103.379","0.001","90","","3873","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H54 P2 Pt -","- C45 H54 P2 Pt -","- C180 H216 P8 Pt4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0544","0.0315","","","0.0573","0.0634","","","","","","1.009","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087150","18.1059","0.0011","10.3894","0.0006","31.9405","0.0019","90","","100.576","0.0012","90","","5906.2","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H46 P2 Pd -","- C32.5 H46 P2 Pd -","- C260 H368 P16 Pd8 -","8","2","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0574","0.0385","","","0.0912","0.0977","","","","","","1.047","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4087151","12.1666","0.0003","12.6383","0.0003","25.2046","0.0006","90","","91.113","0.001","90","","3874.86","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H54 P2 Pd -","- C45 H54 P2 Pd -","- C180 H216 P8 Pd4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","1.54178","CuKα","","0.0272","0.025","","","0.0674","0.0689","","","","","","1.055","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087152","17.0851","0.0007","18.5952","0.0008","23.7353","0.0011","90","","90","","90","","7540.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H52 P2 Pt Si -","- C42 H52 P2 Pt Si -","- C336 H416 P16 Pt8 Si8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0729","0.0348","","","0.0606","0.0672","","","","","","1.017","","","","has coordinates,has disorder","193345","2020-10-21","18:00:00",""
"4087153","9.7476","0.0003","13.374","0.0005","17.3877","0.0006","72.906","0.001","83.919","0.001","81.841","0.001","2139.73","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H62.15 P2 Pd Si -","- C47 H62.152 P2 Pd Si -","- C94 H124.304 P4 Pd2 Si2 -","2","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0286","0.0256","","","0.0632","0.0643","","","","","","1.08","","","","has coordinates,has disorder","193345","2020-10-21","18:00:00",""
"4087154","23.0436","0.0016","23.0436","0.0016","13.4662","0.0012","90","","90","","90","","7150.7","0.9","120","2","120","2","","","","","","","","5","I -4","I -4","82","","","","- C30 H40 I P2 Pt -","- C30 H40 I P2 Pt -","- C240 H320 I8 P16 Pt8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0217","0.0178","","","0.0359","0.0379","","","","","","1.035","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087155","10.203","0.0009","14.0134","0.0013","20.8771","0.0019","90","","93.576","0.001","90","","2979.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 I P2 Pt -","- C31 H43 I P2 Pt -","- C124 H172 I4 P8 Pt4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0196","0.0157","","","0.0343","0.0351","","","","","","1.028","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087156","11.8727","0.0012","16.4005","0.0013","17.288","0.0013","90","","91.226","0.008","90","","3365.5","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Fe O P2 Si2 -","- C34 H42 Fe O P2 Si2 -","- C136 H168 Fe4 O4 P8 Si8 -","4","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0775","0.0543","","0.1221","0.0914","0.1221","","","","","","1.0288","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087157","11.8587","0.0005","11.8767","0.0004","13.4547","0.0005","76.85","0.003","74.749","0.003","69.161","0.004","1689.7","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Fe O P2 Si2 -","- C35 H44 Fe O P2 Si2 -","- C70 H88 Fe2 O2 P4 Si4 -","2","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0484","0.0387","","0.082","0.0729","0.0819","","","","","","0.9628","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087158","15.508","0.0003","9.75868","0.00012","15.9993","0.0003","90","","117.934","0.003","90","","2139.19","0.09","150","","150","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C14 H36 Fe O P2 Si2 -","- C14 H36 Fe O P2 Si2 -","- C56 H144 Fe4 O4 P8 Si8 -","4","0.5","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0332","0.0286","","0.0574","0.0546","0.0571","","","","","","1.1663","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087159","32.103","0.005","11.115","0.0007","17.793","0.003","90","","127.84","0.02","90","","5014","1.8","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H39 Fe N2 O P Si2 -","- C20 H39 Fe N2 O P Si2 -","- C160 H312 Fe8 N16 O8 P8 Si16 -","8","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0581","0.0486","","0.1424","0.1158","0.1424","","","","","","0.9737","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087160","11.2192","0.0003","14.5626","0.0004","17.5759","0.0003","70.958","0.002","81.77","0.002","89.191","0.002","2684.85","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 Fe N2 P4 -","- C64 H62 Fe N2 P4 -","- C128 H124 Fe2 N4 P8 -","2","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0638","0.0469","","0.1103","0.101","0.1103","","","","","","0.9872","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087161","23.275","0.003","10.8131","0.0012","17.896","0.002","90","","106.233","0.013","90","","4324.4","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe P4 -","- C54 H52 Fe P4 -","- C216 H208 Fe4 P16 -","4","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.13","0.0918","","0.2907","0.2506","0.2907","","","","","","0.9216","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087162","17.64","0.002","10.4497","0.0014","18.21","0.003","90","","106.861","0.017","90","","3212.4","0.8","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H43 Fe P3 -","- C35 H43 Fe P3 -","- C140 H172 Fe4 P12 -","4","1","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","1.54184","CuKα","","0.0808","0.0573","","0.1194","0.0995","0.1194","","","","","","0.966","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4087163","12.696","0.003","12.806","0.003","12.853","0.003","117.098","0.003","97.051","0.003","114.088","0.003","1571.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H29 F2 N2 O2 P2 -","- C38 H29 F2 N2 O2 P2 -","- C76 H58 F4 N4 O4 P4 -","2","1","","Basiouny, Miriam M. I.; Schmidt, Joseph A. R.","Lanthanum-Catalyzed Double Hydrophosphinylation of Nitriles","Organometallics","2017","36","3","721","","10.1021/acs.organomet.6b00919","","","0.71073","MoKα","","0.063","0.0455","","","0.1408","0.1538","","","","","","0.992","","","","has coordinates","193347","2020-10-21","18:00:00",""
"4087164","10.1189","0.00009","21.49866","0.00017","18.65685","0.00019","90","","103.925","0.001","90","","3939.38","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 Al N4 -","- C44 H55 Al N4 -","- C176 H220 Al4 N16 -","4","1","","Anker, Mathew D.; Colebatch, Annie L.; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.; García, Lucía; Hill, Michael S.; Liptrot, David J.; Mahon, Mary F.","Alane-Centered Ring Expansion of N-Heterocyclic Carbenes","Organometallics","2017","36","6","1173","","10.1021/acs.organomet.7b00056","","","1.54184","CuKα","","0.0524","0.0478","","","0.13","0.1354","","","","","","1.02","","","","has coordinates","194869","2020-10-21","18:00:00",""
"4087165","21.1542","0.0002","15.35141","0.00013","26.8601","0.0003","90","","102.81","0.001","90","","8505.62","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C44 H55 Al N4 -","- C44 H55 Al N4 -","- C352 H440 Al8 N32 -","8","2","","Anker, Mathew D.; Colebatch, Annie L.; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.; García, Lucía; Hill, Michael S.; Liptrot, David J.; Mahon, Mary F.","Alane-Centered Ring Expansion of N-Heterocyclic Carbenes","Organometallics","2017","36","6","1173","","10.1021/acs.organomet.7b00056","","","1.54184","CuKα","","0.0569","0.0459","","","0.1216","0.1287","","","","","","1.038","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4087166","11.5751","0.0001","11.5751","0.0001","34.248","0.0005","90","","90","","90","","4588.65","0.09","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C53 H24 B F20 N Zr -","- C53 H24 B F20 N Zr -","- C212 H96 B4 F80 N4 Zr4 -","4","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0343","0.0338","","","0.081","0.0814","","","","","","1.069","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087167","14.7014","0.0007","20.2371","0.0015","7.7474","0.0004","90","","104.29","0.004","90","","2233.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cl N Zr -","- C29 H24 Cl N Zr -","- C116 H96 Cl4 N4 Zr4 -","4","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0422","0.037","","","0.0937","0.0976","","","","","","1.014","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087168","7.5793","0.0005","20.7341","0.0011","12.3247","0.0005","90","","94.596","0.004","90","","1930.6","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 B Cl N -","- C25 H19 B Cl N -","- C100 H76 B4 Cl4 N4 -","4","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0671","0.0478","","","0.1164","0.1269","","","","","","1.053","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087169","10.09","0.0003","15.486","0.0004","18.2577","0.0005","75.063","0.002","80.627","0.002","89.752","0.002","2717.51","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H38 B2 F12 N4 O8 S4 -","- C54 H38 B2 F12 N4 O8 S4 -","- C108 H76 B4 F24 N8 O16 S8 -","2","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.1091","0.0812","","","0.2189","0.2509","","","","","","1.001","","","","has coordinates,has disorder","194105","2020-10-21","18:00:00",""
"4087170","19.31","0.02","17.619","0.014","24.71","0.02","90","","90","","90","","8407","13","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.33 H73.33 B1.33 K1.33 N4 O8 -","- C57.3333 H73.3333 B1.33333 K1.33333 N4 O8 -","- C344 H440 B8 K8 N24 O48 -","6","0.75","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0786","0.0612","","","0.1614","0.1776","","","","","","1.027","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087171","12.6013","0.0002","14.2473","0.0002","15.7688","0.0002","63.993","0.001","86.318","0.001","80.98","0.001","2512.88","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H54 B2 Cl8 F40 N2 Zr2 -","- C106 H54 B2 Cl8 F40 N2 Zr2 -","- C106 H54 B2 Cl8 F40 N2 Zr2 -","1","0.5","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0548","0.0416","","","0.1051","0.1147","","","","","","1.023","","","","has coordinates,has disorder","194105","2020-10-21","18:00:00",""
"4087172","14.4818","0.0003","14.8376","0.0003","15.0664","0.0005","112.965","0.001","113.358","0.001","100.989","0.001","2497.76","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 B2 Cl2 N2 -","- C46 H36 B2 Cl2 N2 -","- C92 H72 B4 Cl4 N4 -","2","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0373","0.0345","","","0.0996","0.102","","","","","","1.067","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4087173","6.22","0.0002","18.284","0.0004","16.287","0.0005","90","0.0015","96.712","0.0013","90","0.0015","1839.57","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 B2 Cl2 N2 -","- C46 H36 B2 Cl2 N2 -","- C92 H72 B4 Cl4 N4 -","2","0.5","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","0.71073","MoKα","","0.0747","0.0571","","","0.1554","0.1836","","","","","","1.217","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087174","10.806","0.0004","12.358","0.0003","21.034","0.0007","88.301","0.002","79.267","0.001","68.171","0.002","2559.46","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H68 B2 N2 -","- C62 H68 B2 N2 -","- C124 H136 B4 N4 -","2","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","0.71073","MoKα","","0.1066","0.0714","","","0.1933","0.2449","","","","","","1.152","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4087175","10.0513","0.0003","20.195","0.0006","17.8977","0.0005","90","","90.029","0.003","90","","3632.98","0.18","100.2","0.9","100.2","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 U -","- C39 H63 N3 U -","- C156 H252 N12 U4 -","4","1","","Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene","Organometallics","2017","","","","","10.1021/acs.organomet.7b00064","","x-ray","0.71073","MoKα","","0.0581","0.0363","","","0.057","0.0621","","","","","","1.027","","","","has coordinates","194171","2020-10-21","18:00:00",""
"4087176","11.7962","0.0003","16.9274","0.0005","36.1586","0.0012","90","","90","","90","","7220.1","0.4","100","0.2","100","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C82 H104 N4 O4 U2 -","- C82 H104 N4 O4 U2 -","- C328 H416 N16 O16 U8 -","4","0.5","","Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene","Organometallics","2017","","","","","10.1021/acs.organomet.7b00064","","x-ray","0.71073","MoKα","","0.0968","0.0435","","","0.0635","0.0789","","","","","","1.023","","","","has coordinates","194171","2020-10-21","18:00:00",""
"4087177","10.55171","0.00009","14.42242","0.00014","18.30773","0.00016","90","","90.3949","0.0008","90","","2786.03","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 I N2 U -","- C30 H38 I N2 U -","- C120 H152 I4 N8 U4 -","4","1","","Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene","Organometallics","2017","","","","","10.1021/acs.organomet.7b00064","","x-ray","1.54184","CuKα","","0.0305","0.0275","","","0.067","0.0692","","","","","","1.046","","","","has coordinates","194171","2020-10-21","18:00:00",""
"4087178","18.7455","0.0018","15.5711","0.0013","20.763","0.0019","90","","101.865","0.003","90","","5931","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H73 B6 Br6 N -","- C58 H73 B6 Br6 N -","- C232 H292 B24 Br24 N4 -","4","2","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Jung, Dahee; Dziedzic, Rafal M.; Rheingold, Arnold L.; Spokoyny, Alexander M.","Metal-Free Peralkylation of the closo-Hexaborate Anion","Organometallics","2017","36","6","1204","","10.1021/acs.organomet.7b00078","","","1.54178","CuKα","","0.038","0.0335","","","0.0787","0.0814","","","","","","1.054","","","","has coordinates","194872","2020-10-21","18:00:00",""
"4087179","9.7868","0.0003","32.1401","0.0008","18.1648","0.0006","90","","104.664","0.001","90","","5527.6","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H72 B Li Ni O8 P2 -","- C56 H72 B Li Ni O8 P2 -","- C224 H288 B4 Li4 Ni4 O32 P8 -","4","2","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","0.71073","MoKα","","0.036","0.0316","","","0.0704","0.0726","","","","","","1.043","","","","has coordinates","194873","2020-10-21","18:00:00",""
"4087180","31.6644","0.0009","17.4522","0.0004","19.9181","0.0007","90","","128.176","0.002","90","","8652.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H49 B F6 Ni P2 -","- C50 H49 B F6 Ni P2 -","- C400 H392 B8 F48 Ni8 P16 -","8","1","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","0.71073","MoKα","","0.0734","0.0632","","","0.1773","0.1892","","","","","","1.042","","","","has coordinates,has disorder","194873","2020-10-21","18:00:00",""
"4087181","18.5059","0.0006","18.4989","0.0006","38.0938","0.0012","90","","90.809","0.002","90","","13039.7","0.7","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C128 H104 B2 Br2 F48 Ni2 P4 -","- C128 H104 B2 Br2 F48 Ni2 P4 -","- C512 H416 B8 Br8 F192 Ni8 P16 -","4","1","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","1.54178","CuKα","","0.0731","0.0536","","","0.1375","0.1519","","","","","","1.029","","","","has coordinates,has disorder","194873","2020-10-21","18:00:00",""
"4087182","26.6882","0.0019","22.5195","0.0016","30.2864","0.0019","90","","103.092","0.004","90","","17729","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H74 B2 Cl6 F12 Ni P4 -","- C86 H74 B2 Cl6 F12 Ni P4 -","- C688 H592 B16 Cl48 F96 Ni8 P32 -","8","2","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","1.54178","CuKα","","0.1234","0.1067","","","0.3274","0.3541","","","","","","1.485","","","","has coordinates,has disorder","194873","2020-10-21","18:00:00",""
"4087183","11.9569","0.0009","14.19","0.0009","16.1234","0.0017","103.526","0.006","94.288","0.006","113.247","0.004","2400.7","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H52 B Cl2 F6 Li Ni O2 P2 -","- C50 H52 B Cl2 F6 Li Ni O2 P2 -","- C100 H104 B2 Cl4 F12 Li2 Ni2 O4 P4 -","2","1","","Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization","Organometallics","2017","36","6","1122","","10.1021/acs.organomet.6b00932","","","1.54178","CuKα","","0.0964","0.0635","","","0.2001","0.2428","","","","","","1.027","","","","has coordinates","194873","2020-10-21","18:00:00",""
"4087184","11.4848","0.0004","14.0729","0.0005","23.3388","0.0009","90","","90","","90","","3772.1","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 Br2 Cl2 N2 Ni -","- C39 H44 Br2 Cl2 N2 Ni -","- C156 H176 Br8 Cl8 N8 Ni4 -","4","1","","Zhu, Liang; Zang, Dandan; Wang, Yi; Guo, Yintian; Jiang, Baiyu; He, Feng; Fu, Zhisheng; Fan, Zhiqiang; Hickner, Michael A.; Liu, Zi-Kui; Chen, Long-Qing","Insight into the Mechanism of Thermal Stability of α-Diimine Nickel Complex in Catalyzing Ethylene Polymerization","Organometallics","2017","36","6","1196","","10.1021/acs.organomet.7b00066","","","0.71073","MoKα","","0.0412","0.033","","","0.0702","0.0739","","","","","","1.035","","","","has coordinates","194871","2020-10-21","18:00:00",""
"4087185","10.5063","0.0007","30.1519","0.0019","11.0875","0.0007","90","","114.522","0.001","90","","3195.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N6 P2 Pt -","- C30 H46 N6 P2 Pt -","- C120 H184 N24 P8 Pt4 -","4","1","","Yang, Xi; VenkatRamani, Sudarsan; Beto, Christopher C.; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Single versus Double Cu(I) Catalyzed [3 + 2] Azide/Platinum Diacetylide Cycloaddition Reactions","Organometallics","2017","36","7","1352","","10.1021/acs.organomet.7b00067","","","0.71073","MoKα","","0.0267","0.0227","","","0.0407","0.0415","","","","","","1.223","","","","has coordinates","196167","2020-10-21","18:00:00",""
"4087186","19.34","0.002","28.497","0.003","19.81","0.002","90","","90.0365","0.0019","90","","10918","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121.85 H99.5 Cl7.25 N6 P4 Pt2 -","- C121.85 H99.5 Cl7.25 N6 P4 Pt2 -","- C487.4 H398 Cl29 N24 P16 Pt8 -","4","1","","Yang, Xi; VenkatRamani, Sudarsan; Beto, Christopher C.; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Single versus Double Cu(I) Catalyzed [3 + 2] Azide/Platinum Diacetylide Cycloaddition Reactions","Organometallics","2017","36","7",