# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:20:26+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS catalysis') 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
"4501447","16.8818","0.0005","10.7967","0.0003","20.6102","0.0006","90","","99.5901","0.0007","90","","3704.08","0.19","100.2","","100.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl4 N2 O2 Ti -","- C39 H42 Cl4 N2 O2 Ti -","- C156 H168 Cl16 N8 O8 Ti4 -","4","1","","Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori","Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation","ACS Catalysis","2011","1","4","254","","10.1021/cs100148a","","","0.7107","MoKα","","","0.0413","","","","0.1053","","","","","","0.872","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501448","15.976","0.002","25.591","0.002","10.943","0.005","90","","102.3","0.02","90","","4371","2","223.2","","223.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C47 H59 Cl2 N2 O2 Ti -","- C47 H32 Cl2 N2 O2 Ti -","- C188 H128 Cl8 N8 O8 Ti4 -","4","1","","Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori","Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation","ACS Catalysis","2011","1","4","254","","10.1021/cs100148a","","","0.7107","MoKα","","0.0635","0.0635","","","0.1676","0.1676","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501449","7.8416","0.0014","13.964","0.002","9.5724","0.0016","90","","106.198","0.003","90","","1006.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Br N4 O5 -","- C20 H19 Br N4 O5 -","- C40 H38 Br2 N8 O10 -","2","1","","Hua, Qiu-Lin; Li, Chao; Wang, Xu-Fan; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing","Enantioselective Synthesis of Chromans with a Quaternary Stereogenic Centre through Catalytic Asymmetric Cascade Reactions","ACS Catalysis","2011","1","3","221","","10.1021/cs100161k","","","0.71073","MoKα","","0.0406","0.034","","","0.0769","0.079","","","","","","0.947","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501450","10.8363","0.0005","13.4156","0.0005","16.1656","0.0007","90","","96.788","0.001","90","","2333.61","0.17","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B N3 O3 Zn -","- C22 H32 B N3 O3 Zn -","- C88 H128 B4 N12 O12 Zn4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.0308","0.0245","","","0.067","0.0704","","","","","","1.04","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501451","21.569","0.009","9.896","0.004","15.813","0.007","90","","106.292","0.006","90","","3240","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sad225","","","- C31 H42 B N3 O4.5 Zn -","- C29 H38 B N3 O4 Zn -","- C116 H152 B4 N12 O16 Zn4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.056","0.0403","","","0.1033","0.1123","","","","","","0.834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501452","7.821","0.002","8.589","0.003","13.088","0.004","84.193","0.004","86.915","0.004","63.19","0.004","780.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Sad221_David","","","- C17 H20 O2 Si -","- C17 H20 O2 Si -","- C34 H40 O4 Si2 -","2","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.1013","0.0593","","","0.1372","0.1564","","","","","","1.034","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501453","7.7423","0.0004","12.8158","0.0007","13.6032","0.0008","90","","97.565","0.001","90","","1338.01","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sad220","","","- C13 H20 O2 Si -","- C13 H20 O2 Si -","- C52 H80 O8 Si4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.0405","0.0382","","","0.1036","0.106","","","","","","1.057","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501454","15.694","0.002","16.579","0.002","17.451","0.002","87.054","0.002","88.06","0.002","62.315","0.002","4015.2","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C53.33 H52 Co F6 N4 O6.67 S2.67 Sb -","- C53.3333 H52 Co F6 N4 O6.66667 S2.66667 Sb -","- C160 H156 Co3 F18 N12 O20 S8 Sb3 -","3","1.5","","Venkatasubbaiah, Krishnan; Zhu, Xunjin; Kays, Elizabeth; Hardcastle, Kenneth I.; Jones, Christopher W.","Co(III)-Porphyrin-Mediated Highly Regioselective Ring-Opening of Terminal Epoxides with Alcohols and Phenols","ACS Catalysis","2011","","","489","","10.1021/cs200114x","","","0.71073","MoKα","","0.1526","0.0794","","","0.2154","0.2639","","","","","","1.021","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501455","17.633","0.003","10.0494","0.0016","22.504","0.003","90","","97.714","0.003","90","","3951.6","1.1","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Hf N5 S -","- C41 H55 Hf N5 S -","- C164 H220 Hf4 N20 S4 -","4","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.0404","0.0307","","","0.0792","0.0824","","","","","","1.033","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501456","11.2458","0.001","13.4734","0.0011","13.5863","0.0011","67.489","0.002","81.795","0.002","88.766","0.002","1881","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Hf N2 S -","- C38 H46 Hf N2 S -","- C76 H92 Hf2 N4 S2 -","2","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.1059","0.0564","","","0.1563","0.1725","","","","","","1.018","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501457","14.4153","0.0019","14.2346","0.0019","16.653","0.002","90","","98.959","0.003","90","","3375.4","0.8","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Hf N4 O S -","- C35 H46 Hf N4 O S -","- C140 H184 Hf4 N16 O4 S4 -","4","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.0464","0.0301","","","0.0731","0.0782","","","","","","1.015","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501458","21.626","0.005","19.173","0.004","25.68","0.005","90","","108.965","0.004","90","","10070","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Hf N6 O -","- C48 H72 Hf N6 O -","- C384 H576 Hf8 N48 O8 -","8","2","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.2164","0.0813","","","0.1783","0.2299","","","","","","0.971","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501459","8.972","0.0002","9.6985","0.0002","18.4616","0.0003","100.458","0.001","94.892","0.001","90.021","0.001","1573.79","0.05","200","2","200","2","","","","","","","","7","P -1","-P 1","2","8 in manuscript","","","- C33 H49 Cl N O P Ru -","- C33 H49 Cl N O P Ru -","- C66 H98 Cl2 N2 O2 P2 Ru2 -","2","1","","Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael","A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica","ACS Catalysis","2011","1","8","872","","10.1021/cs2002109","","","0.71073","MoKα","","0.0861","0.0528","","","0.0828","0.0924","","","","","","1.057","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501460","16.7458","0.0015","16.9502","0.0015","14.9589","0.0013","90","","109.887","0.002","90","","3992.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","10 in manuscript","","","- C43 H50 Cl N3 O Ru -","- C43 H50 Cl N3 O Ru -","- C172 H200 Cl4 N12 O4 Ru4 -","4","1","","Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael","A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica","ACS Catalysis","2011","1","8","872","","10.1021/cs2002109","","","0.71073","MoKα","","0.0579","0.0463","","","0.1058","0.1106","","","","","","1.096","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501461","7.944","0.004","8.854","0.004","16.032","0.007","79.805","0.009","81.63","0.012","80.763","0.011","1087.4","0.9","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F5 N4 O4 Zn -","- C18 H20 F6 N4 O4 Zn -","- C36 H40 F12 N8 O8 Zn2 -","2","1","","Maegawa, Yusuke; Ohshima, Takashi; Hayashi, Yukiko; Agura, Kazushi; Iwasaki, Takanori; Mashima, Kazushi","Additive Effect ofN-Heteroaromatics on Transesterification Catalyzed by Tetranuclear Zinc Cluster","ACS Catalysis","2011","1","10","1178","","10.1021/cs200224b","","","0.71075","MoKα","","0.0615","0.0477","","","0.1315","0.1532","","","","","","1.058","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501462","13.76","0.003","24.958","0.006","14.913","0.004","90","","101.799","0.004","90","","5013","2","138","2","138","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 N2 O8 Pd Si2 -","- C42 H78 N2 O8 Pd Si2 -","- C168 H312 N8 O32 Pd4 Si8 -","4","1","","Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don","Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II)","ACS Catalysis","2011","1","10","1166","","10.1021/cs2002719","","","0.71073","MoKα","","0.078","0.0506","","","0.1108","0.1271","","","","","","1.066","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501463","33.989","0.004","9.3744","0.001","28.483","0.003","90","","121.11","0.001","90","","7770.2","1.5","128","2","128","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H54 N2 O4 Pd Si -","- C36.483 H51.669 N2 O4 Pd Si -","- C291.864 H413.352 N16 O32 Pd8 Si8 -","8","1","","Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don","Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II)","ACS Catalysis","2011","1","10","1166","","10.1021/cs2002719","","","0.71073","MoKα","","0.0465","0.0406","","","0.1316","0.1369","","","","","","1.602","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501464","8.8289","0.0008","32.679","0.003","16.3726","0.0015","90","","90","","90","","4723.8","0.7","123","2","123","2","","","","","","","","7","F d d 2","F 2 -2d","43","07218b","","","- C16 H30 F6 Fe N4 O6 S2 -","- C16 H30 F6 Fe N4 O6 S2 -","- C128 H240 F48 Fe8 N32 O48 S16 -","8","0.5","","Feng, Yan; England, Jason; Que, Lawrence","Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites","ACS Catalysis","2011","1","9","1035","","10.1021/cs200292h","","","0.71073","MoKα","","0.0224","0.0213","","","0.0544","0.0551","","","","","","1.097","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501465","7.7306","0.0015","10.879","0.002","13.935","0.003","87.26","0.03","78.61","0.03","82.14","0.03","1137.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl4 N3 Ni O2 -","- C20 H23 Cl4 N3 Ni O2 -","- C40 H46 Cl8 N6 Ni2 O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0476","0.0443","","","0.1223","0.1246","","","","","","1.229","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501466","9.1206","0.0018","28.489","0.006","9.4194","0.0019","90","","116.45","0.03","90","","2191.3","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl2 N3 Ni O2 -","- C21 H25 Cl2 N3 Ni O2 -","- C84 H100 Cl8 N12 Ni4 O8 -","4","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.061","0.054","","","0.1043","0.1081","","","","","","1.168","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501467","8.4918","0.0017","11.126","0.002","14.794","0.003","107.41","0.03","103.11","0.03","96.34","0.03","1274.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 Ni O2 -","- C21 H25 Cl2 N3 Ni O2 -","- C42 H50 Cl4 N6 Ni2 O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0724","0.0644","","","0.1856","0.1924","","","","","","1.064","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501468","9.1269","0.0018","10.212","0.002","12.557","0.003","112.06","0.03","96.8","0.03","98.4","0.03","1053.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl3 N3 Ni0.5 O2 -","- C20 H23 Cl3 N3 Ni0.5 O2 -","- C40 H46 Cl6 N6 Ni O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0753","0.0643","","","0.159","0.1703","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505631","14.0495","0.0019","9.9391","0.0014","17.681","0.002","90","","110.777","0.002","90","","2308.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Br4 N4 Ni2 -","- C48 H56 Br4 N4 Ni2 -","- C96 H112 Br8 N8 Ni4 -","2","0.5","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.0487","0.0289","","","0.0634","0.0713","","","","","","1.056","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505632","18.146","0.003","12.048","0.002","18.386","0.003","90","","119.14","0.003","90","","3510.9","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Br2 Cl4 N2 Ni O -","- C27 H33 Br2 Cl4 N2 Ni O -","- C108 H132 Br8 Cl16 N8 Ni4 O4 -","4","1","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.111","0.0708","","","0.1924","0.2198","","","","","","1.115","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505633","11.7518","0.0017","10.9119","0.0016","18.5929","0.0019","90","","128.486","0.006","90","","1866.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Br2 N4 Ni -","- C38 H52 Br2 N4 Ni -","- C76 H104 Br4 N8 Ni2 -","2","0.5","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.0699","0.0381","","","0.0898","0.104","","","","","","1.023","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505634","9.806","0.002","12.76","0.006","15.657","0.006","90","","102.62","0.03","90","","1911.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 I N O5 S -","- C18 H20 I N O5 S -","- C72 H80 I4 N4 O20 S4 -","4","1","","Guilbault, Audrey-Anne; Legault, Claude Y.","Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist","ACS Catalysis","2012","2","2","219","","10.1021/cs200612s","","","0.71073","MoKα","","0.1051","0.0535","","","0.112","0.1251","","","","","","1.04","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505635","7.172","0.003","7.921","0.003","33.699","0.008","90","","93.67","0.03","90","","1910.5","1.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 I N O5 S -","- C19 H22 I N O5 S -","- C76 H88 I4 N4 O20 S4 -","4","1","","Guilbault, Audrey-Anne; Legault, Claude Y.","Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist","ACS Catalysis","2012","2","2","219","","10.1021/cs200612s","","","0.71073","MoKα","","0.1389","0.0689","","","0.1435","0.1635","","","","","","0.992","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4506119","20.009","0.016","13.184","0.011","19.278","0.016","90","","95.989","0.015","90","","5058","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 Cl4 O6 P2 Pd2 S2 -","- C50 H58 Cl4 O6 P2 Pd2 S2 -","- C200 H232 Cl16 O24 P8 Pd8 S8 -","4","0.5","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0685","0.0406","","","0.0726","0.0774","","","","","","0.893","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506120","17.934","0.004","10.371","0.002","25.392","0.004","90","","131.536","0.01","90","","3535.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 O6 P2 Pd2 S2 -","- C72 H102 O6 P2 Pd2 S2 -","- C144 H204 O12 P4 Pd4 S4 -","2","0.5","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0505","0.0377","","","0.0859","0.0892","","","","","","0.946","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506121","36.529","0.007","13.21","0.002","24.939","0.005","90","","100.456","0.005","90","","11834","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H61 B F15 O4 P Pd S -","- C58 H61 B F15 O4 P Pd S -","- C464 H488 B8 F120 O32 P8 Pd8 S8 -","8","1","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0455","0.0342","","","0.0778","0.0808","","","","","","0.955","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506122","37.1893","0.0005","37.1893","","37.1893","","90","","90","","90","","51434.4","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","I 2 3","I 2 2 3","197","","","","- C56 H48 Cl12 N4 O18 Rh2 -","- C56 H48 Cl12 N4 O18 Rh2 -","- C1344 H1152 Cl288 N96 O432 Rh48 -","24","1","","Lindsay, Vincent N. G.; Charette, André B.","Design and Synthesis of Chiral Heteroleptic Rhodium(II) Carboxylate Catalysts: Experimental Investigation of Halogen Bond Rigidification Effects in Asymmetric Cyclopropanation","ACS Catalysis","2012","2","6","1221","","10.1021/cs300214v","","","1.54178","CuKα","","0.0407","0.0399","","","0.1152","0.1161","","","","","","1.253","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506582","11.7148","0.0005","6.9828","0.0003","13.444","0.0006","90","","114.935","0.001","90","","997.24","0.08","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 Si -","- C21 H27 N O3 Si -","- C42 H54 N2 O6 Si2 -","2","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0275","0.0254","","","0.0648","0.0664","","","","","","1.033","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506583","8.52","0.0002","8.5557","0.0002","33.4637","0.0008","90","","90","","90","","2439.32","0.1","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N O4 S Si -","- C23 H32 F3 N O4 S Si -","- C92 H128 F12 N4 O16 S4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0221","0.0214","","","0.0578","0.0583","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506584","12.6433","0.0004","13.8501","0.0004","14.684","0.0005","90","","90","","90","","2571.33","0.14","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O3 Si -","- C27 H39 N O3 Si -","- C108 H156 N4 O12 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","1.54178","CuKα","","0.0244","0.0244","","","0.0657","0.0657","","","","","","1.034","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506585","7.5343","0.0003","8.5707","0.0004","25.2748","0.0011","90","","90","","90","","1632.1","0.12","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O Si -","- C16 H20 Cl N O Si -","- C64 H80 Cl4 N4 O4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0245","0.0224","","","0.0582","0.0603","","","","","","1.07","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506586","9.4259","0.0017","5.1093","0.001","12.799","0.002","90","","110.279","0.003","90","","578.19","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H8 Br N3 O3 -","- C11 H8 Br N3 O3 -","- C22 H16 Br2 N6 O6 -","2","1","","Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian","Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes","ACS Catalysis","2012","2","8","1535","","10.1021/cs300313j","","","0.71073","MoKα","","0.037","0.033","","","0.0785","0.0798","","","","","","1.045","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506587","31.222","0.005","17.025","0.005","23.69","0.005","90","","101.133","0.005","90","","12356","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Fe2 N16 O2 -","- C62 H70 Fe2 N16 O2 -","- C496 H560 Fe16 N128 O16 -","8","1","","Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J.","High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes","ACS Catalysis","2012","2","8","1760","","10.1021/cs300358m","","","1.54185","CuKα","","0.0795","0.0696","","","0.2117","0.2207","","","","","","1.054","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506588","15.7139","0.0007","10.318","0.0005","17.0218","0.0008","90","","98.758","0.001","90","","2727.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Fe N9 -","- C29 H29 Fe N9 -","- C116 H116 Fe4 N36 -","4","1","","Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J.","High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes","ACS Catalysis","2012","2","8","1760","","10.1021/cs300358m","","","0.71073","MoKα","","0.0631","0.0361","","","0.0808","0.094","","","","","","0.836","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4507135","9.7393","0.0004","13.5428","0.0006","16.9533","0.0007","94.039","0.001","104.186","0.001","109.322","0.001","2017.54","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H21 Ag3 F18 N6 -","- C39 H21 Ag3 F18 N6 -","- C78 H42 Ag6 F36 N12 -","2","1","","Flores, Jaime A.; Komine, Nobuyuki; Pal, Kuntal; Pinter, Balazs; Pink, Maren; Chen, Chun-Hsing; Caulton, Kenneth G.; Mindiola, Daniel J.","Silver(I)-Catalyzed Insertion of Carbene into Alkane C‒H Bonds and the Origin of the Special Challenge of Methane Activation Using DFT as a Mechanistic Probe","ACS Catalysis","2012","2","10","2066","","10.1021/cs300256b","","","0.71073","MoKα","","0.0345","0.0233","","","0.0442","0.0479","","","","","","1.01","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507136","11.2332","0.0009","16.7375","0.0014","33.095","0.003","90","","90","","90","","6222.4","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","08212z","","","- C31 H31 Cl3 Cr N4 P -","- C31 H31 Cl3 Cr N4 P -","- C248 H248 Cl24 Cr8 N32 P8 -","8","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0636","0.0363","","","0.0865","0.0953","","","","","","0.99","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507137","11.5487","0.0016","14.419","0.002","15.38","0.002","90","","90","","90","","2561.1","0.6","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H26 Cl3 Cr N3 P -","- C23 H26 Cl3 Cr N3 P -","- C92 H104 Cl12 Cr4 N12 P4 -","4","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0613","0.0386","","","0.0802","0.0904","","","","","","1.021","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507138","10.788","0.002","12.131","0.005","16.206","0.005","89.72","0.02","71.49","0.03","64.83","0.02","1799.1","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","p-CymeneRu(2,6-Me2NacNac)OTf","","","- C33 H40 Cl3 F3 N2 O3 Ru S -","- C33 H40 Cl3 F3 N2 O3 Ru S -","- C66 H80 Cl6 F6 N4 O6 Ru2 S2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","MoKα","","0.1058","0.0631","","","0.1188","0.1386","","","","","","1.091","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507139","13.3963","0.0004","12.4531","0.0003","23.0725","0.0006","90","","106.164","0.003","90","","3696.92","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl3 F3 N2 O3 Ru S -","- C35 H44 Cl3 F3 N2 O3 Ru S -","- C140 H176 Cl12 F12 N8 O12 Ru4 S4 -","4","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","MoKα","","0.0349","0.027","","","0.0603","0.0653","","","","","","1.044","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507140","13.411","0.0009","14.9649","0.001","18.0317","0.0012","98.982","0.006","96.074","0.005","108.632","0.006","3340","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","C6H6Ru(2,6-Me2NacnacPhOTf.2THF","","","- C29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91 -","- C29.909 H29 Cl0.091 F2.727 N2 O2.727 Ru S0.909 -","- C119.636 H116 Cl0.364 F10.908 N8 O10.908 Ru4 S3.636 -","4","2","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","","","0.0898","0.0618","","","0.1532","0.1684","","","","","","0.961","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507141","7.7447","0.0002","12.5622","0.0004","12.1814","0.0004","90","","94.917","0.003","90","","1180.77","0.06","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","C6H6Ru(Me)2,6-MeNacnac","","","- C28 H34 N2 Ru -","- C28 H34 N2 Ru -","- C56 H68 N4 Ru2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.7107","MoKα","","0.0192","0.0187","","","0.0466","0.047","","","","","","1.067","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507142","17.2281","0.0002","17.5318","0.0002","18.888","0.0002","90","","104.533","0.0005","90","","5522.39","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 B F25 N P2 Rh -","- C51 H48 B F25 N P2 Rh -","- C204 H192 B4 F100 N4 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0522","0.0395","","","0.0955","0.1044","","","","","","1.033","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507143","12.2384","0.0002","15.4948","0.0003","17.5543","0.0003","103.603","0.0007","109.864","0.0008","98.834","0.0007","2942.02","0.09","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C53 H51 B F24 N O P2 Rh S -","- C53 H51 B F24 N O P2 Rh S -","- C106 H102 B2 F48 N2 O2 P4 Rh2 S2 -","2","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0917","0.066","","","0.162","0.1787","","","","","","1.033","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507144","13.1403","0.0001","13.1403","0.0001","34.4622","0.0002","90","","90","","90","","5950.5","0.07","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C57 H52 B F26 P2 Rh -","- C57 H52 B F26 P2 Rh -","- C228 H208 B4 F104 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0443","0.0392","","","0.0959","0.0996","","","","","","1.023","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507145","17.7994","0.0001","17.3901","0.0002","19.0524","0.0002","90","","109.328","0.0004","90","","5564.97","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 B F25 P2 Rh -","- C52 H49 B F25 P2 Rh -","- C208 H196 B4 F100 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0637","0.0474","","","0.1217","0.1337","","","","","","1.015","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507146","12.6572","0.0001","13.247","0.0001","19.6804","0.0002","104.275","0.0005","106.494","0.0005","91.3854","0.0004","3050.53","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H56 B F26 P2 Rh -","- C59 H56 B F26 P2 Rh -","- C118 H112 B2 F52 P4 Rh2 -","2","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0653","0.0454","","","0.1086","0.1193","","","","","","1.033","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507147","13.8162","0.0001","18.0951","0.0001","26.4511","0.0003","90","","92.0377","0.0003","90","","6608.74","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 B F25 N P2 Rh -","- C63 H64 B F25 N P2 Rh -","- C252 H256 B4 F100 N4 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.078","0.0584","","","0.1438","0.1536","","","","","","1.078","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507148","12.747","0.001","14.427","0.001","19.799","0.001","90","","96.74","0.01","90","","3615.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cu N2 O -","- C39 H51 Cu N2 O -","- C156 H204 Cu4 N8 O4 -","4","1","","Pouy, Mark J.; Delp, Samuel A.; Uddin, Jamal; Ramdeen, Vijay M.; Cochrane, Nikki A.; Fortman, George C.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes Supported byN-Heterocyclic Carbene Ligands","ACS Catalysis","2012","2","10","2182","","10.1021/cs300544w","","","0.71073","MoKα","","0.0703","0.0427","","","0.1078","0.1195","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507149","14.5719","0.0015","17.2445","0.0018","7.3877","0.0008","90","","90","","90","","1856.4","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 Co O4 P -","- C19 H18 Co O4 P -","- C76 H72 Co4 O16 P4 -","4","1","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.032","0.0279","","","0.0665","0.0683","","","","","","1.049","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507150","9.0646","0.0008","9.2649","0.0008","11.4599","0.001","94.012","0.006","108.645","0.005","109.326","0.005","843.74","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Co O3 P -","- C16 H25 Co O3 P -","- C32 H50 Co2 O6 P2 -","2","1","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.0806","0.0592","","","0.1569","0.1798","","","","","","1.028","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507151","12.6461","0.0005","9.7325","0.0004","14.7834","0.0005","90","","110.949","0.002","90","","1699.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Co2 O6 P2 -","- C32 H50 Co2 O6 P2 -","- C64 H100 Co4 O12 P4 -","2","0.5","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.0373","0.0295","","","0.0699","0.0741","","","","","","1.059","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507431","26.531","0.0004","29.2825","0.001","21.2848","0.0004","90","","90","","90","","16536","0.7","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C192 H144 Cu4 N28 O12 -","- C192 H144 Cu4 N28 O12 -","- C768 H576 Cu16 N112 O48 -","4","","","He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong","Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity","ACS Catalysis","2013","3","1","1","","10.1021/cs300640r","","","1.54178","CuKα","","0.1248","0.1044","","","0.2103","0.2221","","","","","","1.006","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507432","13.373","0.005","13.767","0.005","14.926","0.005","104.973","0.005","103.729","0.005","109.545","0.005","2338.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 Cu4 N20 O22 -","- C100 H80 Cu4 N20 O22 -","- C100 H80 Cu4 N20 O22 -","1","0.5","","He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong","Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity","ACS Catalysis","2013","3","1","1","","10.1021/cs300640r","","","1.54178","CuKα","","0.0962","0.0643","","","0.1513","0.1656","","","","","","1.039","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507433","24.2414","0.0006","12.5158","0.0003","30.0577","0.0008","90","","106.816","0.003","90","","8729.6","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 Cl2 F5 N3 O3 Ru -","- C46 H50 Cl2 F5 N3 O3 Ru -","- C368 H400 Cl16 F40 N24 O24 Ru8 -","8","2","","Nelson, David J.; Queval, Pierre; Rouen, Mathieu; Magrez, Magaly; Toupet, Loïc; Caijo, Frédéric; Borré, Etienne; Laurent, Isabelle; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc; Percy, Jonathan M.","Synergic Effects Between N-Heterocyclic Carbene and Chelating Benzylidene‒Ether Ligands Toward the Initiation Step of Hoveyda‒Grubbs Type Ru Complexes","ACS Catalysis","2013","3","2","259","264","10.1021/cs400013z","","","0.71073","MoKα","","0.1475","0.05","","","0.0759","0.0913","","","","","","0.798","","","","has coordinates","209801","2020-10-21","18:00:00",""
"4507438","7.6922","0.0017","10.824","0.003","11.227","0.003","74.383","0.004","86.307","0.004","80.513","0.005","887.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H8 Br Fe2 N O6 S2 -","- C14 H8 Br Fe2 N O6 S2 -","- C28 H16 Br2 Fe4 N2 O12 S4 -","2","1","","Dey, Subal; Rana, Atanu; Dey, Somdatta Ghosh; Dey, Abhishek","Electrochemical Hydrogen Production in Acidic Water by an Azadithiolate Bridged Synthetic Hydrogenese Mimic: Role of Aqueous Solvation in Lowering Overpotential","ACS Catalysis","2013","3","3","429","","10.1021/cs300835a","","","0.71073","MoKα","","0.0361","0.0331","","","0.095","0.0986","","","","","","0.782","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507767","10.5224","0.0009","8.7192","0.0007","20.0164","0.0017","90","","102.322","0.002","90","","1794.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Zhang, Xiao-Nan; Shi, Min","Phosphine-Catalyzed [3 + 2] Cycloaddition of 4,4-Dicyano-2-methylenebut-3-enoates with Benzyl Buta-2,3-dienoate and Penta-3,4-dien-2-one","ACS Catalysis","2013","3","4","507","","10.1021/cs300751a","","","0.71073","MoKα","","0.0579","0.0453","","","0.1168","0.1263","","","","","","1.022","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507768","6.0338","0.0007","7.3229","0.0008","32.512","0.004","90","","90","","90","","1436.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F3 N2 O7 -","- C11 H13 F3 N2 O7 -","- C44 H52 F12 N8 O28 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0459","0.0367","","","0.0898","0.0943","","","","","","1.031","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507769","5.2612","0.0002","8.0356","0.0003","26.8522","0.001","90","","90.009","0.002","90","","1135.23","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O4 -","- C10 H11 F3 O4 -","- C40 H44 F12 O16 -","4","2","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0521","0.0518","","","0.1551","0.1554","","","","","","1.115","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507770","7.0694","0.001","7.0694","0.001","35.24","0.007","90","","90","","90","","1761.2","0.5","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C7 H10 F3 N O3 -","- C7 H10 F3 N O3 -","- C56 H80 F24 N8 O24 -","8","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0437","0.0437","","","0.1122","0.1122","","","","","","1.099","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507771","6.4729","0.0013","7.3947","0.0015","21.763","0.004","90","","90","","90","","1041.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 F3 N O3 -","- C8 H12 F3 N O3 -","- C32 H48 F12 N4 O12 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.073","0.0699","","","0.1857","0.1914","","","","","","1.053","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507772","5.1139","0.0009","6.3453","0.0011","11.289","0.002","82.575","0.003","79.056","0.003","68.124","0.003","333.07","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","1","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0354","0.0351","","","0.1","0.1005","","","","","","1.077","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507773","7.077","0.002","7.792","0.002","17.241","0.005","83.163","0.006","83.039","0.006","75.993","0.006","911.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N O2 S -","- C19 H19 Cl2 N O2 S -","- C38 H38 Cl4 N2 O4 S2 -","2","1","","Cheng, Jiajia; Tang, Xinjun; Ma, Shengming","Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes","ACS Catalysis","2013","3","4","663","","10.1021/cs300838k","","","0.71073","MoKα","","0.0479","0.0409","","","0.1115","0.1175","","","","","","1.05","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507774","14.8823","0.0006","15.0709","0.0006","15.0819","0.0006","90","","90","","90","","3382.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl N O2 S -","- C16 H22 Cl N O2 S -","- C128 H176 Cl8 N8 O16 S8 -","8","1","","Cheng, Jiajia; Tang, Xinjun; Ma, Shengming","Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes","ACS Catalysis","2013","3","4","663","","10.1021/cs300838k","","","0.71073","MoKα","","0.0504","0.0424","","","0.1163","0.1293","","","","","","1.039","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507775","8.6638","0.001","10.6945","0.0012","21.769","0.002","90","","90","","90","","2017","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O4 S -","- C22 H18 Br N O4 S -","- C88 H72 Br4 N4 O16 S4 -","4","1","","Jia, Min-Qiang; You, Shu-Li","N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde‒Ketone Benzoin Reactions","ACS Catalysis","2013","3","4","622","","10.1021/cs4000014","","","0.71073","MoKα","","0.0633","0.0463","","","0.1026","0.1108","","","","","","0.978","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507776","6.5346","0.0006","8.803","0.0009","10.4461","0.0011","85.089","0.009","75.857","0.009","68.462","0.009","542","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Baronsky, Thilo; Beattie, Christopher; Harrington, Ross W.; Irfan, Reyhan; North, Michael; Osende, Javier G.; Young, Carl","Bimetallic Aluminum(salen) Catalyzed Synthesis of Oxazolidinones from Epoxides and Isocyanates","ACS Catalysis","2013","3","4","790","","10.1021/cs4001046","","","0.71073","MoKα","","0.0597","0.0545","","","0.1801","0.1857","","","","","","1.191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507881","19.5432","0.001","27.2305","0.0014","23.3159","0.0012","90","","99.748","0.001","90","","12228.9","1.1","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Cl2 F12 N10 O4 P2 Ru2 -","- C60 H49 Cl2 F12 N10 O4 P2 Ru2 -","- C480 H392 Cl16 F96 N80 O32 P16 Ru16 -","8","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71073","MoKα","","","0.0338","","","","0.0869","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507882","11.4748","0.0018","22.961","0.004","11.4873","0.0017","90","","95.161","0.002","90","","3014.3","0.8","296.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl F6 N4 O2 P Ru -","- C30 H18 Cl F6 N4 O2 P Ru -","- C120 H72 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71069","MoKα","","","0.1287","","","","0.3423","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507883","8.6237","0.0008","30.965","0.003","11.965","0.0011","90","","109.38","0.001","90","","3014","0.5","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl F9 N5 P Ru -","- C29 H21 Cl F9 N5 P Ru -","- C116 H84 Cl4 F36 N20 P4 Ru4 -","4","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71069","MoKα","","","0.0442","","","","0.1203","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508109","11.6786","0.0009","19.4125","0.0016","11.7398","0.0009","90","","104.932","0.001","90","","2571.7","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N6 O4 Re -","- C25 H20 Br N6 O4 Re -","- C100 H80 Br4 N24 O16 Re4 -","4","1","","Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel","Photocatalytic Conversion of CO2to CO Using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties","ACS Catalysis","2013","3","8","1685","","10.1021/cs400332y","","","0.71073","MoKα","","0.0647","0.0495","","","0.136","0.1488","","","","","","1.025","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508110","14.843","0.003","16.907","0.004","17.478","0.004","90","","93.767","0.004","90","","4376.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C8H14[OSSO]V(=O)(OPr)3","C8H14[OSSO]V(=O)(OPr)3","","- C44 H72 O4 S2 V -","- C44 H72 O4 S2 V -","- C176 H288 O16 S8 V4 -","4","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0787","0.0627","","","0.1483","0.1604","","","","","","1.055","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508111","17.747","0.005","15.722","0.004","19.957","0.006","90","","103.391","0.004","90","","5417","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C8H14[OSSO]NbCl3","C8H14[OSSO]NbCl3","","- C56 H70 Cl3 Nb O2 S2 -","- C56 H70 Cl3 Nb O2 S2 -","- C224 H280 Cl12 Nb4 O8 S8 -","4","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0854","0.0634","","","0.1493","0.1659","","","","","","1.077","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508112","14.0634","0.0012","11.496","0.001","14.0371","0.0012","90","","101.661","0.0014","90","","2222.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","C8H14[OSSO]TaCl3","C8H14[OSSO]TaCl3","","- C44 H64 Cl3 O2 S2 Ta -","- C44 H64 Cl3 O2 S2 Ta -","- C88 H128 Cl6 O4 S4 Ta2 -","2","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0234","0.0232","","","0.0587","0.0588","","","","","","1.059","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508355","39.868","0.005","11.8049","0.0014","19.788","0.002","90","","93.947","0.002","90","","9290.9","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H70 Cl5 Co N4 O2 -","- C44 H70 Cl5 Co N4 O2 -","- C352 H560 Cl40 Co8 N32 O16 -","8","1","","Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V.","Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions","ACS Catalysis","2013","","","1951","","10.1021/cs400409d","","","0.71073","MoKα","","0.1107","0.058","","","0.1494","0.1845","","","","","","1.049","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508356","34.074","0.004","10.4676","0.0011","13.8502","0.0015","90","","90","","90","","4940","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl1.25 Co1.25 N5 O2.5 -","- C23.998 H31 Cl Co N4 O3.828 -","- C191.984 H248 Cl8 Co8 N32 O30.624 -","8","2","","Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V.","Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions","ACS Catalysis","2013","","","1951","","10.1021/cs400409d","","","0.71073","MoKα","","0.0891","0.0792","","","0.1776","0.1807","","","","","","1.857","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508362","12.129","0.002","11.4374","0.0017","17.545","0.003","90","","95.165","0.007","90","","2424","0.7","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl2 F6 Ir N2 O2 P -","- C18 H28 Cl2 F6 Ir N2 O2 P -","- C72 H112 Cl8 F24 Ir4 N8 O8 P4 -","4","1","","Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A.","Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes","ACS Catalysis","2013","3","10","2304","","10.1021/cs400420n","","","0.71073","MoKα","","0.1021","0.0614","","","0.1642","0.1943","","","","","","1.017","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508363","10.982","0.002","13.584","0.003","15.035","0.003","95.693","0.007","108.315","0.008","110.76","0.007","1934.2","0.7","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 F6 Ir2 N4 O7 S2 -","- C32 H50 F6 Ir2 N4 O7 S2 -","- C64 H100 F12 Ir4 N8 O14 S4 -","2","1","","Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A.","Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes","ACS Catalysis","2013","3","10","2304","","10.1021/cs400420n","","","0.71073","MoKα","","0.0442","0.0276","","","0.0487","0.0518","","","","","","1.039","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508364","20.0576","0.0004","14.3652","0.0003","17.229","0.0004","90","","95.415","0.002","90","","4942.06","0.18","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Tris(acetonitrile)(nitrosyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum hemikis[di-μ-chloro(tetrachloro)dizincate] toluene solvate","","- C49 H45 Cl3 Mo N4 O2 P2 Zn -","- C49 H45 Cl3 Mo N4 O2 P2 Zn -","- C196 H180 Cl12 Mo4 N16 O8 P8 Zn4 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.1531","0.062","","","0.0893","0.107","","","","","","0.916","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508365","12.4979","0.0002","15.4233","0.0003","19.774","0.0004","88.382","0.002","81.163","0.002","87.527","0.001","3761.96","0.12","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","Tris(acetonitrile)(nitrosyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum tetrakis[3'5-bis(trifluoromethyl)phenyl]borate hemipentane solvate","","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","1","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0637","0.048","","","0.1423","0.1478","","","","","","1.115","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508366","16.0776","0.0009","17.0716","0.0013","18.0135","0.0014","105.257","0.007","115.011","0.007","98.938","0.005","4116.7","0.6","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Bis(acetonitrile)(di-μ-chloro)bis(nitrosyl){bis[oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]}dimolybdenum bis{tetrakis[3'5-bis(trifluoromethyl)phenyl]borate} chlorobenzene pentane solvate","","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","1","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.1467","0.1156","","","0.2968","0.3276","","","","","","1.179","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508367","11.5883","0.0001","13.8586","0.0001","24.9475","0.0002","90","","101.155","0.001","90","","3930.82","0.06","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro(nitrosyl)(dicarbonyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum toluene solvate","","- C45 H36 Cl Mo N O4 P2 -","- C45 H36 Cl Mo N O4 P2 -","- C180 H144 Cl4 Mo4 N4 O16 P8 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.045","0.0323","","","0.0809","0.0834","","","","","","1.081","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508368","10.2639","0.0001","21.2569","0.0003","18.332","0.0003","90","","105.192","0.002","90","","3859.88","0.1","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro[(2-{[2'-(diphenylphosphanyl-κ<i>P</i>)biphenyl-2-yl]oxy-κ<i>O</i>}phenyl)(diphenyl)phosphane-κ<i>P</i>](nitrosyl)(trimethylphosphane)molybdenum diethyl ether solvate","","- C82 H84 Cl2 Mo2 N2 O5 P6 -","- C82 H84 Cl2 Mo2 N2 O5 P6 -","- C164 H168 Cl4 Mo4 N4 O10 P12 -","2","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0696","0.0472","","","0.11","0.116","","","","","","1.052","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508369","19.3956","0.0003","12.6738","0.0002","20.4746","0.0003","90","","114.639","0.002","90","","4574.74","0.14","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro[(2-{[2'-(diphenylphosphanyl-κ<i>P</i>)biphenyl-2-yl]oxy-κ<i>O</i>}phenyl)(diphenyl)phosphane-κ<i>P</i>](nitrosyl)(triphenylphosphane)molybdenum","","- C54 H43 Cl Mo N O2 P3 -","- C54 H43 Cl Mo N O2 P3 -","- C216 H172 Cl4 Mo4 N4 O8 P12 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0361","0.027","","","0.0714","0.0733","","","","","","1.08","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508370","8.288","0.007","11.99","0.009","13.424","0.01","100.742","0.015","95.96","0.03","103.708","0.014","1257.9","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ec001","ec001","","- C23 H39 Ir O3 P2 -","- C23 H39 Ir O3 P2 -","- C46 H78 Ir2 O6 P4 -","2","1","","Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.","Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes","ACS Catalysis","2013","3","10","2391","","10.1021/cs400551g","","","0.71073","MoKα","","0.0665","0.0422","","","0.0696","0.0772","","","","","","0.978","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508371","16.707","0.002","18.088","0.002","39.933","0.005","90","","96.48","0.01","90","","11991","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H52 B F24 Ir O3 P2 -","- C55 H52 B F24 Ir O3 P2 -","- C440 H416 B8 F192 Ir8 O24 P16 -","8","1","","Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.","Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes","ACS Catalysis","2013","3","10","2391","","10.1021/cs400551g","","","0.71073","MoKα","","0.0709","0.0537","","","0.1069","0.1138","","","","","","1.115","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508372","12.4548","0.0003","12.8516","0.0003","20.4735","0.0005","90","","93.992","0.001","90","","3269.12","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 N3 Zn -","- C36 H47 N3 Zn -","- C144 H188 N12 Zn4 -","4","1","","Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I.","Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles","ACS Catalysis","2013","3","10","2336","","10.1021/cs400581w","","","0.71073","MoKα","","0.0516","0.037","","","0.0986","0.1083","","","","","","1.014","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508373","32.0382","0.0006","11.1091","0.0002","16.1622","0.0011","90","","118.402","0.008","90","","5060","0.5","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 N2 O3 P Ru -","- C24 H40 N2 O3 P Ru -","- C192 H320 N16 O24 P8 Ru8 -","8","1","","Huff, Chelsea A.; Sanford, Melanie S.","Catalytic CO2Hydrogenation to Formate by a Ruthenium Pincer Complex","ACS Catalysis","2013","3","10","2412","","10.1021/cs400609u","","","1.54178","CuKα","","0.0286","0.0283","","","0.0757","0.0759","","","","","","1.041","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508374","18.625","0.003","20.786","0.003","32.239","0.005","90","","90","","90","","12481","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cr O4 P2 -","- C34 H30 Cr O4 P2 -","- C544 H480 Cr16 O64 P32 -","16","2","","Zhang, Jun; Wang, Xiao; Zhang, Xuejun; Wu, Weijie; Zhang, Gengtao; Xu, Sheng; Shi, Min","Switchable Ethylene Tri-/Tetramerization with High Activity: Subtle Effect Presented by Backbone-Substituent of Carbon-Bridged Diphosphine Ligands","ACS Catalysis","2013","3","10","2311","","10.1021/cs400651h","","","0.71073","MoKα","","0.0698","0.0507","","","0.1261","0.1394","","","","","","1.175","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508375","9.218","0.003","16.424","0.004","24.589","0.008","90","","90","","90","","3722.7","1.9","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Ir O5 S -","- C16 H27 Ir O5 S -","- C128 H216 Ir8 O40 S8 -","8","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0423","0.0235","","","0.0408","0.044","","","","","","1.021","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508376","9.08","0.004","14.954","0.007","15.588","0.007","90","","90","","90","","2116.6","1.7","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 F6 Ir O5 S -","- C16 H21 F6 Ir O5 S -","- C64 H84 F24 Ir4 O20 S4 -","4","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0639","0.0329","","","0.0598","0.0664","","","","","","1.023","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508377","8.2462","0.0013","14.311","0.002","16.825","0.002","90","","103.277","0.007","90","","1932.5","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Ir N O5 S -","- C19 H24 Ir N O5 S -","- C76 H96 Ir4 N4 O20 S4 -","4","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0214","0.0168","","","0.0322","0.0331","","","","","","1.027","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508378","19.779","0.003","8.4715","0.0015","30.216","0.005","90","","128.931","0.006","90","","3938.5","1.2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl Ir O3 S -","- C19 H24 Cl Ir O3 S -","- C152 H192 Cl8 Ir8 O24 S8 -","8","2","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.046","0.03","","","0.0565","0.06","","","","","","1.038","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508379","25.452","0.004","13.8983","0.0017","15.856","0.003","90","","104.624","0.007","90","","5427.2","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cu4 F12 N8 O16 S4 -","- C44 H36 Cu4 F12 N8 O16 S4 -","- C176 H144 Cu16 F48 N32 O64 S16 -","4","1","","Hoover, Jessica M.; Ryland, Bradford L.; Stahl, Shannon S.","Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems","ACS Catalysis","2013","3","11","2599","","10.1021/cs400689a","","","1.54178","CuKα","","0.0554","0.0363","","","0.0827","0.0919","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508380","9.231","0.003","10.439","0.004","15.222","0.004","92.356","0.005","94.503","0.006","113.508","0.008","1336.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O5 -","- C32 H26 N2 O5 -","- C64 H52 N4 O10 -","2","1","","Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun","Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines","ACS Catalysis","2013","3","11","2501","","10.1021/cs400703u","","","0.7107","MoKα","","0.1466","0.0842","","","0.1817","0.2128","","","","","","1.124","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508381","15.715","0.002","22.582","0.003","16.682","0.002","90","","102.4","0.004","90","","5781.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N3 O5.5 -","- C31 H23 N3 O5.5 -","- C248 H184 N24 O44 -","8","1","","Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun","Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines","ACS Catalysis","2013","3","11","2501","","10.1021/cs400703u","","","0.7107","MoKα","","0.1236","0.097","","","0.2437","0.262","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508603","3.9967","0.0002","25.9143","0.0012","12.3646","0.0006","90","","95.947","0.004","90","","1273.73","0.11","292.23","0.1","292.23","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C60 H40 Cl4 N4 O8 -","4","1","","Han, Runfeng; Qi, Jing; Gu, Jixiang; Ma, Donghui; Xie, Xingang; She, Xuegong","N-Heterocyclic Carbene-Catalyzed Formal [3+2] Annulation of Alkynyl Aldehydes with Nitrosobenzenes: A Highly Regioselective Umpolung Strategy","ACS Catalysis","2013","3","12","2705","","10.1021/cs400602v","","","0.7107","MoKα","","0.0815","0.0511","","","0.0998","0.1207","","","","","","1.05","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508604","11.021","0.005","11.519","0.005","14.052","0.006","68.604","0.007","73.514","0.006","74.287","0.006","1564.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H102 N4 O2 Rh2 -","- C70 H102 N4 O2 Rh2 -","- C70 H102 N4 O2 Rh2 -","1","0.5","","Palacios, Laura; Artigas, Maria Jose; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Hydroxo‒Rhodium‒N-Heterocyclic Carbene Complexes as Efficient Catalyst Precursors for Alkyne Hydrothiolation","ACS Catalysis","2013","3","12","2910","","10.1021/cs400739y","","","0.71073","MoKα","","0.1317","0.0628","","","0.1073","0.1301","","","","","","0.951","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508605","22.6541","0.00016","8.25169","0.00006","17.39574","0.00012","90","","107.371","0.0003","90","","3103.55","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Goubert, Guillaume; Demers-Carpentier, Vincent; Loach, Richard P.; Lafleur-Lambert, Raphaél; Lemay, Jean-Christian; Boukouvalas, John; McBreen, Peter H.","Aminolactone Chiral Modifiers for Heterogeneous Asymmetric Hydrogenation: Corrected Structure of Pantoyl-Naphthylethylamine, In-Situ Hydrogenolysis, and Scanning Tunneling Microscopy Observation of Supramolecular Aminolactone/Substrate Assemblies on Pt(111)","ACS Catalysis","2013","3","12","2677","","10.1021/cs4007588","","","1.54178","CuKα","","0.0303","0.0301","","","0.085","0.0852","","","","","","1.046","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508606","28.7265","0.001","8.8069","0.0003","14.8574","0.0006","90","","95.337","0.004","90","","3742.5","0.2","115","50","115","50","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 Au Cl N3 O5 S -","- C13 H21 Au Cl N3 O5 S -","- C104 H168 Au8 Cl8 N24 O40 S8 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.54184","CuKα","","0.0352","0.0287","","","0.0704","0.0745","","","","","","1.095","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508607","25.769","0.005","11.48","0.005","18.59","0.005","90","0.005","107.214","0.005","90","0.005","5253","3","150","","150","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Au Cl3 N3 O4 S2 -","- C14 H21 Au Cl3 N3 O4 S2 -","- C112 H168 Au8 Cl24 N24 O32 S16 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.5418","CuKα","","0.0908","0.0821","","","0.2258","0.2371","","","","","","1.072","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508608","24.0394","0.0005","8.8925","0.0001","21.0847","0.0004","90","","116.022","0.002","90","","4050.36","0.14","123","0.1","123","0.1","","","","","","","synthesis","7","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H20 Au Cl3 N3 O3.5 S -","- C14.5 H20 Au Cl3 N3 O3.5 S -","- C116 H160 Au8 Cl24 N24 O28 S8 -","8","2","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.54184","CuKα","","0.061","0.0581","","","0.1663","0.1712","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508609","9.717","0.0001","12.6841","0.0001","13.5632","0.0002","90","","108.02","0.001","90","","1589.68","0.03","150","2","150","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Au Cl2 N3 O3 S -","- C12 H14 Au Cl2 N3 O3 S -","- C48 H56 Au4 Cl8 N12 O12 S4 -","4","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.5418","CuKα","","0.0409","0.0396","","","0.1067","0.108","","","","","","1.129","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4509833","9.8241","0.0001","9.8241","0.0001","37.0024","0.0007","90","","90","","120","","3092.76","0.07","150","","150","","","","","","","","","4","P 65","P 65","170","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C132 H144 N12 O36 -","6","1","","Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.","One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.","ACS catalysis","2014","4","2","634","638","10.1021/cs401008v","","","1.5418","CuKα","","0.0282","0.0267","","0.0661","0.0648","0.0661","","","","","","1.0207","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509834","13.489","0.0014","19.154","0.002","12.366","0.0012","90","","116.81","0.003","90","","2851.5","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl N O4 S -","- C34 H30 Cl N O4 S -","- C136 H120 Cl4 N4 O16 S4 -","4","1","","Li, Erqing; Jia, Penghao; Liang, Ling; Huang, You","Phosphine-Catalyzed Sequential [2 +3] and [3 + 2] Annulation Domino Reaction of γ-Benzyl-Substituted Allenoates with α,β-Unsaturated Ketimines To Construct aza-Bicyclo[3,3,0]octane Derivatives","ACS Catalysis","2014","4","2","600","","10.1021/cs401161q","","","0.71075","MoKα","","0.0467","0.034","","","0.0821","0.0867","","","","","","0.995","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509835","9.0412","0.0004","31.3975","0.0015","12.3426","0.0006","90","","96.356","0.001","90","","3482.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7 Cp*Ir(Gly)I in manuscript","","","- C15.5 H19 I Ir N O2 -","- C15.5 H19 I Ir N O2 -","- C124 H152 I8 Ir8 N8 O16 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.066","0.0426","","","0.0721","0.0784","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509836","9.1576","0.0006","11.2916","0.0008","16.2687","0.0011","99.653","0.001","91.159","0.001","91.704","0.001","1657.2","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","9 Cp*Ir(Aib)Cl in manuscript","","","- C14 H23 Cl Ir N O2 -","- C14 H23 Cl Ir N O2 -","- C56 H92 Cl4 Ir4 N4 O8 -","4","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0553","0.0345","","","0.0612","0.0667","","","","","","1.035","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509837","12.8738","0.0018","16.382","0.002","26.73","0.004","90","","90","","90","","5637.3","1.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10 [Cp*Ir(Gly)]3(OTf)3 in manuscript","","","- C42 H63 F9 Ir3 N3 O16 S3 -","- C42 H63 F9 Ir3 N3 O16 S3 -","- C168 H252 F36 Ir12 N12 O64 S12 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0571","0.0504","","","0.1267","0.1339","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509838","26.456","0.002","8.5874","0.0007","21.4517","0.0018","90","","121.888","0.001","90","","4138.1","0.6","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","11 [Cp*Ir(Gly)MeCN]OTf in manuscript","","","- C15 H22 F3 Ir N2 O5 S -","- C15 H22 F3 Ir N2 O5 S -","- C120 H176 F24 Ir8 N16 O40 S8 -","8","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0465","0.0306","","","0.0564","0.061","","","","","","1.041","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509839","8.9727","0.0006","10.0097","0.0007","10.1814","0.0007","75.441","0.001","78.89","0.001","68.698","0.001","819.37","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","12 [Cp*Ir(Aib)NH3]Cl in manuscript","","","- C14 H26 Cl Ir N2 O2 -","- C14 H26 Cl Ir N2 O2 -","- C28 H52 Cl2 Ir2 N4 O4 -","2","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0301","0.0245","","","0.0522","0.0543","","","","","","1.051","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509840","10.3281","0.0006","13.3359","0.0007","24.1586","0.0014","90","","94.1269","0.0014","90","","3318.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","13 [Cp*Ir(NH3)3]Cl2 in manuscript","","","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C84 H208 Cl16 Ir8 N24 O4 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0511","0.0383","","","0.0727","0.0823","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509841","8.3622","0.0013","9.0389","0.0014","9.9889","0.0016","90","","105.24","0.004","90","","728.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","14 in manuscript","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0636","0.0477","","","0.1039","0.1138","","","","","","1.11","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509842","9.915","0.002","11.919","0.002","20.194","0.004","97.563","0.003","91.49","0.003","112.378","0.003","2180","0.7","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl6 O6 P2 Ru -","- C42 H34 Cl6 O6 P2 Ru -","- C84 H68 Cl12 O12 P4 Ru2 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.072","0.0447","","","0.0802","0.1004","","","","","","1.047","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509843","16.3958","0.0009","17.5531","0.0009","17.6055","0.0009","101.46","0.001","113.756","0.001","107.585","0.001","4111.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H64 Na O30 P3 Ru6 -","- C76 H64 Na O30 P3 Ru6 -","- C152 H128 Na2 O60 P6 Ru12 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0401","0.0289","","","0.0635","0.0684","","","","","","1.084","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509844","17.7301","0.0006","12.3659","0.0004","18.3431","0.0006","90","","102.999","0.001","90","","3918.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.2 H34 Cl0.3 O2.71 P2 Ru -","- C42.206 H34 Cl0.294 O2.706 P2 Ru -","- C168.824 H136 Cl1.176 O10.824 P8 Ru4 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0739","0.0566","","","0.1579","0.1704","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509845","19.0814","0.0017","10.8848","0.0009","15.6495","0.0014","90","","90","","90","","3250.4","0.5","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H32 O6 P2 Ru -","- C39 H32 O6 P2 Ru -","- C156 H128 O24 P8 Ru4 -","4","0.5","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0564","0.0354","","","0.0694","0.073","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509846","13.2898","0.0008","19.8988","0.0012","14.5203","0.0008","90","","94.197","0.001","90","","3829.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 O8 P2 Ru2 -","- C42 H32 O8 P2 Ru2 -","- C168 H128 O32 P8 Ru8 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0534","","","","","","1.029","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509847","9.508","0.002","9.679","0.003","10.314","0.003","82.54","0.03","74.65","0.02","73.17","0.02","874.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl F N2 O -","- C19 H22 Cl F N2 O -","- C38 H44 Cl2 F2 N4 O2 -","2","1","","Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives","ACS Catalysis","2014","4","1","49","","10.1021/cs400904t","","","0.7107","MoKα","","0.1044","0.0581","","","0.1542","0.1904","","","","","","1.028","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4510029","12.4567","0.0004","14.2413","0.0005","18.0693","0.0013","90","","90","","90","","3205.5","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H44 B2 F8 Ir N4 O2 P3 -","- C19 H43 B2 F8 Ir N4 O2 P3 -","- C76 H172 B8 F32 Ir4 N16 O8 P12 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0371","0.0352","","","0.0869","0.0879","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510030","8.4218","0.0004","10.3619","0.0004","10.7421","0.0008","90","","102.256","0.007","90","","916.05","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H21 B Cl F4 Ir N4 -","- C15 H21 B Cl F4 Ir N4 -","- C30 H42 B2 Cl2 F8 Ir2 N8 -","2","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71075","MoKα","","0.065","0.0546","","","0.1016","0.1069","","","","","","1.062","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510031","13.9451","0.001","22.7483","0.0004","13.5566","0.0003","90","","112.44","0.008","90","","3974.9","0.4","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H63 B Cl F4 Ir N4 O -","- C36 H63 B Cl F4 Ir N4 O -","- C144 H252 B4 Cl4 F16 Ir4 N16 O4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0471","0.0373","","","0.0792","0.0827","","","","","","1.078","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510032","10.2065","0.0005","11.645","0.0005","30.295","0.002","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C108 H212 B8 F32 Ir4 N16 O12 P8 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0396","0.0354","","","0.0713","0.0728","","","","","","1.088","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510033","10.6139","0.0003","10.4084","0.0003","27.7107","0.0019","90","","96.783","0.007","90","","3039.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 B2 F8 Ir N4 O P -","- C24 H44 B2 F8 Ir N4 O P -","- C96 H176 B8 F32 Ir4 N16 O4 P4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0392","0.0312","","","0.0678","0.0719","","","","","","1.057","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510034","15.4119","0.0003","10.641","0.0002","20.2231","0.0014","90","","102.973","0.007","90","","3231.9","0.3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H45 B2 F8 Ir N4 P4 -","- C20 H45 B2 F8 Ir N4 P4 -","- C80 H180 B8 F32 Ir4 N16 P16 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","1.54178","CuKα","","0.1051","0.0844","","","0.2288","0.2487","","","","","","1.083","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510035","10.6892","0.0003","27.0455","0.0008","9.0785","0.0003","90","","108.475","0.001","90","","2489.28","0.13","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N Ni O P -","- C28 H36 N Ni O P -","- C112 H144 N4 Ni4 O4 P4 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0305","0.0286","","","0.0763","0.0777","","","","","","1.04","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510036","16.4657","0.0005","18.901","0.0006","16.0566","0.0005","90","","112.481","0.001","90","","4617.4","0.3","100","2","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H52 N2 Ni O6 S2 -","- C53 H52 N2 Ni O6 S2 -","- C212 H208 N8 Ni4 O24 S8 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0421","0.0418","","","0.1068","0.1072","","","","","","1.049","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510037","10.1443","0.0004","10.6795","0.0005","11.1867","0.0005","89.583","0.002","69.987","0.002","83.908","0.002","1131.76","0.09","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H32 N Ni O3 P S -","- C22 H32 N Ni O3 P S -","- C44 H64 N2 Ni2 O6 P2 S2 -","2","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","0.71073","MoKα","","0.0689","0.0406","","","0.0849","0.0951","","","","","","1.029","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510383","8.8426","0.0004","7.5945","0.0004","12.9242","0.0006","90","","90.186","0.004","90","","867.92","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 O4 P -","- C19 H17 O4 P -","- C38 H34 O8 P2 -","2","1","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.0891","0.045","","","0.0977","0.1159","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510384","10.228","0.0002","20.6215","0.0005","21.8081","0.0005","90","","90","","90","","4599.69","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 O2 P -","- C29 H21 O2 P -","- C232 H168 O16 P8 -","8","2","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.075","0.0405","","","0.0816","0.095","","","","","","1","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510477","10.6617","0.0003","24.3076","0.0007","15.0889","0.0003","90","","90.1235","0.0005","90","","3910.44","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((3-phenylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C36 H39 F6 Mn N4 O6.5 S2 -","- C36 H39 F6 Mn N4 O6.5 S2 -","- C144 H156 F24 Mn4 N16 O26 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0464","0.0404","","","0.1048","0.108","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510478","9.6677","0.0002","15.7748","0.0004","11.2312","0.0003","90","","105.41","0.001","90","","1651.25","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis(isoquinolin-3-ylmethyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H30 F6 Mn N4 O6 S2 -","- C30 H30 F6 Mn N4 O6 S2 -","- C60 H60 F12 Mn2 N8 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","1.54178","CuKα","","0.0216","0.0214","","","0.0561","0.0562","","","","","","1.056","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510479","17.4006","0.0007","17.4254","0.0008","11.0395","0.0005","90","","90","","90","","3347.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","(2S,2'S)-1,1'-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C28 H38 F6 Mn N4 O8 S2 -","- C28 H38 F6 Mn N4 O8 S2 -","- C112 H152 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.054","0.0529","","","0.1396","0.1407","","","","","","1.118","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510480","32.4626","0.0012","32.4626","0.0012","32.4626","0.0012","90","","90","","90","","34210","2","150","2","150","2","","","","","","","","7","I 2 3","I 2 2 3","197","","(2S,2'S)-1,1'-bis((4-amino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C26 H36 F6 Mn N6 O6 S2 -","- C25.5 H32 F4.5 Mn N6 O5 S2 -","- C612 H768 F108 Mn24 N144 O120 S48 -","24","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.1646","0.1464","","","0.3904","0.4224","","","","","","2.157","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510481","8.6096","0.0002","19.9107","0.0005","11.0566","0.0003","90","","110.506","0.0008","90","","1775.26","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((4-dimethylamino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H44 F6 Mn N6 O6 S2 -","- C30 H44 F6 Mn N6 O6 S2 -","- C60 H88 F12 Mn2 N12 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0328","0.0314","","","0.0837","0.0847","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510813","15.433","0.002","29.985","0.005","15.798","0.002","90","","119.094","0.008","90","","6388.2","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C230 H192 Cl50 N16 O16 Pd8 Ru4 S8 -","2","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","0.71073","MoKα","","0.1074","0.0835","","","0.1896","0.2032","","","","","","1.065","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510814","11.5116","0.0005","13.6607","0.0006","39.4718","0.0017","90","","90","","90","","6207.2","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C260 H224 Cl16 N16 O16 Pd8 Ru8 S8 -","4","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","1.54178","CuKα","","0.0354","0.0339","","","0.0855","0.0863","","","","","","1.042","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510835","10.3322","0.0004","10.5059","0.0005","10.5715","0.0005","90","","90","","90","","1147.53","0.09","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 Rh -","- C11 H18 N O2 Rh -","- C44 H72 N4 O8 Rh4 -","4","1","","Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer","ACS Catalysis","2012","2","2","246","","10.1021/cs200607s","","","0.71073","MoKα","","0.03","0.0254","","0.0454","0.0442","0.0454","","","1.082","","","1.082","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510836","32.151","0.004","9.3724","0.001","19.869","0.003","90","","107.394","0.009","90","","5713.4","1.3","208","2","208","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H38 P Rh -","- C35 H38 P Rh -","- C280 H304 P8 Rh8 -","8","1","","Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer","ACS Catalysis","2012","2","2","246","","10.1021/cs200607s","","","0.71073","MoKα","","0.0502","0.0403","","0.094","0.0905","0.094","","","1.247","","","1.247","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510837","16.9808","0.0003","8.2512","0.0001","27.3173","0.0005","90","","122.317","0.001","90","","3234.62","0.1","293","2","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N2 Ru -","- C14 H22 Cl2 N2 Ru -","- C112 H176 Cl16 N16 Ru8 -","8","2","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","0.71073","MoKα","","0.0553","0.0333","","","0.09","0.128","","","","","","0.971","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510838","14.9645","0.0001","14.1657","0.0001","15.9196","0.0001","90","","90","","90","","3374.68","0.04","293","2","293","2","","","","","","","synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl2 N2 Ru -","- C17 H22 Cl2 N2 Ru -","- C136 H176 Cl16 N16 Ru8 -","8","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","1.54184","CuKα","","0.0218","0.0208","","","0.055","0.0556","","","","","","1.035","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510839","12.1026","0.0005","11.1887","0.0005","11.2215","0.0003","90","","93.417","0.002","90","","1516.83","0.1","293","2","293","2","","","","","","","synthesis","5","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl2 N2 Ru -","- C13 H20 Cl2 N2 Ru -","- C52 H80 Cl8 N8 Ru4 -","4","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","0.71073","MoKα","","0.0328","0.0293","","","0.0894","0.1032","","","","","","1.167","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510942","35.108","0.005","12.2811","0.0007","18.782","0.003","90","","140.71","0.03","90","","5128","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Br N3 Pd -","- C30 H28 Br N3 Pd -","- C240 H224 Br8 N24 Pd8 -","8","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions","ACS Catalysis","2014","4","6","2038","","10.1021/cs5003959","","","0.71073","MoKα","","0.0526","0.038","","","0.0956","0.1048","","","","","","1.066","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511609","14.6916","0.0003","19.3357","0.0003","12.8728","0.0003","90","","111.282","0.001","90","","3407.43","0.12","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C128 H136 Br2.24 Cl1.76 N20 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0201","0.0183","","","0.0445","0.0449","","","","","","1.046","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511610","10.2126","0.0003","12.2383","0.0003","16.6522","0.0004","96.359","0.001","100.516","0.002","101.949","0.001","1977.96","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H37 B F4 N6 O Ru -","- C34 H37 B F4 N6 O Ru -","- C68 H74 B2 F8 N12 O2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0262","0.0229","","","0.0583","0.0597","","","","","","1.039","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511611","21.7318","0.0006","11.4791","0.0003","30.4353","0.0007","90","","107.522","0.001","90","","7240.2","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 Br N6 O2 Ru -","- C35 H41 Br N6 O2 Ru -","- C280 H328 Br8 N48 O16 Ru8 -","8","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0291","0.0253","","","0.0593","0.0607","","","","","","1.103","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511612","13.7607","0.0004","17.3199","0.0005","18.3721","0.0005","90","","108.243","0.002","90","","4158.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Br N6 O Ru -","- C40 H49 Br N6 O Ru -","- C160 H196 Br4 N24 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0888","0.0554","","","0.1457","0.1622","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511613","18.358","0.0009","14.6031","0.0008","14.0683","0.0007","90","","93.583","0.003","90","","3764.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Br N6 O2 Ru -","- C40 H43 Br N6 O2 Ru -","- C160 H172 Br4 N24 O8 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.056","0.0369","","","0.0866","0.0942","","","","","","1.036","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511614","10.6089","0.0003","15.4581","0.0002","18.9255","0.0004","70.365","0.001","88.255","0.001","84.453","0.001","2909.49","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C120 H134 Br1.3 Cl0.7 N14 O2 P2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0356","0.0286","","","0.0672","0.0697","","","","","","1.045","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511615","8.6291","0.0004","15.0143","0.0006","16.9802","0.0007","88.131","0.002","88.041","0.002","86.19","0.002","2192.79","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N2 O3 P Ru -","- C21 H29 N2 O3 P Ru -","- C84 H116 N8 O12 P4 Ru4 -","4","2","","Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water","ACS Catalysis","2014","4","8","2649","","10.1021/cs500937f","","","0.71073","MoKα","","0.0738","0.041","","","0.079","0.0906","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511628","15.784","0.0009","10.3015","0.0005","19.7923","0.0009","90","","90.938","0.004","90","","3217.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N O6 P Pd S -","- C31 H34 N O6 P Pd S -","- C124 H136 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0954","0.0761","","","0.2061","0.2189","","","","","","1.066","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511629","9.5988","0.0005","8.6559","0.0003","29.9833","0.0016","90","","106.094","0.004","90","","2393.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N O5 P Pd S -","- C26 H26 N O5 P Pd S -","- C104 H104 N4 O20 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0463","0.0344","","","0.0852","0.0901","","","","","","1.042","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511630","9.6353","0.0006","10.7338","0.0006","13.7048","0.0008","103.819","0.005","93.508","0.005","106.9","0.004","1303.85","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","1","0.5","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0388","0.0308","","","0.0683","0.0719","","","","","","1.069","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511631","13.7944","0.0007","9.9669","0.0003","22.1792","0.001","90","","120.694","0.003","90","","2622.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N O6 P Pd S -","- C27 H28 N O6 P Pd S -","- C108 H112 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0492","0.0393","","","0.0857","0.0892","","","","","","1.092","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511643","6.384","0.003","11.747","0.005","17.072","0.007","90","","90","","90","","1280.3","1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br F3 O2 -","- C13 H10 Br F3 O2 -","- C52 H40 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0409","","","","0.0977","","","","","","0.771","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511644","8.1604","0.0015","9.5399","0.0018","9.6845","0.0018","90","","109.041","0.008","90","","712.7","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C28 H24 Br2 F6 O4 -","2","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0464","","","","0.117","","","","","","0.911","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511645","6.043","0.0007","7.8416","0.0009","29.273","0.004","90","","90","","90","","1387.2","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br F3 O2 -","- C13 H14 Br F3 O2 -","- C52 H56 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0682","","","","0.1435","","","","","","1.033","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511667","8.2619","0.0019","7.6594","0.0017","12.583","0.003","90","","99.974","0.004","90","","784.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 I N O -","- C19 H12 I N O -","- C38 H24 I2 N2 O2 -","2","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","Pd(II)-Catalyzed Intermolecular Direct C‒H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution","ACS Catalysis","2014","4","8","2741","","10.1021/cs500813z","","","0.71073","MoKα","","0.0266","0.0249","","","0.0625","0.0638","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511670","23.4392","0.0007","12.8809","0.0003","20.9819","0.0006","90","","108.654","0.003","90","","6002","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H70 Cl10 N4 Ru2 -","- C56 H70 Cl10 N4 Ru2 -","- C224 H280 Cl40 N16 Ru8 -","4","0.5","","Gonell, Sergio; Peris, Eduardo","Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines","ACS Catalysis","2014","4","8","2811","","10.1021/cs500735u","","","1.54184","CuKα","","0.0808","0.0635","","","0.1794","0.1913","","","","","","1.069","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511774","11.354","0.004","14.53","0.005","14.976","0.006","90","","90","","90","","2470.6","1.6","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N Ni P2 -","- C22 H42 Cl N Ni P2 -","- C88 H168 Cl4 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0712","0.0578","","","0.1188","0.1314","","","","","","1.035","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511775","18.924","0.003","18.924","0.003","19.322","0.003","90","","90","","90","","6919.6","1.9","98","2","98","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C36 H56 N2 Ni P2 -","- C36 H56 N2 Ni P2 -","- C288 H448 N16 Ni8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0342","0.0332","","","0.0819","0.0825","","","","","","1.025","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511776","18.927","0.003","18.927","0.003","19.275","0.003","90","","90","","90","","6904.9","1.9","98","2","98","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C36 H55 N Ni O P2 -","- C36 H55 N Ni O P2 -","- C288 H440 N8 Ni8 O8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.042","0.039","","","0.0929","0.0953","","","","","","1.014","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511777","14.1636","0.0008","11.3071","0.0005","18.0536","0.0012","90","","90.216","0.006","90","","2891.2","0.3","98","2","98","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H31 N Ni O P2 -","- C36 H31 N Ni O P2 -","- C144 H124 N4 Ni4 O4 P8 -","4","2","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0397","0.0349","","","0.0857","0.0883","","","","","","1.034","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511778","11.218","0.004","17.049","0.006","20.543","0.008","90","","103.831","0.006","90","","3815","2","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 N Ni P2 S -","- C42 H61 N Ni P2 S -","- C168 H244 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0738","0.0585","","","0.1295","0.1434","","","","","","1.018","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511779","10.107","0.004","17.521","0.008","17.023","0.007","90","","90","","90","","3015","2","98","2","98","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H31 N Ni P2 S -","- C36 H31 N Ni P2 S -","- C144 H124 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0563","0.0473","","","0.0963","0.1045","","","","","","1.028","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511780","10.3866","0.0011","18.0201","0.0018","15.5109","0.0015","90","","92.576","0.007","90","","2900.2","0.5","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C120 H187.2 Cl0.8 N4 Ni4 O3.2 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0675","0.0562","","","0.1199","0.126","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511781","10.2239","0.0008","18.5337","0.0015","15.7104","0.0012","90","","91.024","0.001","90","","2976.4","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N Ni P2 S -","- C30 H51 N Ni P2 S -","- C120 H204 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0376","0.0352","","","0.0929","0.095","","","","","","1.004","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511782","12.2559","0.0007","15.9677","0.0009","19.9262","0.001","90","","102.37","0.002","90","","3809","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni(dcpe)2CH3CN2","","","- C32 H57 B2 F8 N3 Ni P2 -","- C32 H57 B2 F8 N3 Ni P2 -","- C128 H228 B8 F32 N12 Ni4 P8 -","4","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0484","0.0388","","","0.0973","0.1031","","","","","","1.032","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511783","10.6454","0.0009","10.5867","0.0009","17.3734","0.0015","90","","90.393","0.005","90","","1957.9","0.3","140","","140","","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ni(PtBu2NtBu2)(CH3CN)2](BF4)2","","- C26 H53 B2 F8 N5 Ni P2 -","- C26 H53 B2 F8 N5 Ni P2 -","- C52 H106 B4 F16 N10 Ni2 P4 -","2","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0849","0.0766","","","0.2093","0.2164","","","","","","1.077","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511784","14.8297","0.0008","11.6379","0.0006","43.244","0.002","90","","92.88","0.002","90","","7453.9","0.7","100","","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","[HNi(PtBu2NPh2)](BF4)","","- C148 H222 B3 F12 N14 Ni3 P12 -","- C148 H222 B3 F12 N14 Ni3 P12 -","- C296 H444 B6 F24 N28 Ni6 P24 -","2","0.5","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0691","0.0405","","","0.0805","0.0903","","","","","","1.011","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511901","15.2261","0.0005","11.1905","0.0004","17.3055","0.0006","90","","90","","90","","2948.64","0.18","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H40 Cl Ir P2 -","- C32 H40 Cl Ir P2 -","- C128 H160 Cl4 Ir4 P8 -","4","1","","Bézier, David; Brookhart, Maurice","Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes","ACS Catalysis","2014","4","10","3411","","10.1021/cs500892p","","","1.54178","CuKα","","0.0163","0.0161","","","0.0372","0.0373","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511978","18.0562","0.0008","14.0451","0.0007","22.0832","0.0009","90","","113.61","0.002","90","","5131.5","0.4","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H74 O P4 Pd2 S4 -","- C46 H74 O P4 Pd2 S4 -","- C184 H296 O4 P16 Pd8 S16 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0462","0.0335","","","0.104","0.1294","","","","","","1.102","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511979","10.2156","0.0003","16.2747","0.0005","26.6821","0.0008","91.603","0.001","90.239","0.002","103.725","0.001","4307.4","0.2","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C150 H276 Cl8 N4 P8 Pd4 S8 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0394","0.031","","","0.0703","0.0752","","","","","","1.061","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511980","10.209","0.0002","11.5382","0.0002","15.259","0.0011","72.37","0.005","89.09","0.006","66.272","0.005","1556.57","0.15","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","2","","Mbofana, Curren T.; Miller, Scott J.","Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives","ACS Catalysis","2014","4","10","3671","","10.1021/cs501117h","","","1.54187","CuKα","","0.041","0.0377","","","0.0991","0.1027","","","","","","1.075","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511983","12.7463","0.0005","15.5086","0.0007","13.5727","0.0006","90","","109.429","0.001","90","","2530.23","0.19","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 F3 O4 P4 Rh S -","- C59 H60 F3 O4 P4 Rh S -","- C118 H120 F6 O8 P8 Rh2 S2 -","2","0.5","","Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.","The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts","ACS Catalysis","2014","","","140903144432009","","10.1021/cs5009199","","","0.71073","MoKα","","0.0396","0.0287","","","0.065","0.0696","","","","","","1.03","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511984","12.4663","0.0014","47.636","0.005","42.394","0.005","90","","91.499","0.004","90","","25167","5","140","2","140.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H70.875 F3 N2 O9.125 P4 Rh S -","- C65.5 H71.0001 F3 N2 O9.125 P4 Rh S -","- C1048 H1136 F48 N32 O146 P64 Rh16 S16 -","16","4","","Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.","The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts","ACS Catalysis","2014","","","140903144432009","","10.1021/cs5009199","","","0.71073","MoKα","","0.0966","0.0598","","","0.1118","0.1237","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511985","11.1175","0.001","13.2349","0.0011","18.044","0.0016","93.743","0.004","95.848","0.005","109.218","0.004","2480.1","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","Rh(PNMeP)(OTf)2","","- C55 H54 F3 N2 O3 P4 Rh S -","- C55 H54 F3 N2 O3 P4 Rh S -","- C110 H108 F6 N4 O6 P8 Rh2 S2 -","2","1","","Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.","The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts","ACS Catalysis","2014","","","140903144432009","","10.1021/cs5009199","","","0.71073","MoKα","","0.0643","0.0384","","","0.0771","0.0851","","","","","","1.023","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511995","8.8946","0.0019","9.599","0.002","14.595","0.003","105.46","0.006","94.446","0.006","114.78","0.006","1064.6","0.4","143","","143.15","","","","","","","","","5","P -1","-P 1","2","","[VerkadesH][HCO3]","","- C16 H39 N4 O5 P -","- C16 H39 N4 O5 P -","- C32 H78 N8 O10 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.1368","0.0684","","","0.1579","0.1909","","","","","","1.033","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511996","9.492","0.0008","10.0652","0.0009","11.6878","0.001","72.135","0.002","84.493","0.003","64.509","0.002","958.49","0.14","145","","145","","","","","","","","","5","P -1","-P 1","2","","[VerkaedeH][Formate)","","- C16 H35 N4 O2 P -","- C16 H35 N4 O2 P -","- C32 H70 N8 O4 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.065","0.0448","","","0.1109","0.1222","","","","","","1.021","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4512057","9.64383","0.00015","5.51183","0.00007","14.44803","0.00018","90","","95.6537","0.0013","90","","764.251","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.5418","CuKα","","0.0274","0.0271","","","0.0703","0.0705","","","","","","1.065","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512058","12.0622","0.0003","9.18339","0.00018","13.6306","0.0003","90","","94.3","0.002","90","","1505.64","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C70 H108 O4 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.54184","CuKα","","0.0549","0.0474","","","0.1138","0.1222","","","","","","1.025","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512105","11.7801","0.0007","14.2655","0.0008","17.1787","0.001","88.278","0.001","80.64","0.001","69.608","0.001","2668.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H31 Cl Ir N2 O2 P -","- C44 H31 Cl Ir N2 O2 P -","- C88 H62 Cl2 Ir2 N4 O4 P2 -","2","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0408","0.0351","","","0.1125","0.1172","","","","","","1.068","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512106","9.2237","0.001","23.848","0.003","16.3363","0.0017","90","","103.348","0.002","90","","3496.4","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl Ir N2 O2 P -","- C38 H43 Cl Ir N2 O2 P -","- C152 H172 Cl4 Ir4 N8 O8 P4 -","4","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0834","0.0504","","","0.1067","0.1212","","","","","","1.031","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512210","11.8005","0.0006","12.088","0.0006","18.1433","0.001","101.21","0.002","93.076","0.002","105.213","0.002","2434.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H51 B Cl6 Cu N7 O -","- C46 H51 B Cl6 Cu N7 O -","- C92 H102 B2 Cl12 Cu2 N14 O2 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0634","0.0498","","","0.1445","0.1553","","","","","","1.035","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512211","11.1605","0.0003","13.8447","0.0004","19.6313","0.0004","83.707","0.002","80.497","0.001","79.114","0.002","2928.2","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16.5 H7 B Br9 Cl Cu N7 S -","- C16.5 H7 B Br9 Cl Cu N7 S -","- C66 H28 B4 Br36 Cl4 Cu4 N28 S4 -","4","2","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.074","0.0388","","","0.0653","0.0731","","","","","","1.009","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512212","7.9337","0.0003","8.6976","0.0003","11.8982","0.0005","110.549","0.002","102.752","0.002","93.549","0.003","741.04","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0532","0.0431","","","0.1031","0.1092","","","","","","1.041","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512224","24.481","0.004","13.201","0.002","20.184","0.003","90","","93.847","0.002","90","","6508.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl N4 Rh -","- C34 H46 Cl N4 Rh -","- C272 H368 Cl8 N32 Rh8 -","8","2","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0719","0.0468","","","0.0802","0.0892","","","","","","1.094","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512225","15.579","0.0011","13.803","0.001","18.6728","0.0013","90","","112.173","0.001","90","","3718.4","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cl N5 Rh -","- C39 H51 Cl N5 Rh -","- C156 H204 Cl4 N20 Rh4 -","4","1","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0499","0.0387","","","0.07","0.0748","","","","","","1.077","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512242","10.08","0.002","20.648","0.004","13.183","0.003","90","","107.503","0.003","90","","2616.8","0.9","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N3 O7 S2 -","- C26 H27 N3 O7 S2 -","- C104 H108 N12 O28 S8 -","4","2","","Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi","Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand","ACS Catalysis","2014","4","12","4304","","10.1021/cs501369z","","","0.71075","MoKα","","0.0807","0.0475","","","0.105","0.1308","","","","","","0.963","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512275","5.8543","0.0005","22.954","0.003","8.9509","0.0009","90","","96.206","0.004","90","","1195.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0379","0.0304","","","0.0829","0.1085","","","","","","1.174","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512276","5.8215","0.0003","8.3087","0.0004","33.2148","0.0016","90","","94.567","0.001","90","","1601.47","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0744","0.0486","","","0.1119","0.1252","","","","","","1.017","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512277","12.7973","0.0006","6.1187","0.0002","16.9311","0.0008","90","","101.782","0.002","90","","1297.82","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0563","0.04","","","0.1181","0.1443","","","","","","1.117","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512454","5.4051","0.0006","35.529","0.004","16.8799","0.0019","90","","99.541","0.008","90","","3196.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","2","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","1.54178","CuKα","","0.0808","0.063","","","0.1659","0.1835","","","","","","1.062","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512455","5.1067","0.0002","11.928","0.0004","15.558","0.0005","90","","96.711","0.002","90","","941.19","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","0.71073","MoKα","","0.0505","0.0364","","","0.075","0.0795","","","","","","1.062","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512456","12.878","0.017","15.68","0.02","19.97","0.03","90","","90","","90","","4032","10","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F4 N O4 -","- C22 H19 F4 N O4 -","- C176 H152 F32 N8 O32 -","8","2","","Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M.","Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent","ACS Catalysis","2015","5","1","336","","10.1021/cs501744e","","x-ray","1.54178","CuKα","","0.0238","0.0233","","","0.0603","0.0605","","","","","","1.061","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512457","28.443","0.002","8.4569","0.0007","22.9631","0.0016","90","","107.39","0.009","90","","5271.1","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C176 H220 Cl16 N28 Ni8 O64 P8 -","8","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.0632","0.0574","","","0.1643","0.1696","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512458","8.7289","0.0007","8.7999","0.0007","13.9708","0.0011","93.47","0.007","106.608","0.007","93.681","0.007","1022.76","0.15","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H25 Cl2 N3 Ni O8 S -","- C15 H25 Cl2 N3 Ni O8 S -","- C30 H50 Cl4 N6 Ni2 O16 S2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.0489","0.0473","","","0.1251","0.1263","","","","","","1.034","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512459","8.0156","0.0005","12.2115","0.0008","19.7215","0.0012","91.373","0.005","99.117","0.005","93.388","0.005","1901.6","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C60 H84 Cl8 N12 Ni4 O16 S4 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.071","0.0637","","","0.1661","0.1709","","","","","","1.091","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512460","9.3883","0.0004","13.0308","0.0006","13.093","0.0006","79.943","0.004","89.364","0.004","73.953","0.004","1514.52","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cl2 N3 Ni O9 P -","- C24 H36 Cl2 N3 Ni O9 P -","- C48 H72 Cl4 N6 Ni2 O18 P2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.1195","0.1106","","","0.2796","0.2828","","","","","","1.114","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512489","16.847","0.0003","13.0275","0.0002","16.3223","0.0012","90","","96.25","0.007","90","","3561","0.3","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br Fe N5 -","- C20 H16 Br Fe N5 -","- C160 H128 Br8 Fe8 N40 -","8","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0398","0.039","","","0.1091","0.1097","","","","","","1.099","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512490","8.4756","0.0002","8.8071","0.0003","18.6806","0.0013","99.732","0.007","90.796","0.006","112.598","0.008","1264.06","0.13","85","2","85","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H24 F3 Fe N5 O4 S -","- C25 H24 F3 Fe N5 O4 S -","- C50 H48 F6 Fe2 N10 O8 S2 -","2","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0788","0.0735","","","0.2118","0.2194","","","","","","1.155","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512491","10.7036","0.0002","12.1278","0.0002","12.2733","0.0009","66.351","0.005","73.133","0.005","69.747","0.005","1347.8","0.12","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 F6 Fe N5 O6 S2 -","- C23 H19 F6 Fe N5 O6 S2 -","- C46 H38 F12 Fe2 N10 O12 S4 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0365","0.0362","","","0.0962","0.0965","","","","","","1.037","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512510","12.089","0.0019","9.0476","0.0014","36.982","0.006","90","","91.534","0.002","90","","4043.5","1.1","177","2","177","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 F3 N3 O7 P Re S -","- C39.999 H35.998 Cl1.998 F3 N3 O7 P Re S -","- C159.996 H143.992 Cl7.992 F12 N12 O28 P4 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","0.71073","MoKα","","0.0266","0.0214","","","0.0498","0.0522","","","","","","1.03","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512511","11.209","0.0004","11.6194","0.0004","37.5809","0.0014","90","","90","","90","","4894.6","0.3","183","","183","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H46 F3 N2 O7 P2 Re S -","- C55 H46 F3 N2 O7 P2 Re S -","- C220 H184 F12 N8 O28 P8 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","1.54178","CuKα","","0.0348","0.0329","","","0.0825","0.0843","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4512512","17.8016","0.0002","12.0498","0.0002","18.7953","0.0002","90","","117.63","0.001","90","","3571.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Co N3 Si -","- C37 H56 Co N3 Si -","- C148 H224 Co4 N12 Si4 -","4","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54178","CuKα","","0.0282","0.0257","","","0.0625","0.0638","","","","","","1.032","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512513","16.1764","0.0011","9.2233","0.0005","18.8751","0.0012","90","","92.623","0.002","90","","2813.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N2 -","- C31 H45 Co N2 -","- C124 H180 Co4 N8 -","4","0.5","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0809","0.0648","","","0.162","0.1766","","","","","","1.062","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512514","38.978","0.005","10.046","0.005","18.259","0.005","90","0.005","104.3","0.005","90","0.005","6928","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 Co N2 -","- C38 H57 Co N2 -","- C304 H456 Co8 N16 -","8","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0396","0.0327","","","0.0815","0.0856","","","","","","1.053","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512515","11.086","0.005","19.096","0.005","16.774","0.005","90","","94.52","0.005","90","","3540","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Co N3 Si -","- C19 H22 Co N3 Si -","- C152 H176 Co8 N24 Si8 -","8","2","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54184","CuKα","","0.1014","0.0698","","","0.1698","0.1918","","","","","","1.043","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512516","31.103","0.003","31.103","0.003","9.4729","0.0012","90","","90","","120","","7936.3","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H21 Cl Co N2 Si -","- C14 H21 Cl Co N2 Si -","- C252 H378 Cl18 Co18 N36 Si18 -","18","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0431","0.0374","","","0.0901","0.0943","","","","","","1.04","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512529","13.869","0.0002","16.834","0.0002","16.985","0.0002","90","","90","","90","","3965.5","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H40 F4 N3 O P Ru -","- C45 H40 F4 N3 O P Ru -","- C180 H160 F16 N12 O4 P4 Ru4 -","4","1","","McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K.","Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage","ACS Catalysis","2015","5","2","776","","10.1021/cs501644r","","","0.71073","MoKα","","0.0337","0.0279","","","0.061","0.0635","","","","","","1.063","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512584","16.1973","0.0014","9.2551","0.0007","18.251","0.002","90","","90","","90","","2736","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H20 Cl N3 Ni -","- C12 H20 Cl N3 Ni -","- C96 H160 Cl8 N24 Ni8 -","8","2","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.056","0.0367","","","0.0595","0.0651","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512585","9.7694","0.0008","14.6639","0.0017","12.8939","0.0012","90","","100.806","0.007","90","","1814.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 Ni -","- C20 H25 N3 Ni -","- C80 H100 N12 Ni4 -","4","1","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.0868","0.0566","","","0.1115","0.1242","","","","","","1.267","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512586","14.7034","0.0006","15.3502","0.0007","30.5317","0.0013","81.607","0.004","77.192","0.004","79.041","0.004","6558.1","0.5","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C144 H154 B2 Fe3 O13 P8 -","- C144 H134 B2 Fe3 O13 P8 -","- C288 H268 B4 Fe6 O26 P16 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1915","0.0928","","","0.2255","0.286","","","","","","0.988","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512587","11.3961","0.0004","11.8042","0.0004","14.9611","0.0004","88.014","0.002","81.462","0.002","63.904","0.003","1786.33","0.11","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C42 H44 Fe P4 -","- C42 H44 Fe P4 -","- C84 H88 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.0467","0.0362","","","0.0882","0.0985","","","","","","0.976","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512588","11.6311","0.0004","12.2422","0.0004","18.0737","0.0003","104.224","0.003","98.681","0.003","106.392","0.003","2325.12","0.14","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C49 H58 B F4 Fe N P4 -","- C49 H46 B F4 Fe N P4 -","- C98 H92 B2 F8 Fe2 N2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1261","0.1003","","","0.272","0.2994","","","","","","1.083","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512589","12.4918","0.0006","13.5351","0.0007","19.2058","0.0009","92.091","0.004","105.612","0.004","94.273","0.004","3113.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H63 B Fe P4 -","- C66 H63 B Fe P4 -","- C132 H126 B2 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71073","MoKα","","0.08","0.0551","","","0.1512","0.1659","","","","","","1.028","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512590","33.6116","0.0014","14.8734","0.0008","20.7957","0.001","90","","105.833","0.004","90","","10001.7","0.9","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H117 B4 F16 Fe2 N7 P8 -","- C103 H114 B4 F16 Fe2 N7 P8 -","- C412 H456 B16 F64 Fe8 N28 P32 -","4","0.5","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71069","MoKα","","0.1202","0.0771","","","0.2044","0.2393","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512815","9.2602","0.0007","20.7179","0.0014","14.2353","0.0011","90","","97.2","0.002","90","","2709.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(7PPh2NDPM1)2](BF4)2","","","- C58 H58 B2 F8 N2 Ni P4 -","- C58 H58 B2 F8 N2 Ni P4 -","- C116 H116 B4 F16 N4 Ni2 P8 -","2","0.5","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.085","0.0526","","","0.1277","0.1435","","","","","","1.019","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512816","10.3197","0.0002","13.2465","0.0003","19.7249","0.0005","94.91","0.001","101.046","0.001","109.554","0.001","2460.92","0.1","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C76 H88 B4 Cl8 F28 N4 Ni2 O8 P8 -","2","1","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.1214","0.0725","","","0.1828","0.2114","","","","","","1.021","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512822","9.5673","0.0004","12.0514","0.0004","12.4802","0.0005","85.896","0.003","77.575","0.003","73.572","0.003","1347.8","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 B2 N2 O2 -","- C31 H32 B2 N2 O2 -","- C62 H64 B4 N4 O4 -","2","1","","Guo, Xi; Nelson, Amanda K.; Slebodnick, Carla; Santos, Webster L.","Regio- and Chemoselective Diboration of Allenes with Unsymmetrical Diboron: Formation of Vinyl and Allyl Boronic Acid Derivatives","ACS Catalysis","2015","","","2172","","10.1021/acscatal.5b00387","","x-ray","0.71073","MoKα","K-L~3~","0.0661","0.0485","","","0.1204","0.1344","","","","","","1.038","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512852","16.9742","0.0009","17.1155","0.0008","50.282","0.003","90","","90","","90","","14608","1.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H81 F12 Fe2 N9 O18 S4 -","- C58 H81 F12 Fe2 N9 O18 S4 -","- C464 H648 F96 Fe16 N72 O144 S32 -","8","2","","Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P.","EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes","ACS Catalysis","2015","5","5","2702","","10.1021/acscatal.5b00169","","x-ray","0.71073","MoKα","","0.0752","0.0644","","","0.1604","0.1657","","","","","","1.052","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512854","9.4555","0.0015","12.671","0.002","13.141","0.002","89.372","0.007","83.024","0.008","70.301","0.007","1470.6","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 F3 N2 O4 S -","- C31 H27 F3 N2 O4 S -","- C62 H54 F6 N4 O8 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.2602","0.169","","","0.4462","0.4905","","","","","","1.644","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512855","10.6172","0.0005","12.7911","0.0007","14.6372","0.0007","102.793","0.004","106.868","0.003","96.17","0.004","1823.39","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 F3 N2 O3 S -","- C45 H31 F3 N2 O3 S -","- C90 H62 F6 N4 O6 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.1744","0.1189","","","0.3443","0.4055","","","","","","1.337","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512856","12.301","0.005","5.883","0.002","8.098","0.003","90","","95.547","0.008","90","","583.3","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eisad02","","","- C12 H10 N2 Ni S2 -","- C12 H10 N2 Ni S2 -","- C24 H20 N4 Ni2 S4 -","2","0.5","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1129","0.0655","","","0.1376","0.1596","","","","","","1.036","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512857","8.3237","0.0012","11.0567","0.0016","15.928","0.002","92.197","0.003","99.883","0.003","94.145","0.003","1438.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","eisad03","","","- C20 H36 N2 Ni O4 S6 -","- C20 H36 N2 Ni O4 S6 -","- C40 H72 N4 Ni2 O8 S12 -","2","1","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1182","0.0839","","","0.2434","0.2689","","","","","","1.068","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512930","9.8502","0.0008","13.6853","0.0011","16.4912","0.0013","90","","90","","90","","2223.1","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","","Bae, Han Yong; Song, Choong Eui","Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes","ACS Catalysis","2015","5","6","3613","","10.1021/acscatal.5b00685","","","0.71073","MoKα","","0.0985","0.0635","","","0.16","0.1974","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512945","10.795","0.0002","12.6416","0.0004","14.6957","0.0004","65.979","0.003","89.9734","0.0019","71.994","0.002","1723.83","0.09","110","0.14","110","0.14","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Br Co N2 O2 -","- C36 H52 Br Co N2 O2 -","- C72 H104 Br2 Co2 N4 O4 -","2","2","","North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao","Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling","ACS Catalysis","2015","5","6","3398","","10.1021/acscatal.5b00235","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.081","0.0845","","","","","","1.025","","","","has coordinates,has disorder","154538","2020-10-21","18:00:00",""
"4512946","8.167","0.004","8.306","0.005","10.825","0.006","91.64","0.012","99.308","0.012","92.741","0.011","723.3","0.7","297","1","297","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C32 H24 F6 N2 O4 -","2","1","","Albaladejo, María José; Alonso, Francisco; González-Soria, María José","Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones","ACS Catalysis","2015","5","6","3446","","10.1021/acscatal.5b00417","","","0.71073","MoKα","","0.0805","0.0497","","","0.1452","0.1699","","","","","","1.008","","","","has coordinates,has disorder","140056","2020-10-21","18:00:00",""
"4512947","13.234","0.003","17.661","0.004","20.966","0.004","90","","93.12","0.03","90","","4893","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","1","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0602","0.0401","","","0.0985","0.1096","","","","","","1.081","","","","has coordinates,has disorder","140058","2020-10-21","18:00:00",""
"4512948","16.187","0.003","19.43","0.004","14.641","0.003","90","","90","","90","","4604.8","1.6","120","2","120","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Bi2 Na4 O98.55 W18 Zn6 -","- Bi2 Na4 O98.56 W18 Zn6 -","- Bi4 Na8 O197.12 W36 Zn12 -","2","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0499","0.0423","","","0.1119","0.1153","","","","","","1.063","","","","has coordinates","140058","2020-10-21","18:00:00",""
"4513027","7.2425","0.0008","15.4541","0.0017","17.01","0.0018","90","","90","","90","","1903.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing","Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles","ACS Catalysis","2015","5","6","3700","","10.1021/acscatal.5b00680","","","0.71073","MoKα","","0.0515","0.0378","","","0.0836","0.0885","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513028","9.4814","0.0008","10.765","0.0009","13.9827","0.0011","111.406","0.002","92.343","0.002","99.301","0.002","1303.49","0.19","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H B Br3 F18 N6 Tl -","- C15 H B Br3 F18 N6 Tl -","- C30 H2 B2 Br6 F36 N12 Tl2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0451","0.042","","","0.1142","0.1165","","","","","","1.032","","","","has coordinates","140055","2020-10-21","18:00:00",""
"4513029","21.9569","0.0012","16.6067","0.001","17.0174","0.0009","90","","105.863","0.002","90","","5968.8","0.6","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H4 B Br3 Cu F18 N7 -","- C17 H4 B Br3 Cu F18 N7 -","- C136 H32 B8 Br24 Cu8 F144 N56 -","8","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0975","0.0611","","","0.1705","0.1895","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513030","9.5396","0.0011","12.6988","0.0015","12.9452","0.0016","100.867","0.003","94.371","0.003","98.592","0.003","1514","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H9 Ag B Br3 F18 N6 O -","- C19 H9 Ag B Br3 F18 N6 O -","- C38 H18 Ag2 B2 Br6 F36 N12 O2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0912","0.0626","","","0.1352","0.2075","","","","","","1.081","","","","has coordinates","140055","2020-10-21","18:00:00",""
"4513043","8.7507","0.0006","10.3497","0.0005","14.1618","0.0009","79.212","0.004","73.228","0.005","77.234","0.005","1187.17","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N4 O5 Ru S -","- C24 H20 N4 O5 Ru S -","- C48 H40 N8 O10 Ru2 S2 -","2","1","","Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G.","Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex","ACS Catalysis","2015","5","7","3966","","10.1021/acscatal.5b00496","","","0.71073","MoKα","","0.0752","0.0559","","","0.1382","0.1471","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513044","9.25","0.003","10.543","0.003","21.668","0.006","84.919","0.007","89.766","0.007","81.66","0.007","2082.5","1.1","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H57 Cl F N2 O3 P Ru -","- C45 H57 Cl F N2 O3 P Ru -","- C90 H114 Cl2 F2 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.057","","","","0.1536","","","","","","0.9","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513045","9.123","0.004","10.569","0.005","21.751","0.009","94.901","0.012","90.209","0.013","99.166","0.01","2062.6","1.6","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H57 F2 N2 O3 P Ru -","- C45 H57 F2 N2 O3 P Ru -","- C90 H114 F4 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.0601","","","","0.1718","","","","","","0.852","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513186","11.185","0.0012","12.2337","0.0012","15.712","0.0016","87.763","0.002","85.343","0.002","75.988","0.002","2078.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Cl F6 N2 P2 Ru -","- C49 H47 Cl F6 N2 P2 Ru -","- C98 H94 Cl2 F12 N4 P4 Ru2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0814","0.0556","","","0.1081","0.1178","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513187","18.524","0.005","15.304","0.004","14.862","0.004","90","","98.269","0.006","90","","4169.4","1.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H47 Cl F6 N2 P2 Ru -","- C45 H47 Cl F6 N2 P2 Ru -","- C180 H188 Cl4 F24 N8 P8 Ru4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0419","0.0399","","","0.0915","0.0927","","","","","","1.008","","","","has coordinates","140051","2020-10-21","18:00:00",""
"4513215","7.8373","0.0003","11.1807","0.0003","28.7574","0.0008","90","","90","","90","","2519.91","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 B Fe P -","- C32 H28 B Fe P -","- C128 H112 B4 Fe4 P4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.036","0.0316","","0.0368","0.0364","0.0364","","","","","","1.0497","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513216","8.4925","0.0003","18.0565","0.0005","21.7726","0.0007","90","","92.034","0.003","90","","3336.61","0.18","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 N -","- C20 H24.5 N -","- C160 H196 N8 -","8","4","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0984","0.0642","","0.0701","0.0507","0.0468","","","","","","1.1591","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513217","7.6079","0.0004","9.9255","0.0007","10.7036","0.0007","113.746","0.007","100.964","0.005","95.416","0.005","713.05","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H21 N -","- C18 H21 N -","- C36 H42 N2 -","2","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0678","0.0514","","0.062","0.0602","0.06","","","","","","1.0831","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513218","10.843","0.0004","12.6988","0.0004","15.1797","0.0005","90","","90","","90","","2090.14","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Fe N O -","- C25 H29 Fe N O -","- C100 H116 Fe4 N4 O4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71073","MoKα","","0.036","0.0309","","0.033","0.0324","0.0323","","","","","","1.0256","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513219","14.5165","0.0002","14.5165","0.0002","37.1387","0.001","90","","90","","90","","7826.2","0.3","293","","293","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C43 H38 N O3.5 P Pd S -","- C43 H38 N O3.5 P Pd S -","- C344 H304 N8 O28 P8 Pd8 S8 -","8","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0649","0.0523","","0.0505","0.0457","0.0442","","","","","","1.0811","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513383","12.3687","0.0005","12.3687","0.0005","44.436","0.002","90","","90","","90","","6798","0.5","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-2A","","","- C72 H78 N4 O11 Ti2 -","- C72 H78 N4 O11 Ti2 -","- C288 H312 N16 O44 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0429","0.0389","","","0.1084","0.1112","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513384","19.0457","0.0003","19.0457","0.0003","41.0671","0.0011","90","","90","","120","","12900.9","0.4","200","2","200","2","","","","","","","","5","P 31 2 1","P 31 2""","152","(R,R,SN-R,R,SN)-Ti-4A","","","- C76 H78 N4 O11 Ti2 -","- C76 H78 N4 O11 Ti2 -","- C456 H468 N24 O66 Ti12 -","6","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1148","0.0641","","","0.1676","0.1808","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513385","11.5315","0.0009","19.176","0.0015","13.4627","0.0011","90","","98.481","0.003","90","","2944.4","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","(/l,R,R,SN-/l,R,R,SN)-1B","","","- C65 H61 Cl3 N4 O6 Ti2 -","- C65 H61 Cl3 N4 O6 Ti2 -","- C130 H122 Cl6 N8 O12 Ti4 -","2","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1222","0.0657","","","0.1565","0.2103","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513386","12.2324","0.0004","12.2324","0.0004","45.9762","0.0016","90","","90","","90","","6879.5","0.4","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-Ti-3A","","","- C68 H66 Br4 N4 O7 Ti2 -","- C68 H66 Br4 N4 O7 Ti2 -","- C272 H264 Br16 N16 O28 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.042","0.0339","","","0.091","0.0934","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513387","13.8302","0.0005","15.4438","0.0005","16.7517","0.0006","108.353","0.001","90.647","0.001","116.089","0.001","3002.56","0.19","200","2","200","2","","","","","","","","6","P 1","P 1","1","(/l,R,R,SN-/l,R,R,SN)-Ti-3B","","","- C64 H56 Br4 N4 O6 Ti2 -","- C64 H56 Br4 N4 O6 Ti2 -","- C128 H112 Br8 N8 O12 Ti4 -","2","2","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0399","0.0314","","","0.086","0.0886","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513439","12.3766","0.0018","16.424","0.002","28.578","0.004","90","","90","","90","","5809.1","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H47 N4 O7 -","- C54 H47 N4 O7 -","- C216 H188 N16 O28 -","4","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.1916","0.082","","","0.1624","0.1748","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513440","10.202","0.004","7.487","0.003","11.933","0.005","90","","100.922","0.007","90","","895","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.0716","0.0363","","","0.0556","0.0618","","","","","","0.966","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513441","40.887","0.002","9.2404","0.0005","27.6197","0.0013","90","","131.709","0.002","90","","7790.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C352 H256 F48 N16 O48 S16 -","16","2","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.0722","0.044","","","0.1153","0.1494","","","","","","1.091","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513442","6.1068","0.0003","15.2343","0.0008","18.4646","0.001","90","","90","","90","","1717.81","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 B F4 N -","- C21 H16 B F4 N -","- C84 H64 B4 F16 N4 -","4","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.043","0.0354","","","0.1028","0.1317","","","","","","1.136","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513443","13.0833","0.0012","9.1095","0.0008","33.015","0.003","90","","91.371","0.002","90","","3933.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F6 N Sb -","- C21 H16 F6 N Sb -","- C168 H128 F48 N8 Sb8 -","8","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.03","0.0257","","","0.0674","0.0788","","","","","","1.202","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513454","15.9607","0.0008","15.9607","0.0008","5.4313","0.0001","90","","90","","90","","1383.59","0.1","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","","Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping","Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines","ACS Catalysis","2015","5","9","5026","","10.1021/acscatal.5b01283","","","0.71073","MoKα","","0.0375","0.0355","","","0.0914","0.0937","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513487","9.1636","0.0004","36.3601","0.0014","21.4472","0.001","90","","97.684","0.003","90","","7081.8","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Au N3 O2 -","- C38 H46 Au N3 O2 -","- C304 H368 Au8 N24 O16 -","8","2","","Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao","Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand","ACS Catalysis","2015","5","9","5135","","10.1021/acscatal.5b01335","","","0.71075","MoKα","","","0.067","","","","0.14","","","","","","1","","","","has coordinates","160478","2020-10-21","18:00:00",""
"4513497","10.2256","0.0008","13.2327","0.0009","15.2136","0.001","75.791","0.002","82.911","0.002","77.348","0.002","1941.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H14 Cl6 Cu F10 N5 O2 -","- C39 H14 Cl6 Cu F10 N5 O2 -","- C78 H28 Cl12 Cu2 F20 N10 O4 -","2","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0861","0.076","","","0.2091","0.2189","","","","","","1.073","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513498","13.6323","0.0004","13.187","0.0004","21.0645","0.0006","90","","105.96","0.001","90","","3640.78","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0816","0.0683","","","0.2017","0.2133","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513610","8.1602","0.0016","11.357","0.002","20.59","0.004","90","","90","","90","","1908.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0622","0.0502","","","0.1366","0.1478","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513611","6.0364","0.0009","17.033","0.003","10.4225","0.0016","90","","102.271","0.003","90","","1047.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0538","0.0395","","","0.0933","0.1006","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513656","27.301","0.0018","8.7461","0.0005","10.8469","0.0007","90","","96.239","0.007","90","","2574.7","0.3","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.06","0.0438","","","0.086","0.0966","","","","","","1.05","","","","has coordinates","159576","2020-10-21","18:00:00",""
"4513657","12.1813","0.0006","12.9222","0.0005","16.9425","0.0007","90","","90","","90","","2666.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.0995","0.0553","","","0.1001","0.12","","","","","","1","","","","has coordinates","159577","2020-10-21","18:00:00",""
"4513663","16.043","0.002","6.7774","0.001","27.121","0.004","90","","94.443","0.003","90","","2940","0.7","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Ag N2 -","- C32 H42 Ag N2 -","- C128 H168 Ag4 N8 -","4","0.5","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.0847","0.0536","","","0.1523","0.1716","","","","","","1.026","","","","has coordinates,has disorder","170774","2020-10-21","18:00:00",""
"4513664","30.342","0.004","14.1754","0.0017","27.882","0.003","90","","98.13","0.002","90","","11872","2","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Ag F2 N3 O3 -","- C32 H40 Ag F2 N3 O3 -","- C512 H640 Ag16 F32 N48 O48 -","16","2","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.1307","0.0561","","","0.1319","0.165","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513677","10.0194","0.0008","14.8755","0.0012","33.308","0.002","90","","90","","90","","4964.3","0.6","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cr N O4 P -","- C25 H28 Cr N O4 P -","- C200 H224 Cr8 N8 O32 P8 -","8","2","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.079","0.0527","","","0.1137","0.1274","","","","","","1.021","","","","has coordinates,has disorder","173567","2020-10-21","18:00:00",""
"4513678","11.79138","0.00014","14.69577","0.00018","16.3394","0.0002","90","","94.4771","0.0011","90","","2822.71","0.06","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cr N O4 P -","- C29 H36 Cr N O4 P -","- C116 H144 Cr4 N4 O16 P4 -","4","1","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.0367","0.031","","","0.0815","0.0853","","","","","","1.032","","","","has coordinates","173567","2020-10-21","18:00:00",""
"4513679","11.77","0.005","16.605","0.005","35.069","0.005","90","0.005","90","0.005","90","0.005","6854","4","290","2","290","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H38 Cl3 N P2 Pd S -","- C32 H38 Cl3 N P2 Pd S -","- C256 H304 Cl24 N8 P16 Pd8 S8 -","8","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0847","0.0505","","","0.1446","0.176","","","","","","1.096","","","","has coordinates","169971","2020-10-21","18:00:00",""
"4513680","12.1032","0.0005","15.8942","0.0005","16.1513","0.0007","90","","106.192","0.004","90","","2983.8","0.2","290","2","290","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H36 Cl N O P2 Pd -","- C31 H36 Cl N O P2 Pd -","- C124 H144 Cl4 N4 O4 P8 Pd4 -","4","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0469","0.0345","","","0.1019","0.1342","","","","","","1.053","","","","has coordinates","169972","2020-10-21","18:00:00",""
"4513735","8.6895","0.0004","9.8563","0.0006","30.266","0.002","90","","94.399","0.005","90","","2584.5","0.3","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 O2 -","- C29 H32 N2 O2 -","- C116 H128 N8 O8 -","4","1","","Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling","Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes","ACS Catalysis","2016","6","1","186","","10.1021/acscatal.5b01791","","","1.54184","CuKα","","0.0473","0.0383","","","0.0978","0.1038","","","","","","1.025","","","","has coordinates","175757","2020-10-21","18:00:00",""
"4513736","12.864","0.001","9.812","0.001","13.652","0.0009","90","","92.938","0.002","90","","1720.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0559","0.0514","","","0.1291","0.1359","","","","","","1.075","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513737","11.342","0.0014","6.528","0.0011","21.294","0.002","90","","95.503","0.002","90","","1569.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F5 N2 O2 -","- C18 H11 F5 N2 O2 -","- C72 H44 F20 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.71079","Synchrotron","","0.0494","0.0441","","","0.1116","0.1152","","","","","","1.059","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513738","7.784","0.005","10.507","0.003","11.117","0.003","106.154","0.005","96.466","0.008","97.82","0.02","854.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0558","0.0458","","","0.1127","0.118","","","","","","1.052","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513739","12.243","0.0011","7.246","0.0015","21.867","0.0019","90","","105.022","0.002","90","","1873.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C100 H76 F4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0795","0.0624","","","0.1529","0.165","","","","","","1.103","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513740","10.221","0.0009","6.258","0.001","24.249","0.002","90","","97.531","0.001","90","","1537.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C72 H60 Br4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0471","0.0437","","","0.1147","0.1172","","","","","","1.049","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513741","12.2626","0.0003","7.2788","0.0002","12.3394","0.0003","90","","104.51","0.002","90","","1066.25","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.57 H21.14 Cl1.13 N2 O2 -","- C25.568 H21.136 Cl1.136 N2 O2 -","- C51.136 H42.272 Cl2.272 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54184","CuKα","","0.0477","0.0383","","","0.0839","0.0882","","","","","","1.057","","","","has coordinates,has disorder","175758","2020-10-21","18:00:00",""
"4513742","5.238","0.002","12.589","0.002","11.597","0.003","90","","91.334","0.015","90","","764.5","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0378","0.0365","","","0.0982","0.1021","","","","","","1.061","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513743","8.6369","0.0003","26.751","0.0008","6.9978","0.0002","90","","106.79","0.001","90","","1547.89","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N3 -","- C18 H14 Br N3 -","- C72 H56 Br4 N12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54178","CuKα","","0.023","0.0223","","","0.0532","0.0536","","","","","","1.14","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513744","9.882","0.002","36.918","0.005","8.62","0.004","90","","99.99","0.011","90","","3097.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0744","0.0559","","","0.1358","0.1474","","","","","","1.057","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513745","12.352","0.0014","7.361","0.0017","22.122","0.001","90","","98.421","0.008","90","","1989.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0626","0.0518","","","0.1335","0.1414","","","","","","1.036","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513746","11.035","0.0008","6.9","0.0005","11.373","0.002","90","","115.012","0.004","90","","784.75","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","MoKα","","0.0905","0.0776","","","0.2197","0.2324","","","","","","1.07","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513747","7.91984","0.00013","7.77745","0.00013","16.8551","0.0003","90","","101.445","0.0017","90","","1017.57","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 F5 N4 O2 -","- C22 H13 F5 N4 O2 -","- C44 H26 F10 N8 O4 -","2","1","","Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex","ACS Catalysis","2016","6","2","589","","10.1021/acscatal.5b02178","","x-ray","1.54184","CuKα","","0.0555","0.0502","","","0.135","0.1418","","","","","","1.042","","","","has coordinates","177379","2020-10-21","18:00:00",""
"4513748","9.7227","0.0006","23.8357","0.0014","8.7364","0.0005","90","","90","","90","","2024.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23.73 H18.45 Cl0.7 N O3.12 S -","- C23.725 H18.45 Cl0.7 N O3.125 S -","- C94.9 H73.8 Cl2.8 N4 O12.5 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0546","0.0443","","","0.1036","0.1097","","","","","","1.049","","","","has coordinates,has disorder","175759","2020-10-21","18:00:00",""
"4513749","5.9234","0.0003","17.5385","0.0009","11.7578","0.0005","90","","95.5438","0.0011","90","","1215.78","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C60 H50 N2 O6 S2 -","2","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.034","0.0321","","","0.0872","0.0888","","","","","","1.056","","","","has coordinates","175759","2020-10-21","18:00:00",""
"4513750","9.8811","0.0005","10.2565","0.0005","15.4749","0.0007","90","","90","","90","","1568.31","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0424","0.0366","","","0.0844","0.0877","","","","","","1.02","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4513751","13.5231","0.0009","13.1489","0.0009","19.3467","0.0014","90","","90","","90","","3440.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ken4-153-9","toste82","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C176 H152 F8 N16 O8 -","8","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0371","0.0369","","","0.0946","0.0948","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513752","7.6084","0.0002","6.4312","0.0002","11.7689","0.0003","90","","103.627","0.001","90","","559.66","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","ken4-150-3","toste80","","- C12 H15 F N2 O -","- C12 H15 F N2 O -","- C24 H30 F2 N4 O2 -","2","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0258","0.0255","","","0.0685","0.0687","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513753","14.407","0.0011","7.3079","0.0005","11.1275","0.0009","90","","109.808","0.009","90","","1102.24","0.16","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F5 N S -","- C13 H4 F5 N S -","- C52 H16 F20 N4 S4 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0337","0.0299","","","0.0792","0.0814","","","","","","1.07","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513754","12.8062","0.0004","5.84755","0.00016","12.6869","0.0004","90","","105.223","0.003","90","","916.72","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F4 -","- C12 H6 F4 -","- C48 H24 F16 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0413","0.0352","","","0.0969","0.1039","","","","","","1.053","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513755","5.92801","0.00016","7.5738","0.0002","23.6364","0.0005","90","","90","","90","","1061.22","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 F7 -","- C13 H5 F7 -","- C52 H20 F28 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0275","0.0266","","","0.0713","0.0724","","","","","","1.044","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513756","5.80768","0.00018","20.9642","0.0005","7.68611","0.00019","90","","90","","90","","935.81","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H5 F5 -","- C12 H5 F5 -","- C48 H20 F20 -","4","0.5","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0235","0.0234","","","0.0676","0.0676","","","","","","1.116","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513757","10.038","0.002","15.921","0.003","20.131","0.004","90","","90","","90","","3217.2","1.1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Br N O3 -","- C37 H40 Br N O3 -","- C148 H160 Br4 N4 O12 -","4","1","","He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping","Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides","ACS Catalysis","2016","6","2","652","","10.1021/acscatal.5b02619","","","0.71073","MoKα","","0.0596","0.0415","","","0.089","0.0971","","","","","","1.004","","","","has coordinates","177386","2020-10-21","18:00:00",""
"4513758","19.0615","0.0017","9.325","0.0008","20.7194","0.0018","90","","90","","90","","3682.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 N O -","- C22 H20 F3 N O -","- C176 H160 F24 N8 O8 -","8","1","","Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min","Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives","ACS Catalysis","2016","6","2","526","","10.1021/acscatal.5b02400","","","0.71073","MoKα","","0.0611","0.0458","","","0.121","0.1314","","","","","","1.039","","","","has coordinates,has disorder","177388","2020-10-21","18:00:00",""
"4513759","16.5508","0.0009","9.9149","0.0005","20.9543","0.0011","90","","100.391","0.001","90","","3382.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Er N O Si2 -","- C36 H44 Er N O Si2 -","- C144 H176 Er4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0639","0.0354","","","0.0797","0.0929","","","","","","1.024","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513760","16.5847","0.0012","9.9933","0.0007","21.0068","0.0015","90","","100.271","0.001","90","","3425.8","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Gd N O Si2 -","- C36 H44 Gd N O Si2 -","- C144 H176 Gd4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.052","0.034","","","0.0775","0.0859","","","","","","1.019","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513761","16.5572","0.0009","10.0221","0.0005","21.0296","0.0011","90","","100.37","0.001","90","","3432.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N Nd O Si2 -","- C36 H44 N Nd O Si2 -","- C144 H176 N4 Nd4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0642","0.0376","","","0.0844","0.0967","","","","","","1.027","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513762","14.6913","0.0007","11.3369","0.0006","19.4321","0.001","90","","95.729","0.001","90","","3220.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N O Pr Si2 -","- C31 H44 N O Pr Si2 -","- C124 H176 N4 O4 Pr4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.1179","0.111","","","0.268","0.2836","","","","","","1.36","","","","has coordinates,has disorder","175762","2020-10-21","18:00:00",""
"4513763","7.8557","0.0002","11.6834","0.0004","13.6223","0.0004","103.37","0.001","94.785","0.001","101.888","0.001","1178.97","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Cl F6 N3 P Rh -","- C19 H24 Cl F6 N3 P Rh -","- C38 H48 Cl2 F12 N6 P2 Rh2 -","2","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0352","0.0342","","","0.1044","0.1051","","","","","","1.129","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513764","15.666","0.003","7.2906","0.0013","21.328","0.004","90","","90","","90","","2436","0.8","160","2","160","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C20 H26 Cl F6 N3 O P Rh -","- C20 H26 Cl F6 N3 O P Rh -","- C80 H104 Cl4 F24 N12 O4 P4 Rh4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.044","0.0352","","","0.0999","0.1197","","","","","","1.305","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513765","30.566","0.004","8.1625","0.0012","22.272","0.003","90","","98.215","0.006","90","","5499.7","1.3","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 Cl F6 N4 P Rh -","- C25 H29 Cl F6 N4 P Rh -","- C200 H232 Cl8 F48 N32 P8 Rh8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0412","0.0376","","","0.1065","0.1099","","","","","","1.065","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513766","28.458","0.002","12.7428","0.0012","13.1834","0.0012","90","","90","","90","","4780.8","0.7","140","2","140","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C20 H26 Cl F6 N3 P Rh -","- C20 H26 Cl F6 N3 P Rh -","- C160 H208 Cl8 F48 N24 P8 Rh8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.065","0.0531","","","0.1351","0.1419","","","","","","1.078","","","","has coordinates","206166","2020-10-21","18:00:00",""
"4513767","21.5542","0.001","21.5542","0.001","26.557","0.003","90","","90","","120","","10685","1.4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23 H31 Cl N3 Rh -","- C23 H31 Cl N3 Rh -","- C414 H558 Cl18 N54 Rh18 -","18","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0498","0.0379","","","0.0838","0.0887","","","","","","1.095","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513768","16.0545","0.0003","7.2176","0.0001","24.4803","0.0004","90","","90","","90","","2836.65","0.08","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H36 Cl F6 N3 P Rh -","- C28 H36 Cl F6 N3 P Rh -","- C112 H144 Cl4 F24 N12 P4 Rh4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0282","0.0252","","","0.0558","0.0576","","","","","","1.058","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513769","15.136","0.004","8.965","0.004","32.085","0.01","90","","102","0.03","90","","4259","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F6 N3 P -","- C23 H18 F6 N3 P -","- C184 H144 F48 N24 P8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.2425","0.1696","","","0.4627","0.5002","","","","","","1.646","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513770","8.3203","0.0001","17.1518","0.0003","13.0268","0.0002","90","","96.731","0.001","90","","1846.22","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F6 N3 P -","- C19 H18 F6 N3 P -","- C76 H72 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0584","0.0467","","","0.1116","0.1203","","","","","","1.037","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513771","9.3435","0.0007","25.7949","0.0017","12.1804","0.0009","90","","95.655","0.005","90","","2921.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl2 F6 N3 P -","- C28 H28 Cl2 F6 N3 P -","- C112 H112 Cl8 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.2232","0.1026","","","0.2649","0.3817","","","","","","0.896","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513772","8.7885","0.0004","23.335","0.0011","11.5049","0.0006","90","","97.583","0.002","90","","2338.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 F3 N3 O3 S -","- C22 H30 F3 N3 O3 S -","- C88 H120 F12 N12 O12 S4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0553","0.041","","","0.0973","0.106","","","","","","1.027","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513773","12.1221","0.0004","9.8286","0.0003","21.8422","0.0007","90","","93.81","0.002","90","","2596.6","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 F6 N4 P -","- C29 H23 F6 N4 P -","- C116 H92 F24 N16 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.1129","0.0607","","","0.1441","0.1735","","","","","","1.038","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513774","8.0991","0.0011","11.7222","0.0017","22.981","0.003","90","","109.173","0.006","90","","2060.8","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F6 N3 P -","- C21 H24 F6 N3 P -","- C84 H96 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.1126","0.0906","","","0.1636","0.1648","","","","","","4.872","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513775","13.3734","0.0007","11.2225","0.0006","15.731","0.0008","90","","114.074","0.003","90","","2155.6","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F6 N3 P -","- C22 H24 F6 N3 P -","- C88 H96 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0723","0.0535","","","0.1331","0.1451","","","","","","1.069","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513776","19.6256","0.0012","13.0146","0.0007","25.6519","0.0017","90","","90","","90","","6552","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 F6 N3 P -","- C37 H28 F6 N3 P -","- C296 H224 F48 N24 P8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.1608","0.0927","","","0.2599","0.3079","","","","","","1.034","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513777","10.4464","0.0002","10.5483","0.0002","13.2843","0.0003","89.215","0.001","69.09","0.001","66.286","0.001","1237.45","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 F6 N3 P -","- C27 H24 F6 N3 P -","- C54 H48 F12 N6 P2 -","2","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0458","0.0366","","","0.0945","0.1017","","","","","","0.839","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513778","8.1489","0.0018","17.045","0.004","15.403","0.004","90","","101.334","0.012","90","","2097.7","0.9","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 F6 N3 P -","- C18 H26 F6 N3 P -","- C72 H104 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0841","0.0592","","","0.1058","0.1079","","","","","","3.03","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513779","17.067","0.004","10.4806","0.0018","18.8193","0.0014","90","","95.005","0.011","90","","3353.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N3 Ni -","- C18 H22 Cl N3 Ni -","- C144 H176 Cl8 N24 Ni8 -","8","2","","Perez Garcia, Pablo M.; Di Franco, Thomas; Epenoy, Alexandre; Scopelliti, Rosario; Hu, Xile","From Dimethylamine to Pyrrolidine: The Development of an Improved Nickel Pincer Complex for Cross-Coupling of Nonactivated Secondary Alkyl Halides","ACS Catalysis","2016","6","1","258","","10.1021/acscatal.5b02324","","","0.71073","MoKα","","0.0983","0.0815","","","0.167","0.174","","","","","","1.299","","","","has coordinates,has disorder","175763","2020-10-21","18:00:00",""
"4513780","8.9143","0.0005","10.0383","0.0006","10.4508","0.0006","106.994","0.003","96.214","0.003","108.761","0.003","825.44","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H13 Br N2 O3 S -","- C15 H12.5 Br N2 O3 S -","- C30 H25 Br2 N4 O6 S2 -","2","2","","Li, Yi; Yu, Yue-Na; Xu, Ming-Hua","Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives","ACS Catalysis","2016","6","2","661","","10.1021/acscatal.5b02403","","","0.71073","MoKα","","0.0413","0.0335","","","0.0873","0.0902","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513781","6.9469","0.001","15.845","0.002","20.914","0.003","90","","90","","90","","2302.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Zhou, Xukai; Yu, Songjie; Kong, Lingheng; Li, Xingwei","Rhodium(III)-Catalyzed Coupling of Arenes with Cyclopropanols via C‒H Activation and Ring Opening","ACS Catalysis","2016","6","2","647","","10.1021/acscatal.5b02414","","","0.71073","MoKα","","0.0811","0.0613","","","0.1448","0.1557","","","","","","1.091","","","","has coordinates","177390","2020-10-21","18:00:00",""
"4513782","18.2664","0.0012","21.4148","0.0014","10.4443","0.0007","90","","90","","90","","4085.5","0.5","147","2","147","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C46 H45 B Cl F4 Fe N2 O P2 -","- C46 H45 B Cl F4 Fe N2 O P2 -","- C184 H180 B4 Cl4 F16 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.0571","0.0386","","","0.0732","0.0796","","","","","","1.005","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513783","11.0847","0.0008","13.0101","0.0009","27.0865","0.0018","90","","90","","90","","3906.2","0.5","147","2","147","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl Fe N2 O P2 -","- C45 H43 Cl Fe N2 O P2 -","- C180 H172 Cl4 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.1147","0.0581","","","0.0816","0.0967","","","","","","0.976","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513784","13.3911","0.0003","13.3911","0.0003","26.1903","0.0007","90","","90","","120","","4067.28","0.17","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","CJ802","","","- C27 H38 B Br O3 -","- C27 H38 B Br O3 -","- C162 H228 B6 Br6 O18 -","6","1","","Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola","Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates.","ACS catalysis","2016","6","1","442","446","10.1021/acscatal.5b02742","","","0.71073","","","0.0713","0.0388","","","0.0943","0.1257","","","","","","1.093","","","","has coordinates","182489","2020-10-21","18:00:00",""
"4513793","15.3957","0.0013","31.578","0.003","17.2918","0.0015","90","","111.265","0.001","90","","7834.3","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H44 O5.5 P -","- C43 H44 O5.5 P -","- C344 H352 O44 P8 -","8","4","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0675","0.0503","","","0.1259","0.1336","","","","","","1.046","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513794","24.1287","0.0008","24.1287","0.0008","33.801","0.002","90","","90","","120","","17042.3","1.3","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C112 H91 F12 N O16 P4 -","- C112 H91 F12 N O16 P4 -","- C672 H546 F72 N6 O96 P24 -","6","1","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0522","0.046","","","0.127","0.1322","","","","","","1.043","","","","has coordinates,has disorder","177380","2020-10-21","18:00:00",""
"4513795","10.383","0.003","10.981","0.003","14.706","0.005","90","","106.941","0.005","90","","1604","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0535","0.0403","","","0.0973","0.1046","","","","","","0.963","","","","has coordinates","187876","2020-10-21","18:00:00",""
"4513796","13.206","0.005","7.219","0.002","17.366","0.006","90","","102.062","0.004","90","","1619","0.9","100","2","100","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","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0481","0.0472","","","0.1264","0.1274","","","","","","1.056","","","","has coordinates","187876","2020-10-21","18:00:00",""
"4513797","18.0992","0.0004","9.65395","0.00015","19.7948","0.0004","90","","110.024","0.002","90","","3249.64","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N1,N2-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine manganese(II) bis(trifluoromethanesulfonate)","","- C24 H34 F6 Mn N4 O8 S2 -","- C24 H34 F6 Mn N4 O8 S2 -","- C96 H136 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification","ACS Catalysis","2016","6","2","979","","10.1021/acscatal.5b02299","","x-ray","0.71073","MoKα","","0.0778","0.0647","","","0.1828","0.1949","","","","","","1.057","","","","has coordinates,has disorder","177384","2020-10-21","18:00:00",""
"4513798","7.3858","0.0004","11.7473","0.0006","16.1486","0.0008","90","","97.962","0.001","90","","1387.6","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F3 N O2 -","- C18 H10 F3 N O2 -","- C72 H40 F12 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.0397","0.0379","","","0.1025","0.1039","","","","","","1.031","","","","has coordinates","177391","2020-10-21","18:00:00",""
"4513799","6.1061","0.0005","22.232","0.002","11.7017","0.0012","90","","95.582","0.008","90","","1581","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.129","0.0539","","","0.0722","0.0888","","","","","","1.001","","","","has coordinates","177391","2020-10-21","18:00:00",""
"4513801","11.6562","0.0003","21.5144","0.0004","16.1302","0.0003","90","","102.368","0.0007","90","","3951.19","0.15","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O -","- C23 H21 F2 N O -","- C184 H168 F16 N8 O8 -","8","4","","Momiyama, Norie; Okamoto, Hiroshi; Kikuchi, Jun; Korenaga, Toshinobu; Terada, Masahiro","Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls","ACS Catalysis","2016","6","2","1198","","10.1021/acscatal.5b02136","","","0.71075","MoKα","","0.0739","0.038","","","0.0823","0.1048","","","","","","1.097","","","","has coordinates","177382","2020-10-21","18:00:00",""
"4513802","11.4113","0.0006","21.0276","0.0011","12.5491","0.0006","90","","93.583","0.001","90","","3005.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Al-Salen","","","- C30 H41 Al Br2 N2 O3 -","- C30 H41 Al Br2 N2 O3 -","- C120 H164 Al4 Br8 N8 O12 -","4","1","","Marlier, Elodie E.; Macaranas, Joahanna A.; Marell, Daniel J.; Dunbar, Christine R.; Johnson, Michelle A.; DePorre, Yvonne; Miranda, Maria O.; Neisen, Benjamin D.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.","Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations.","ACS catalysis","2016","6","2","1215","1224","10.1021/acscatal.5b02607","","","1.54178","CuKα","","0.0369","0.0343","","","0.0872","0.0889","","","","","","1.104","","","","has coordinates","177378","2020-10-21","18:00:00",""
"4513803","9.894","0.002","19.922","0.004","22.901","0.006","90","","103.78","0.03","90","","4384.1","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 N2 O P2 Ru -","- C42 H40 N2 O P2 Ru -","- C168 H160 N8 O4 P8 Ru4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","","0.0788","","","0.2009","0.2128","","","","","","1.101","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513804","6.8744","0.0014","8.6699","0.0017","15.729","0.003","90","","90","","90","","937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","0.0424","0.0411","","","0.0982","0.0991","","","","","","1.056","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513805","7.5306","0.0007","6.1547","0.0005","20.6613","0.0016","90","","91.838","0.008","90","","957.13","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Wu, Jin-Ji; Li, Yinwu; Zhou, Hai-Yun; Wen, A-Hao; Lun, Chu-Chu; Yao, Su-Yang; Ke, Zhuofeng; Ye, Bao-Hui","Copper-Catalyzed Carbamoylation of Terminal Alkynes with Formamides via Cross-Dehydrogenative Coupling","ACS Catalysis","2016","","","1263","","10.1021/acscatal.5b02881","","x-ray","0.71073","MoKα","","0.0938","0.0671","","","0.1479","0.1631","","","","","","1.0739","","","","has coordinates","206162","2020-10-21","18:00:00",""
"4513806","8.6051","0.0005","8.456","0.0004","18.6229","0.001","90","","96.947","0.002","90","","1345.14","0.12","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Fe P S -","- C31 H33 Fe P S -","- C62 H66 Fe2 P2 S2 -","2","1","","Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenylphosphine Derivatives by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis and Their Application in Asymmetric Catalysis","ACS Catalysis","2016","6","2","1308","","10.1021/acscatal.5b02692","","","0.71075","MoKα","","0.1841","0.097","","","0.1566","0.1916","","","","","","1.082","","","","has coordinates","177381","2020-10-21","18:00:00",""
"4513807","8.219","0.0004","10.1031","0.0006","12.1768","0.0006","86.213","0.004","78.34","0.004","86.602","0.004","987.01","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek","Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality","ACS Catalysis","2016","6","3","1559","","10.1021/acscatal.5b02867","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1028","0.1098","","","","","","1.033","","","","has coordinates","181420","2020-10-21","18:00:00",""
"4513808","6.1084","0.0005","14.9045","0.0014","15.5068","0.0014","85.229","0.004","81.551","0.003","83.644","0.004","1384.7","0.2","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0538","0.0438","","","0.125","0.135","","","","","","1.093","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513809","9.51","0.0005","13.531","0.0007","15.5036","0.0009","90","","101.853","0.002","90","","1952.46","0.18","193","2","193","2","","","","","","","synthesis as described","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","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0517","0.0404","","","0.1076","0.119","","","","","","1.047","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513810","7.4674","0.0004","8.2917","0.0004","10.159","0.0005","84.506","0.002","89.933","0.002","69.136","0.001","584.71","0.05","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0358","0.0327","","","0.0933","0.0968","","","","","","1.088","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513811","10.3225","0.0007","20.9863","0.0017","16.6431","0.0014","90","","95.815","0.004","90","","3586.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C176 H136 N8 O24 S8 -","8","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.1286","0.0529","","","0.094","0.1179","","","","","","1.006","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513812","8.5582","0.0003","10.1474","0.0004","11.3665","0.0004","114.204","0.0011","92.3803","0.0013","95.0132","0.0012","893.63","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C44 H34 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.0407","0.0346","","","0.0968","0.101","","","","","","1.049","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513813","15.7908","0.0006","6.1888","0.0002","13.6788","0.0005","90","","106.523","0.001","90","","1281.57","0.08","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0515","0.0447","","","0.123","0.1299","","","","","","1.049","","","","has coordinates,has disorder","181421","2020-10-21","18:00:00",""
"4513814","6.4715","0.0003","12.2935","0.0005","16.0625","0.0007","90","","90","","90","","1277.89","0.1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0331","0.0316","","","0.0959","0.0972","","","","","","1.182","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513815","8.6937","0.0001","8.2505","0.0001","9.8923","0.0002","90","","96.8229","0.0007","90","","704.524","0.019","","","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C34 H34 N6 O2 -","2","1","","Singh, Manish K.; Akula, Hari K.; Satishkumar, Sakilam; Stahl, Lothar; Lakshman, Mahesh K.","Ruthenium-Catalyzed C-H Bond Activation Approach to Azolyl Aminals and Hemiaminal Ethers, Mechanistic Evaluations, and Isomer Interconversion.","ACS catalysis","2016","6","3","1921","1928","10.1021/acscatal.5b02603","","","0.71073","MoKα","","0.0346","0.0324","","","0.0887","0.0913","","","","","","1.0952","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513816","7.9794","0.0013","12.355","0.002","27.87","0.004","83.268","0.003","84.119","0.003","89.549","0.003","2714.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 F2 N O4 -","- C33 H27 F2 N O4 -","- C132 H108 F8 N4 O16 -","4","2","","Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei","Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond","ACS Catalysis","2016","6","3","1971","","10.1021/acscatal.5b02297","","","0.71073","MoKα","","0.1885","0.0839","","","0.2214","0.2889","","","","","","1.011","","","","has coordinates,has disorder","181424","2020-10-21","18:00:00",""
"4513817","10.0715","0.0002","28.3272","0.0005","21.8875","0.0015","90","","92.226","0.007","90","","6239.7","0.5","85","","85","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H53 B Cl N4 O3 P Ru -","- C63 H53 B Cl N4 O3 P Ru -","- C252 H212 B4 Cl4 N16 O12 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0696","0.0667","","","0.1778","0.1797","","","","","","1.038","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513818","14.0112","0.0003","9.7442","0.0002","27.2179","0.0019","90","","94.215","0.007","90","","3706","0.3","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C152 H144 Cl4 F24 N12 O16 P8 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0255","0.025","","","0.0608","0.0611","","","","","","1.048","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513819","12.1467","0.0002","17.3624","0.0004","12.8848","0.0009","90","","90.182","0.006","90","","2717.3","0.2","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C84 H116 Cl4 F24 N12 O8 P12 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0724","0.0623","","","0.1722","0.1817","","","","","","1.134","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513820","11.6136","0.0002","17.269","0.0003","14.4146","0.001","90","","90.128","0.006","90","","2890.9","0.2","85","","85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl2 N3 O2 P Ru -","- C33 H26 Cl2 N3 O2 P Ru -","- C132 H104 Cl8 N12 O8 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0391","0.0376","","","0.1012","0.1024","","","","","","1.093","","","","has coordinates","181422","2020-10-21","18:00:00",""
"4513821","38.209","0.002","13.4891","0.0003","24.3071","0.0004","90","","118.199","0.007","90","","11041.1","1","85","","85","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H53 N6 O5 P2 Ru2 -","- C69 H53 N6 O5 P2 Ru2 -","- C552 H424 N48 O40 P16 Ru16 -","8","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0453","0.0433","","","0.1351","0.1369","","","","","","1.162","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513822","14.9292","0.0012","12.2212","0.001","12.2965","0.001","90","","109.506","0.001","90","","2114.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F3 Ir N3 O3 S -","- C19 H23 F3 Ir N3 O3 S -","- C76 H92 F12 Ir4 N12 O12 S4 -","4","1","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0359","0.0241","","","0.0492","0.0527","","","","","","1.014","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513823","11.0313","0.0004","26.4631","0.0009","19.9865","0.0007","90","","98.415","0.001","90","","5771.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F3 Ir N3 O3 S -","- C27 H31 F3 Ir N3 O3 S -","- C216 H248 F24 Ir8 N24 O24 S8 -","8","2","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0591","0.047","","","0.1179","0.1243","","","","","","1.028","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513824","20.3758","0.0009","3.4577","0.0002","10.3049","0.0004","90","","106.491","0.004","90","","696.15","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H5 Na3 O8 -","- C2 H5 Na3 O8 -","- C8 H20 Na12 O32 -","4","0.5","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","1.54178","CuKα","","0.0292","0.0272","","","0.0801","0.0817","","","","","","1.168","","","","has coordinates","181425","2020-10-21","18:00:00",""
"4513825","9.8337","0.001","11.7927","0.001","12.4336","0.0011","112.475","0.008","96.966","0.008","104.18","0.008","1254","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","0.71073","MoKα","","0.0674","0.0463","","","0.0921","0.1037","","","","","","1.023","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513826","11.8802","0.0006","12.1897","0.0005","13.9679","0.0005","86.341","0.003","73.708","0.004","63.295","0.005","1729.87","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","cis-(ITMe)2Pd(SiMe2Ph)2","","- C33 H49 N4 Pd Si2 -","- C33 H49 N4 Pd Si2 -","- C66 H98 N8 Pd2 Si4 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.044","0.0396","","","0.1101","0.1171","","","","","","0.9017","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513827","12.9381","0.0003","17.8318","0.0003","14.8311","0.0004","90","","113.454","0.003","90","","3138.98","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 B N4 O2 Pd Si -","- C28 H47 B N4 O2 Pd Si -","- C112 H188 B4 N16 O8 Pd4 Si4 -","4","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.0404","0.035","","","0.084","0.088","","","","","","1.044","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513837","17.0173","0.0003","7.793","0.0001","19.3018","0.0003","90","","103.52","0.001","90","","2488.79","0.07","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 I2 Ir N3 -","- C23 H26 I2 Ir N3 -","- C92 H104 I8 Ir4 N12 -","4","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0665","0.0529","","","0.1439","0.1555","","","","","","1.066","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513838","9.2675","0.0002","10.21","0.0002","12.0027","0.0003","79.971","0.001","78.553","0.001","83.299","0.001","1092.13","0.04","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 I Ir N3 -","- C23 H25 I Ir N3 -","- C46 H50 I2 Ir2 N6 -","2","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0234","0.0212","","","0.0501","0.0512","","","","","","1.077","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513839","7.32516","0.00019","13.4286","0.0003","19.6168","0.0006","90","","90","","90","","1929.64","0.09","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Wang, Gang; Liu, Xiaohua; Chen, Yushuang; Yang, Jian; Li, Jun; Lin, Lili; Feng, Xiaoming","Diastereoselective and Enantioselective Alleno-aldol Reaction of Allenoates with Isatins to Synthesis of Carbinol Allenoates Catalyzed by Gold","ACS Catalysis","2016","6","4","2482","","10.1021/acscatal.6b00294","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1193","0.1215","","","","","","1.046","","","","has coordinates","181409","2020-10-21","18:00:00",""
"4513840","5.622","0.005","15.483","0.005","18.549","0.005","90","0.005","94.841","0.005","90","0.005","1608.8","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F6 O2 -","- C17 H10 F6 O2 -","- C68 H40 F24 O8 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0903","0.0714","","","0.1862","0.2059","","","","","","1.036","","","","has coordinates,has disorder","181414","2020-10-21","18:00:00",""
"4513841","4.5824","0.0002","19.9078","0.0008","12.0067","0.0004","90","","94.374","0.003","90","","1092.13","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0473","0.0443","","","0.1216","0.1255","","","","","","1.045","","","","has coordinates","181414","2020-10-21","18:00:00",""
"4513842","17.7344","0.0005","14.2966","0.0004","30.6824","0.0009","90","","90","","90","","7779.3","0.4","200","2","200","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C268 H64 B8 Cl8 F160 Fe16 O48 S16 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.078","0.0537","","","0.1038","0.1147","","","","","","1.036","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513843","16.0418","0.0006","20.9445","0.0008","23.0959","0.001","90","","90","","90","","7759.9","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H5 B F20 Fe2 O6 S2 -","- C36 H5 B F20 Fe2 O6 S2 -","- C288 H40 B8 F160 Fe16 O48 S16 -","8","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0902","0.0644","","","0.1245","0.1346","","","","","","1.148","","","","has coordinates","181413","2020-10-21","18:00:00",""
"4513844","22.9134","0.0012","12.3868","0.0007","17.2161","0.0009","90","","124.699","0.001","90","","4017.3","0.4","200","2","200","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C132 H28 B4 Cl8 F80 Fe8 O24 S8 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0473","0.0427","","","0.1034","0.1063","","","","","","1.042","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513845","6.4147","0.0004","18.5996","0.0011","11.5206","0.0006","90","","104.145","0.0013","90","","1332.85","0.13","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H7 F9 Fe2 O15 S5 -","- C11 H7 F9 Fe2 O15 S5 -","- C22 H14 F18 Fe4 O30 S10 -","2","0.5","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0673","0.0577","","","0.1301","0.136","","","","","","1.106","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513846","10.5879","0.0002","4.8182","0.0001","13.6534","0.0002","90","","96.876","0.002","90","","691.51","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O -","- C18 H16 O -","- C36 H32 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0464","0.0444","","","0.1219","0.125","","","","","","1.061","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513847","10.5044","0.0002","4.7708","0.0001","13.7318","0.0003","90","","97.605","0.002","90","","682.11","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H14 O -","- C18 H14 O -","- C36 H28 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0796","0.0807","","","","","","1.068","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513848","8.9984","0.0004","21.6663","0.0011","12.2395","0.0005","90","","90.0826","0.0017","90","","2386.24","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Co N3 O4 -","- C23 H33 Co N3 O4 -","- C92 H132 Co4 N12 O16 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0673","0.0629","","","0.1927","0.1987","","","","","","1.066","","","","has coordinates","181416","2020-10-21","18:00:00",""
"4513849","8.9806","0.0004","29.3177","0.0012","8.8612","0.0004","90","","97.9533","0.0014","90","","2310.63","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Co N3 O5 -","- C21 H35 Co N3 O5 -","- C84 H140 Co4 N12 O20 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0304","0.0281","","","0.0772","0.0785","","","","","","1.134","","","","has coordinates","181416","2020-10-21","18:00:00",""
"4513850","15.229","0.004","8.446","0.002","17.388","0.005","90","","108.03","0.003","90","","2126.7","1","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl Ir N3 O3 -","- C22 H23 Cl Ir N3 O3 -","- C88 H92 Cl4 Ir4 N12 O12 -","4","1","","Ngo, Anh H.; Ibañez, Miguel; Do, Loi H.","Catalytic Hydrogenation of Cytotoxic Aldehydes Using Nicotinamide Adenine Dinucleotide (NADH) in Cell Growth Media","ACS Catalysis","2016","6","4","2637","","10.1021/acscatal.6b00395","","","0.71073","MoKα","","0.0178","0.0165","","","0.0445","0.056","","","","","","1.164","","","","has coordinates","181410","2020-10-21","18:00:00",""
"4513853","11.7189","0.001","12.5863","0.0011","16.7721","0.0014","90","","99.602","0.002","90","","2439.2","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H38 Br Fe N3 O P2 -","- C20 H38 Br Fe N3 O P2 -","- C80 H152 Br4 Fe4 N12 O4 P8 -","4","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0393","0.029","","","0.0324","0.0334","","","","1.23","1.23","1.17","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513854","13.7848","0.0007","11.7982","0.0005","15.4447","0.0008","90","","113.332","0.0014","90","","2306.5","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Fe N3 O P2 -","- C20 H39 Fe N3 O P2 -","- C80 H156 Fe4 N12 O4 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0601","0.0351","","","0.039","0.0406","","","","1.9","1.9","1.68","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513855","8.33","0.0001","21.758","0.0003","15.532","0.0002","90","","90","","90","","2815.08","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C116 H104 F12 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.0849","0.0466","","","0.1174","0.1374","","","","","","0.841","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513856","8.592","0.0002","11.328","0.0003","27.778","0.0005","90","","90","","90","","2703.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.1071","0.044","","","0.1128","0.1539","","","","","","0.744","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513857","10.512","0.005","10.602","0.005","13.589","0.005","104.085","0.005","99.52","0.005","91.757","0.005","1444.7","1.1","250","1","250","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C58 H52 F6 N6 O12 S2 -","2","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71069","MoKα","","0.0743","0.0492","","","0.1247","0.1456","","","","","","0.98","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513858","7.23695","0.0001","9.22435","0.00011","23.1301","0.0003","90","","90","","90","","1544.08","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M.","Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters","ACS Catalysis","2016","6","4","2673","","10.1021/acscatal.6b00365","","x-ray","1.54184","CuKα","","0.0319","0.0295","","","0.0728","0.0751","","","","","","1.04","","","","has coordinates","181419","2020-10-21","18:00:00",""
"4513862","15.1403","0.0015","23.6","0.003","14.0883","0.0016","90","","96.634","0.003","90","","5000.2","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Fe N3 O3 P2 -","- C21 H39 Fe N3 O3 P2 -","- C168 H312 Fe8 N24 O24 P16 -","8","2","","Bertini, Federica; Gorgas, Nikolaus; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca","Efficient and Mild Carbon Dioxide Hydrogenation to Formate Catalyzed by Fe(II) Hydrido Carbonyl Complexes Bearing 2,6-(Diaminopyridyl)diphosphine Pincer Ligands","ACS Catalysis","2016","","","2889","","10.1021/acscatal.6b00416","","x-ray","0.71073","MoKα","","0.0781","0.0383","","","0.0355","0.0397","","","","1.39","1.39","1.23","","","","has coordinates","181966","2020-10-21","18:00:00",""
"4513863","9.0615","0.0004","10.7999","0.0005","17.4441","0.0009","88.376","0.003","79.606","0.002","82.091","0.003","1663.14","0.14","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H38 B Li O2 P2 S2 -","- C33 H38 B Li O2 P2 S2 -","- C66 H76 B2 Li2 O4 P4 S4 -","2","1","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0705","0.0497","","","0.1255","0.1399","","","","","","1.022","","","","has coordinates,has disorder","183562","2020-10-21","18:00:00",""
"4513864","15.4208","0.0004","14.8446","0.0004","13.1339","0.0004","90","","92.9702","0.0015","90","","3002.52","0.14","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 B2 Li O P2 S2 -","- C29 H35 B2 Li O P2 S2 -","- C116 H140 B8 Li4 O4 P8 S8 -","4","0.5","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0447","0.0344","","","0.0855","0.0925","","","","","","1.024","","","","has coordinates","183562","2020-10-21","18:00:00",""
"4513865","8.4103","0.0003","8.8487","0.0003","20.8277","0.0008","90","","90","","90","","1550","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","LM1NC377","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","x-ray","0.71073","MoKα","","0.0558","0.0417","","","0.0878","0.0943","","","","","","1.034","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513866","9.4194","0.0013","7.0858","0.0009","19.435","0.003","90","","95.373","0.007","90","","1291.5","0.3","","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C72 H64 O4 -","2","0.5","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0637","0.0394","","","0.0877","0.101","","","","","","1.0091","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513867","6.489","0.0012","7.157","0.0013","32.722","0.005","90","","90","","90","","1519.7","0.5","","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F O -","- C20 H19 F O -","- C80 H76 F4 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0654","0.0516","","","0.1214","0.1304","","","","","","1.0323","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513868","14.136","0.004","9.529","0.003","25.085","0.008","90","","94.09","0.017","90","","3370.4","1.8","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19.16 N2 O4.58 Pd -","- C16 H19 N2 O4.5793 Pd -","- C128 H152 N16 O36.6344 Pd8 -","8","2","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","1.54178","CuKα","","0.0226","0.0202","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513869","11.06","0.003","10.703","0.004","15.879","0.005","90","","102.713","0.011","90","","1833.6","1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O5 Pd -","- C20 H17 N3 O5 Pd -","- C80 H68 N12 O20 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","","0.0237","0.0219","","","0.0544","0.0554","","","","","","1.125","","","","has coordinates,has disorder","183559","2020-10-21","18:00:00",""
"4513870","12.472","0.006","8.829","0.005","19.26","0.008","90","","90.22","0.03","90","","2120.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O4 Pd -","- C22 H23 N3 O4 Pd -","- C88 H92 N12 O16 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","K-L~3~","0.041","0.0301","","","0.0681","0.0722","","","","","","1.063","","","","has coordinates","183559","2020-10-21","18:00:00",""
"4513871","9.8601","0.00019","17.3729","0.0003","10.9482","0.0003","90","","111.164","0.002","90","","1748.92","0.07","290.85","0.1","290.85","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 B N O2 -","- C19 H26 B N O2 -","- C76 H104 B4 N4 O8 -","4","2","","Zhan, Miao; Li, Ren-Zhe; Mou, Ze-Dong; Cao, Chao-Guo; Liu, Jie; Chen, Yuan-Wei; Niu, Dawen","Silver-Assisted, Iridium-Catalyzed Allylation of Bis[(pinacolato)boryl]methane Allows the Synthesis of Enantioenriched Homoallylic Organoboronic Esters","ACS Catalysis","2016","6","5","3381","","10.1021/acscatal.6b00719","","x-ray","1.54184","CuKα","","0.0486","0.0477","","","0.127","0.1284","","","","","","1.03","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513872","36.0683","0.0019","36.0683","0.0019","27.0566","0.0012","90","","90","","90","","35199","3","99.99","","99.99","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C51 H32 N4 O9 Zn2 -","- C51 H32 N4 O9 Zn2 -","- C408 H256 N32 O72 Zn16 -","8","0.5","","Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A.","Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis","ACS Catalysis","2016","6","5","3248","","10.1021/acscatal.6b00424","","x-ray","1.54178","CuKα","","0.2038","0.1212","","","0.3688","0.4101","","","","","","0.968","","","","has coordinates","183561","2020-10-21","18:00:00",""
"4513873","8.7413","0.0003","14.2966","0.0006","15.2329","0.0006","90","","98.084","0.002","90","","1884.75","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Ir N2 O6 S -","- C15 H19 Ir N2 O6 S -","- C60 H76 Ir4 N8 O24 S4 -","4","1","","Koelewijn, Jacobus M.; Lutz, Martin; Dzik, Wojciech I.; Detz, Remko J.; Reek, Joost N. H.","Reaction Progress Kinetic Analysis as a Tool To Reveal Ligand Effects in Ce(IV)-Driven IrCp*-Catalyzed Water Oxidation","ACS Catalysis","2016","6","6","3418","","10.1021/acscatal.6b00297","","","0.71073","MoKα","","0.0277","0.0213","","","0.0447","0.0472","","","","","","1.033","","","","has coordinates","183554","2020-10-21","18:00:00",""
"4513878","9.0933","0.0002","20.0387","0.0004","23.2417","0.0005","90","","90","","90","","4235.05","0.16","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C240 H160 N16 O8 -","8","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0427","0.035","","","0.0781","0.0832","","","","","","1.041","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513879","21.6794","0.0008","5.8892","0.0002","20.8559","0.0007","90","","98.889","0.002","90","","2630.78","0.16","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 F3 N2 O4 -","- C33 H23 F3 N2 O4 -","- C132 H92 F12 N8 O16 -","4","1","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0646","0.0435","","","0.0974","0.1068","","","","","","1.058","","","","has coordinates","183557","2020-10-21","18:00:00",""
"4513880","12.5358","0.0005","12.9306","0.0005","14.235","0.0006","66.91","0.002","68.341","0.003","69.341","0.002","1913.41","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0937","0.0675","","","0.1885","0.2035","","","","","","1.056","","","","has coordinates","183557","2020-10-21","18:00:00",""
"4513881","12.857","","15.123","","12.073","","90","","102.04","","90","","2295.79","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Br N O3 S -","- C27 H20 Br N O3 S -","- C108 H80 Br4 N4 O12 S4 -","4","1","","Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian","Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes","ACS Catalysis","2016","6","6","3674","","10.1021/acscatal.6b00759","","","0.71073","MoKα","","0.0805","0.049","","","0.1117","0.1268","","","","","","1.007","","","","has coordinates","183555","2020-10-21","18:00:00",""
"4513882","10.6203","0.0004","11.0296","0.0004","13.8669","0.0005","102.003","0.003","107.216","0.003","99.873","0.003","1469.68","0.1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 Br N3 O2 -","- C35 H30 Br N3 O2 -","- C70 H60 Br2 N6 O4 -","2","1","","Wei, Guo; Zhang, Chenhao; Bureš, Filip; Ye, Xinyi; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Aerobic Oxidative C(sp3)‒H Olefination of Amines via Cooperative Photoredox and Asymmetric Catalysis","ACS Catalysis","2016","6","6","3708","","10.1021/acscatal.6b00846","","","1.54184","CuKα","","0.0675","0.0593","","","0.1714","0.1817","","","","","","1.057","","","","has coordinates","183556","2020-10-21","18:00:00",""
"4513883","14.1082","0.0016","18.267","0.002","8.1718","0.0009","90","","96.84","0.004","90","","2091","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Yan, Jianming; Yoshikai, Naohiko","Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration","ACS Catalysis","2016","6","6","3738","","10.1021/acscatal.6b01039","","","0.71073","MoKα","","0.0853","0.0538","","","0.1366","0.1666","","","","","","1.043","","","","has coordinates","183553","2020-10-21","18:00:00",""
"4513884","12.787","0.002","12.7131","0.0018","12.427","0.002","90","","114.445","0.003","90","","1839.1","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0399","0.0365","","","0.1046","0.1068","","","","","","1.074","","","","has coordinates","183552","2020-10-21","18:00:00",""
"4513885","9.67","0.0018","19.62","0.003","9.9545","0.0018","90","","112.567","0.003","90","","1744","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N -","- C22 H18 Br N -","- C88 H72 Br4 N4 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0251","0.0213","","","0.0558","0.0568","","","","","","1.071","","","","has coordinates","183552","2020-10-21","18:00:00",""
"4513886","4.8832","0.0003","15.6825","0.0011","19.696","0.0013","90","","90","","90","","1508.34","0.17","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 F3 N3 O3 -","- C14 H16 F3 N3 O3 -","- C56 H64 F12 N12 O12 -","4","1","","Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok","“Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis","ACS Catalysis","2016","6","7","4189","","10.1021/acscatal.6b00800","","x-ray","1.54178","CuKα","","0.043","0.0423","","","0.108","0.1087","","","","","","1.101","","","","has coordinates","184922","2020-10-21","18:00:00",""
"4513887","11.5615","0.0019","11.966","0.003","21.75","0.005","90","","90","","90","","3009","1.1","294","2","294","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C160 H104 N8 O16 -","8","1","","Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Palladium-Catalyzed Regioselective C‒H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position","ACS Catalysis","2016","6","7","4248","","10.1021/acscatal.6b00678","","x-ray","0.71073","MoKα","","0.073","0.0406","","","0.0956","0.1134","","","","","","1.012","","","","has coordinates","184923","2020-10-21","18:00:00",""
"4513888","7.3619","0.0003","15.6139","0.0009","10.5158","0.0006","90","","95.783","0.003","90","","1202.62","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl N3 Si -","- C9 H18 Cl N3 Si -","- C36 H72 Cl4 N12 Si4 -","4","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0572","0.0368","","","0.0988","0.1056","","","","","","1.055","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513889","9.2603","0.0004","12.2644","0.0009","14.0949","0.001","90","","101.148","0.004","90","","1570.58","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Cl N3 Si -","- C13 H26 Cl N3 Si -","- C52 H104 Cl4 N12 Si4 -","4","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.046","0.0383","","","0.103","0.1081","","","","","","1.029","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513890","10.4208","0.0003","32.2781","0.0011","20.9281","0.0004","90","","91.711","0.002","90","","7036.3","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H44 B2 F40 N6 O2 Si2 -","- C70 H44 B2 F40 N6 O2 Si2 -","- C280 H176 B8 F160 N24 O8 Si8 -","4","0.5","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0413","0.0318","","","0.0819","0.0856","","","","","","1.034","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513891","17.0441","0.001","17.1344","0.0005","26.8405","0.0015","90","","90","","90","","7838.5","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H36 F12 N8 O8 S4 Si2 -","- C20 H36 F6 N7 O4 S2 Si2 -","- C160 H288 F48 N56 O32 S16 Si16 -","8","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0915","0.0673","","","0.1904","0.2053","","","","","","0.964","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513892","8.6635","0.0005","9.8107","0.0003","9.9624","0.0006","90","","92.613","0.003","90","","845.87","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12.5 H20.5 Cl N3.5 O2 Si -","- C12.5 H20.5 Cl N3.5 O2 Si -","- C25 H41 Cl2 N7 O4 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0442","0.0428","","","0.1278","0.1294","","","","","","1.102","","","","has coordinates,has disorder","183482","2020-10-21","18:00:00",""
"4513893","7.9383","0.0007","13.9155","0.0012","16.4838","0.0009","75.2","0.005","84.476","0.005","76.031","0.004","1707.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H18 B F20 N3 O2 Si -","- C34 H18 B F20 N3 O2 Si -","- C68 H36 B2 F40 N6 O4 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.053","0.0381","","","0.0962","0.1031","","","","","","1.029","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513894","8.5953","0.0008","8.5523","0.0004","11.7943","0.0011","90","","92.704","0.004","90","","866.03","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N3 Si -","- C19 H23 N3 Si -","- C38 H46 N6 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0699","0.059","","","0.1521","0.1584","","","","","","1.121","","","","has coordinates,has disorder","183482","2020-10-21","18:00:00",""
"4513895","9.263","0.004","13.429","0.005","17.935","0.007","90","0","90","0","90","0","2231","1.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 Ir N3 -","- C20 H24 Cl2 Ir N3 -","- C80 H96 Cl8 Ir4 N12 -","4","1","","Bucci, Alberto; Menendez Rodriguez, Gabriel; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Poater, Albert; Cavallo, Luigi; Macchioni, Alceo","An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN)","ACS Catalysis","2016","6","7","4559","","10.1021/acscatal.6b01325","","","0.71069","MoKα","","0.0879","0.0581","","","0.1644","0.1707","","","","","","1.045","","","","has coordinates,has disorder","184924","2020-10-21","18:00:00",""
"4513899","24.5991","0.0011","14.5605","0.0006","25.6393","0.0011","90","","106.121","0.001","90","","8822.2","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H64 Cl2 Co F51 N7 O5 -","- C69 H60 Cl2 Co F51 N7 O5 -","- C276 H240 Cl8 Co4 F204 N28 O20 -","4","1","","Chen, Ba-Tian; Morlanés, Natalia; Adogla, Enoch; Takanabe, Kazuhiro; Rodionov, Valentin O.","An Efficient and Stable Hydrophobic Molecular Cobalt Catalyst for Water Electro-oxidation at Neutral pH","ACS Catalysis","2016","6","7","4647","","10.1021/acscatal.6b01237","","x-ray","0.71073","MoKα","","0.1033","0.0871","","","0.2466","0.2662","","","","","","1.057","","","","has coordinates,has disorder","184925","2020-10-21","18:00:00",""
"4513900","9.8908","0.0002","10.8195","0.0003","12.6228","0.0003","82.7016","0.0013","87.4478","0.0012","81.7877","0.0013","1325.65","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","SKL-20150804","","","- C29 H20 N O3 S -","- C29 H20 N O3 S -","- C58 H40 N2 O6 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.1182","0.097","","","0.2758","0.3058","","","","","","0.968","","","","has coordinates","186239","2020-10-21","18:00:00",""
"4513901","6.3051","0.0004","8.242","0.0005","21.9792","0.0014","90.797","0.004","96.108","0.003","96.816","0.003","1127.27","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","SKL-20150330","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C50 H44 N4 O12 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.115","0.0923","","","0.1901","0.1984","","","","","","1.122","","","","has coordinates","186239","2020-10-21","18:00:00",""
"4513902","18.2143","0.0003","12.64794","0.00018","19.337","0.0004","90","","111.871","0.002","90","","4134.1","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48.9 Cl3 Co2 N8 O16.71 -","- C32 H49 Cl3 Co2 N8 O16.7 -","- C128 H196 Cl12 Co8 N32 O66.8 -","4","1","","Wang, Jia-Wei; Sahoo, Pathik; Lu, Tong-Bu","Reinvestigation of Water Oxidation Catalyzed by a Dinuclear Cobalt Polypyridine Complex: Identification of CoOxas a Real Heterogeneous Catalyst","ACS Catalysis","2016","","","5062","","10.1021/acscatal.6b00798","","x-ray","0.71073","MoKα","","0.0846","0.0644","","","0.1555","0.1741","","","","","","1.025","","","","has coordinates,has disorder","184265","2020-10-21","18:00:00",""
"4513903","13.4223","0.0003","15.5169","0.0003","23.9951","0.0007","90","","104.683","0.001","90","","4834.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 Cl2 N2 O2 Ti -","- C51 H66 Cl2 N2 O2 Ti -","- C204 H264 Cl8 N8 O8 Ti4 -","4","1","","Pletcher, Paul D.; Switzer, Jeffrey M.; Steelman, D. Keith; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M.","Quantitative Comparative Kinetics of 1-Hexene Polymerization across Group IV Bis-Phenolate Catalysts","ACS Catalysis","2016","6","8","5138","","10.1021/acscatal.6b00974","","","0.71073","MoKα","","0.1284","0.0927","","","0.1945","0.2098","","","","","","1.054","","","","has coordinates","186240","2020-10-21","18:00:00",""
"4513904","13.683","0.0013","8.7527","0.0008","16.3494","0.0014","90","","102.176","0.003","90","","1914","0.3","109","2","109","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I Ir N2 -","- C20 H24 I Ir N2 -","- C80 H96 I4 Ir4 N8 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.019","0.0187","","","0.0471","0.0473","","","","","","1.137","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513905","10.646","0.003","17.272","0.005","14.564","0.005","90","","101.437","0.01","90","","2624.8","1.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I Ir N2 O4 -","- C26 H30 I Ir N2 O4 -","- C104 H120 I4 Ir4 N8 O16 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.0687","0.052","","","0.1402","0.1548","","","","","","1.25","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513906","10.6334","0.0006","17.2916","0.001","14.4816","0.0008","90","","101.307","0.004","90","","2611","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I N2 O4 Rh -","- C26 H30 I N2 O4 Rh -","- C104 H120 I4 N8 O16 Rh4 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.1113","0.0487","","","0.0773","0.0937","","","","","","1.026","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513907","19.697","0.003","5.855","0.002","9.532","0.003","90","","95.8","0.02","90","","1093.7","0.5","80","2","80","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H30 Ca O12 -","- C16 H30 Ca O12 -","- C32 H60 Ca2 O24 -","2","0.5","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","0.71073","MoKα","","0.1457","0.0993","","","0.1847","0.2125","","","","","","1.121","","","","has coordinates,has disorder","186952","2020-10-21","18:00:00",""
"4513908","8.768","0.007","9.508","0.006","10.629","0.01","97.45","0.03","100.88","0.03","117.39","0.03","748.4","1.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","1","1","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","1.54178","CuKα","","0.0604","0.0565","","","0.1434","0.1614","","","","","","1.074","","","","has coordinates","186952","2020-10-21","18:00:00",""
"4513910","6.266","0.0004","9.3515","0.0005","9.3563","0.0005","90","","108.635","0.002","90","","519.5","0.05","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl2 O2 Pd S2 -","- C4 H12 Cl2 O2 Pd S2 -","- C8 H24 Cl4 O4 Pd2 S4 -","2","0.5","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0335","0.0334","","","0.0933","0.0934","","","","","","1.14","","","","has coordinates","186951","2020-10-21","18:00:00",""
"4513911","10.1578","0.0003","10.4643","0.0004","16.6141","0.0005","90","","90.274","0.002","90","","1765.96","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 Pd2 -","- C18 H15 Cl2 Pd2 -","- C72 H60 Cl8 Pd8 -","4","1","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0765","0.0711","","","0.1895","0.1959","","","","","","1.116","","","","has coordinates","186951","2020-10-21","18:00:00",""
"4513912","8.9213","0.0001","9.9325","0.0001","20.8095","0.0003","90","","90","","90","","1843.95","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Zhang, Xiao; You, Shu-Li","Enantioselective Synthesis of Pyrrole-Fused Piperazine and Piperazinone Derivatives via Ir-Catalyzed Asymmetric Allylic Amination","ACS Catalysis","2016","6","8","5307","","10.1021/acscatal.6b01585","","","1.54178","CuKα","","0.0274","0.0274","","","0.098","0.0984","","","","","","1.03","","","","has coordinates","186241","2020-10-21","18:00:00",""
"4513917","13.936","0.008","8.669","0.004","18.401","0.01","90","","104.393","0.007","90","","2153","2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","1","","Maity, Soham; Kancherla, Rajesh; Dhawa, Uttam; Hoque, Ehtasimul; Pimparkar, Sandeep; Maiti, Debabrata","Switch to Allylic Selectivity in Cobalt-Catalyzed Dehydrogenative Heck Reactions with Unbiased Aliphatic Olefins","ACS Catalysis","2016","","","5493","","10.1021/acscatal.6b01816","","","0.7107","MoKα","","0.1068","0.0795","","","0.1891","0.2068","","","","","","1.179","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4513918","10.3908","0.0007","11.9666","0.0008","17.1508","0.0013","90","","106.646","0.002","90","","2043.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl4 N8 Pd2 -","- C14 H14 Cl4 N8 Pd2 -","- C56 H56 Cl16 N32 Pd8 -","4","1","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0656","0.0353","","","0.105","0.1295","","","","","","0.882","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513919","13.098","0.004","14.599","0.004","14.668","0.004","90","","113.234","0.012","90","","2577.3","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C80 H72 Cl16 N32 Pd8 -","4","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0955","0.0634","","","0.1442","0.1614","","","","","","1.164","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513920","7.602","0.001","8.298","0.0011","10.7372","0.0015","99.281","0.004","104.335","0.004","102.182","0.004","624.94","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","1","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.1304","0.0748","","","0.165","0.1929","","","","","","1.105","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513921","14.6259","0.0003","13.2292","0.0003","16.0114","0.0003","90","","101.154","0.001","90","","3039.51","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl N3 Ni O -","- C15 H18 Cl N3 Ni O -","- C120 H144 Cl8 N24 Ni8 O8 -","8","1","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.024","0.0219","","","0.0547","0.0559","","","","","","1.078","","","","has coordinates","186953","2020-10-21","18:00:00",""
"4513922","15.7724","0.0004","14.0286","0.0003","16.1653","0.0004","90","","101.236","0.001","90","","3508.25","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N3 Ni O3.5 -","- C17 H21 N3 Ni O3.5 -","- C136 H168 N24 Ni8 O28 -","8","2","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.036","0.0283","","","0.0673","0.0723","","","","","","1.038","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513923","26.861","0.002","7.7454","0.0007","21.4543","0.0019","90","","97.763","0.001","90","","4422.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","AES2-013","Compound-L4-Rh","","- C22 H33 B F4 P Rh -","- C22 H33 B F4 P Rh -","- C176 H264 B8 F32 P8 Rh8 -","8","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0566","0.0412","","","0.0961","0.1068","","","","","","1.032","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513924","10.927","0.002","14.743","0.003","15.848","0.003","106.91","0.009","90.715","0.009","94.619","0.01","2433","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-295","Compound-L2c-Rh","","- C26 H35 B F4 P Rh -","- C26 H35 B F4 P Rh -","- C104 H140 B4 F16 P4 Rh4 -","4","2","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0289","0.0234","","","0.0527","0.0554","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513925","10.1423","0.0004","10.3515","0.0004","12.0166","0.0005","91.342","0.002","100.981","0.001","115.42","0.001","1110.7","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-297","Compound-(L5)Rh","","- C22 H35 B F4 P Rh -","- C22 H35 B F4 P Rh -","- C44 H70 B2 F8 P2 Rh2 -","2","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0214","0.0204","","","0.0512","0.052","","","","","","1.082","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513926","9.48","0.004","5.679","0.002","19.061","0.007","90","","100.77","0.009","90","","1008.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C42 H40 Cl2 N6 O8 -","2","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.1213","0.0855","","","0.2099","0.2354","","","","","","0.982","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513927","7.1807","0.0016","13.199","0.003","19.659","0.004","90","","90","","90","","1863.2","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C84 H80 Cl4 N12 O16 -","4","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.0408","0.0354","","","0.0851","0.0888","","","","","","1.025","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513928","8.6908","0.0004","10.3574","0.0004","13.9701","0.0006","90","","90","","90","","1257.51","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Janssen-Müller, Daniel; Fleige, Mirco; Schlüns, Danny; Wollenburg, Marco; Daniliuc, Constantin G.; Neugebauer, Johannes; Glorius, Frank","NHC-Catalyzed Enantioselective Dearomatizing Hydroacylation of Benzofurans and Benzothiophenes for the Synthesis of Spirocycles","ACS Catalysis","2016","6","9","5735","","10.1021/acscatal.6b01852","","","1.54178","CuKα","","0.037","0.0337","","","0.0797","0.0821","","","","","","1.071","","","","has coordinates","186246","2020-10-21","18:00:00",""
"4513930","9.7885","0.0003","32.8507","0.0011","26.2822","0.0009","90","","93.385","0.002","90","","8436.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MGL-8-090","","","- C39 H70 O2 P2 Pd2 -","- C39 H70 O2 P2 Pd2 -","- C312 H560 O16 P16 Pd16 -","8","2","","Lauer, Matthew G.; Headford, Benjamin R.; Gobble, Olivia M.; Weyhaupt, Michelle B.; Gerlach, Deidra L.; Zeller, Matthias; Shaughnessy, Kevin H.","A Trialkylphosphine-Derived Palladacycle as a Catalyst in the Selective Cross-Dimerization of Terminal Arylacetylenes with Terminal Propargyl Alcohols and Amides","ACS Catalysis","2016","6","9","5834","","10.1021/acscatal.6b01541","","","0.71073","MoKα","","0.0306","0.0251","","","0.0541","0.0563","","","","","","1.074","","","","has coordinates,has disorder","186250","2020-10-21","18:00:00",""
"4513931","17.0431","0.0006","25.6881","0.0009","10.2924","0.0003","90","","90.01","0.001","90","","4506.1","0.3","128","2","128","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C156 H288 N24 O36 -","12","3","","Kim, Hyunwoo; Park, Gyeongtae; Park, Juhyeon; Chang, Sukbok","A Facile Access to Primary Alkylamines and Anilines via Ir(III)-Catalyzed C‒H Amidation Using Azidoformates","ACS Catalysis","2016","","","5922","","10.1021/acscatal.6b01869","","","0.71073","MoKα","","0.1088","0.0673","","","0.143","0.163","","","","","","1.013","","","","has coordinates","185685","2020-10-21","18:00:00",""
"4513932","13.8177","0.0016","16.467","0.002","14.0445","0.0017","90","","109.613","0.0017","90","","3010.2","0.6","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F6 N2 O3 Rh S Sb -","- C28 H32 F6 N2 O3 Rh S Sb -","- C112 H128 F24 N8 O12 Rh4 S4 Sb4 -","4","1","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.0613","0.0421","","","0.0889","0.0977","","","","","","1.068","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513933","9.8739","0.001","10.6233","0.0011","13.8412","0.0013","86.937","0.003","77.911","0.003","89.004","0.003","1417.6","0.2","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 Cl3 N3 O7 S -","- C28 H24 Cl3 N3 O7 S -","- C56 H48 Cl6 N6 O14 S2 -","2","2","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.1217","0.071","","","0.1508","0.1851","","","","","","1.032","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513934","17.653","0.004","12.7","0.003","9.4888","0.0019","90","","93.31","0.03","90","","2123.8","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O4 S2 -","- C22 H18 N2 O4 S2 -","- C88 H72 N8 O16 S8 -","4","1","","Pan, Fei; Li, Xin-Ling; Chen, Xiu-Mei; Shu, Chao; Ruan, Peng-Peng; Shen, Cang-Hai; Lu, Xin; Ye, Long-Wu","Catalytic Ynamide Oxidation Strategy for the Preparation of α-Functionalized Amides","ACS Catalysis","2016","6","9","6055","","10.1021/acscatal.6b01599","","","0.71073","MoKα","","0.165","0.0873","","","0.2359","0.3512","","","","","","1.048","","","","has coordinates","186244","2020-10-21","18:00:00",""
"4513935","9.2103","0.0004","9.7574","0.0004","14.5275","0.0006","75.23","0.001","88.275","0.001","69.461","0.001","1179.64","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O5 -","- C29 H25 N O5 -","- C58 H50 N2 O10 -","2","1","","Jiang, Liqin; Jin, Weifeng; Hu, Wenhao","Double C‒H Functionalization of Indoles via Three-Component Reactions/CuCl2-Catalyzed Aerobic Dehydrogenative Coupling for the Synthesis of Polyfunctional Cyclopenta[b]indoles","ACS Catalysis","2016","6","9","6146","","10.1021/acscatal.6b01946","","","0.71073","MoKα","","0.0774","0.0492","","","0.1238","0.1472","","","","","","1.019","","","","has coordinates","186245","2020-10-21","18:00:00",""
"4513936","8.0059","0.0011","12.7607","0.0017","18.742","0.003","90","","90","","90","","1914.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 I2 N2 -","- C20 H20 I2 N2 -","- C80 H80 I8 N8 -","4","1","","Yu, Xiao-Long; Kuang, Liping; Chen, Su; Zhu, Xiao-Long; Li, Zhong-Liang; Tan, Bin; Liu, Xin-Yuan","Counteranion-Controlled Unprecedented Diastereo- and Enantioselective Tandem Formal Povarov Reaction for Construction of Bioactive Octahydro-Dipyrroloquinolines","ACS Catalysis","2016","","","6182","","10.1021/acscatal.6b01492","","","0.71073","MoKα","","0.0347","0.0293","","","0.0723","0.0755","","","","","","1.023","","","","has coordinates","185871","2020-10-21","18:00:00",""
"4513938","9.842","0.0019","11.556","0.002","9.8592","0.0019","90","","97.807","0.003","90","","1110.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl O2 -","- C25 H31 Cl O2 -","- C50 H62 Cl2 O4 -","2","1","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0338","0.0326","","","0.082","0.0828","","","","","","1.046","","","","has coordinates","187878","2020-10-21","18:00:00",""
"4513939","10.9646","0.0006","16.3287","0.0009","11.9006","0.0007","90","","110.493","0.002","90","","1995.8","0.2","102","2","102","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(MeCN)2(1b)](BF4)2 (8b)","","","- C39 H46 B2 F8 Fe N4 P2 -","- C39 H46 B2 F8 Fe N4 P2 -","- C78 H92 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0743","0.0527","","","0.1166","0.1272","","","","","","1.022","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513940","10.4939","0.001","10.7859","0.001","13.5065","0.0013","101.154","0.003","92.256","0.003","102.353","0.003","1459.9","0.2","103","2","103","2","","","","","","","","8","P 1","P 1","1","[Fe(CNAd)2(1b)](BF4)2, 2 CH2Cl2 (3c)","","","- C59 H74 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","1","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0694","0.0528","","","0.1213","0.1304","","","","","","1.018","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513941","17.3254","0.0013","30.92","0.003","23.005","0.002","90","","90.359","0.003","90","","12323.6","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H33.5 Co F10 N6.5 O1.71 -","- C65.5 H33.5 Co F10 N6.5 O1.706 -","- C524 H268 Co8 F80 N52 O13.648 -","8","2","","Lei, Haitao; Liu, Chengyu; Wang, Zhaojun; Zhang, Zongyao; Zhang, Meining; Chang, Xingmao; Zhang, Wei; Cao, Rui","Noncovalent Immobilization of a Pyrene-Modified Cobalt Corrole on Carbon Supports for Enhanced Electrocatalytic Oxygen Reduction and Oxygen Evolution in Aqueous Solutions","ACS Catalysis","2016","6","10","6429","","10.1021/acscatal.6b01579","","","0.71073","MoKα","","0.1926","0.1315","","","0.3704","0.4059","","","","","","1.459","","","","has coordinates,has disorder","187884","2020-10-21","18:00:00",""
"4513942","8.4122","0.0004","11.7102","0.0005","14.7141","0.0006","90","","103.893","0.004","90","","1407.06","0.11","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Au F6 N4 Sb -","- C22 H32 Au F6 N4 Sb -","- C44 H64 Au2 F12 N8 Sb2 -","2","0.5","","Bartolomé, Camino; Ramiro, Zoraida; Peñas-Defrutos, Marconi N.; Espinet, Pablo","Some Singular Features of Gold Catalysis: Protection of Gold(I) Catalysts by Substoichiometric Agents and Associated Phenomena","ACS Catalysis","2016","6","10","6537","","10.1021/acscatal.6b01825","","x-ray","0.71073","MoKα","","0.0534","0.0319","","","0.0739","0.0877","","","","","","1.031","","","","has coordinates","187883","2020-10-21","18:00:00",""
"4513943","10.6797","0.0004","38.6444","0.0013","25.5186","0.001","90","","94.5702","0.0018","90","","10498.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 B2 F20 N O Zr -","- C55 H51 B2 F20 N O Zr -","- C440 H408 B16 F160 N8 O8 Zr8 -","8","2","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.1218","0.0492","","","0.0867","0.1109","","","","","","0.994","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513944","10.8416","0.0002","16.5385","0.0003","18.9008","0.0003","68.2519","0.0009","74.0118","0.001","72.1388","0.001","2945.45","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C124 H123 B4 Cl F40 N2 O2 Zr2 -","2","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0439","0.0362","","","0.0877","0.0925","","","","","","1.028","","","","has coordinates,has disorder","187881","2020-10-21","18:00:00",""
"4513945","17.1305","0.0006","10.7085","0.0004","29.9187","0.001","90","","90","","90","","5488.3","0.3","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H51 B F20 N2 O Zr -","- C60 H51 B F20 N2 O Zr -","- C240 H204 B4 F80 N8 O4 Zr4 -","4","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0517","0.0371","","","0.0744","0.08","","","","","","1.018","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513946","9.419","0.0008","8.8409","0.0005","11.6624","0.0011","90","","112.966","0.01","90","","894.18","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Zhang, Heyi; Lu, Zhan","Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes","ACS Catalysis","2016","6","10","6596","","10.1021/acscatal.6b02278","","","1.54184","CuKα","","0.0596","0.0479","","","0.1239","0.1407","","","","","","1.039","","","","has coordinates","187887","2020-10-21","18:00:00",""
"4513948","12.3061","0.001","12.6455","0.001","13.1675","0.001","78.8847","0.0012","71.0045","0.0012","87.4156","0.0012","1900.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Zhiyao042215","","","- C25 H38 B3 Cl2 I N12 Ni2 -","- C25 H38 B3 Cl2 I N12 Ni2 -","- C50 H76 B6 Cl4 I2 N24 Ni4 -","2","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0328","0.0244","","","0.0555","0.0584","","","","","","1.032","","","","has coordinates,has disorder","187880","2020-10-21","18:00:00",""
"4513949","22.9867","0.0014","8.2956","0.0005","32.6131","0.0019","90","","109.922","0.001","90","","5846.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H68 Cl2 N8 Ni3 O4 -","- C59 H68 Cl2 N8 Ni3 O4 -","- C236 H272 Cl8 N32 Ni12 O16 -","4","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0783","0.0486","","","0.1171","0.1316","","","","","","1.03","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4513950","8.2687","0.0007","19.3361","0.0015","8.7596","0.0007","90","","115.029","0.001","90","","1269.01","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 B I N4 -","- C24 H30 B I N4 -","- C48 H60 B2 I2 N8 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0395","0.0351","","","0.0777","0.0789","","","","","","1.288","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4513951","9.586","0.004","12.006","0.005","18.204","0.009","90","","96.216","0.011","90","","2082.8","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H55 Cl N4 Ni O0 -","- C40 H55 Cl N4 Ni -","- C80 H110 Cl2 N8 Ni2 -","2","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0865","0.0676","","","0.1662","0.1771","","","","","","1.002","","","","has coordinates,has disorder","187882","2020-10-21","18:00:00",""
"4513952","12.7494","0.0012","28.039","0.003","11.5771","0.0011","90","","90","","90","","4138.6","0.7","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H57 Cl3 N4 Ni O -","- C42 H57 Cl3 N4 Ni O -","- C168 H228 Cl12 N16 Ni4 O4 -","4","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0653","0.0522","","","0.1218","0.1277","","","","","","1.045","","","","has coordinates","187882","2020-10-21","18:00:00",""
"4513953","45.941","0.003","8.7162","0.0006","14.6019","0.001","90","","102.274","0.001","90","","5713.4","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H55 Cl P2 Pd -","- C24 H55 Cl P2 Pd -","- C192 H440 Cl8 P16 Pd8 -","8","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0425","0.0296","","","0.0727","0.0819","","","","","","1.02","","","","has coordinates,has disorder","187885","2020-10-21","18:00:00",""
"4513954","4.5967","0.0006","12.2704","0.0016","15.393","0.002","90","","94.473","0.002","90","","865.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O2 -","- C10 H8 N O2 -","- C40 H32 N4 O8 -","4","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0554","0.0493","","","0.1348","0.1412","","","","","","0.984","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4513955","4.6759","0.0016","11.637","0.004","12.148","0.004","101.704","0.006","94.481","0.006","97.981","0.006","637.1","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","2","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0825","0.0559","","","0.1317","0.152","","","","","","1.005","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4513956","14.349","0.01","9.776","0.007","16.959","0.013","90","","108.332","0.009","90","","2258","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br O2 P -","- C25 H24 Br O2 P -","- C100 H96 Br4 O8 P4 -","4","1","","Toda, Yasunori; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Carbon Dioxide Fixation at Atmospheric Pressure for the Synthesis of Cyclic Carbonates","ACS Catalysis","2016","6","10","6906","","10.1021/acscatal.6b02265","","","0.71073","MoKα","","0.0666","0.0411","","","0.103","0.1097","","","","","","0.907","","","","has coordinates","187877","2020-10-21","18:00:00",""
"4513958","8.8773","0.0008","7.1193","0.0004","14.0576","0.0011","90","","103.929","0.008","90","","862.32","0.12","295","2","295.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C32 H30 Br2 O8 S2 -","2","1","","Tan, Fei; Liu, Xiaohua; Hao, Xiaoyu; Tang, Yu; Lin, Lili; Feng, Xiaoming","Asymmetric Catalytic Insertion of α-Diazo Carbonyl Compounds into O‒H Bonds of Carboxylic Acids","ACS Catalysis","2016","","","6930","","10.1021/acscatal.6b02184","","x-ray","0.71073","MoKα","","0.0584","0.0406","","","0.065","0.072","","","","","","1.001","","","","has coordinates","186660","2020-10-21","18:00:00",""
"4513960","9.45565","0.00011","18.07717","0.0002","13.18336","0.00016","90","","103.903","0.0012","90","","2187.43","0.05","180","0.14","180","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C88 H104 N8 O24 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.5418","CuKα","","0.0404","0.0361","","","0.093","0.0974","","","","","","1.051","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513961","11.81121","0.0001","8.41417","0.00006","16.5698","0.00018","90","","90.8215","0.0008","90","","1646.56","0.03","180","3","180","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0317","0.031","","","0.0814","0.082","","","","","","1.022","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513962","10.28582","0.00014","9.52978","0.00012","16.564","0.0002","90","","90.4024","0.0012","90","","1623.59","0.04","180.2","0.7","180.2","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C76 H68 N4 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.089","0.0914","","","","","","1.029","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513963","5.45149","0.00006","15.7094","0.00012","38.6948","0.0003","90","","90","","90","","3313.81","0.05","180","0.14","180","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0348","0.0327","","","0.0789","0.0798","","","","","","1.065","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513967","25.4511","0.0017","14.4307","0.0009","18.9787","0.0012","90","","90","","90","","6970.4","0.8","193","2","193","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C61.75 H82.75 Au3 B Cl5.25 F4 O P3 -","- C61.75 H82.75 Au3 B Cl5.25 F4 O P3 -","- C247 H331 Au12 B4 Cl21 F16 O4 P12 -","4","1","","Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C.","Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold","ACS Catalysis","2016","","","7357","","10.1021/acscatal.6b01674","","","0.71073","MoKα","","0.0415","0.0349","","","0.0841","0.0877","","","","","","1.043","","","","has coordinates,has disorder","186907","2020-10-21","18:00:00",""
"4513968","9.1823","0.0004","9.5417","0.0006","26.1911","0.0013","90.453","0.001","90.84","0.001","114.659","0.001","2084.99","0.19","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H55 Au Cl2 N2 O -","- C45 H55 Au Cl2 N2 O -","- C90 H110 Au2 Cl4 N4 O2 -","2","1","","Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C.","Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold","ACS Catalysis","2016","","","7357","","10.1021/acscatal.6b01674","","","0.71073","MoKα","","0.0323","0.0299","","","0.0716","0.0726","","","","","","1.167","","","","has coordinates,has disorder","186907","2020-10-21","18:00:00",""
"4513969","16.333","0.002","8.8197","0.0011","19.533","0.002","90","","90.342","0.001","90","","2813.7","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Au O P -","- C35 H32 Au O P -","- C140 H128 Au4 O4 P4 -","4","1","","Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C.","Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold","ACS Catalysis","2016","","","7357","","10.1021/acscatal.6b01674","","","0.71073","MoKα","","0.0656","0.0367","","","0.0658","0.0739","","","","","","0.963","","","","has coordinates,has disorder","186907","2020-10-21","18:00:00",""
"4513970","34.388","0.002","34.853","0.002","13.3846","0.0007","90","","90","","90","","16041.8","1.6","123","2","123","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 N4 O16 V2 -","- C84 H84 Cd2 N4 O16 V2 -","- C336 H336 Cd8 N16 O64 V8 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1238","0.0984","","","0.2644","0.2805","","","","","","1.074","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513971","33.9506","0.0014","35.3214","0.0012","13.4377","0.0005","90","","90","","90","","16114.3","1","123","2","123","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 Cu N4 O16 V -","- C84 H84 Cd2 Cu N4 O16 V -","- C336 H336 Cd8 Cu4 N16 O64 V4 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1264","0.0978","","","0.2471","0.2666","","","","","","1.076","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513972","6.0503","0.0007","14.698","0.002","18.444","0.003","90","","90","","90","","1640.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","1.54178","CuKα","","0.0557","0.0446","","","0.1024","0.1111","","","","","","0.977","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513973","5.7336","0.0001","16.8181","0.0005","17.4381","0.0006","90","","90","","90","","1681.53","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","0.71073","MoKα","","0.0836","0.0638","","","0.1159","0.1269","","","","","","1.152","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513974","11.0213","0.0018","23.615","0.004","16.094","0.003","90","","105.537","0.002","90","","4035.7","1.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl O P2 Pd -","- C45 H37 Cl O P2 Pd -","- C180 H148 Cl4 O4 P8 Pd4 -","4","1","","Chatterjee, Anamitra; Hopen Eliasson, Sondre H.; Törnroos, Karl W.; Jensen, Vidar R.","Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins","ACS Catalysis","2016","6","11","7784","","10.1021/acscatal.6b02460","","","0.71073","MoKα","","0.0569","0.0421","","","0.0981","0.1045","","","","","","1.068","","","","has coordinates","188906","2020-10-21","18:00:00",""
"4513975","9.6991","0.0008","9.587","0.0007","13.7942","0.0013","90","","105.113","0.009","90","","1238.29","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 S -","- C11 H13 Br O2 S -","- C44 H52 Br4 O8 S4 -","4","2","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.1015","0.0584","","","0.0994","0.1177","","","","","","1.01","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513976","5.4678","0.0005","8.6283","0.0004","18.6625","0.001","90","","91.41","0.007","90","","880.19","0.1","269.85","0.1","269.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C40 H42 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.0749","0.0464","","","0.0963","0.11","","","","","","1.028","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4513977","8.8973","0.0003","6.9477","0.0003","12.2822","0.0005","90","","100.56","0.004","90","","746.37","0.05","293.28","0.1","293.28","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C32 H30 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","1.54184","CuKα","","0.07","0.0692","","","0.1778","0.1792","","","","","","1.083","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4513978","9.1361","0.0019","10.454","0.002","10.987","0.002","109.018","0.003","100.334","0.003","109.417","0.003","885.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl3 Ir N2 O5 -","- C14 H16 Cl3 Ir N2 O5 -","- C28 H32 Cl6 Ir2 N4 O10 -","2","1","","Abril, Paula; del R\?ío, M. Pilar; Tejel, Cristina; Verhoeven, Tiny W. G. M.; Niemantsverdriet, J. W. Hans; Van der Ham, Cornelis J. M.; Kottrup, Konstantin G.; Hetterscheid, Dennis G. H.","Detangling Catalyst Modification Reactions from the Oxygen Evolution Reaction by Online Mass Spectrometry","ACS Catalysis","2016","","","7872","","10.1021/acscatal.6b02800","","","0.71073","MoKα","","0.0566","0.0371","","","0.0693","0.075","","","","","","1.045","","","","has coordinates","187480","2020-10-21","18:00:00",""
"4513979","10.7287","0.0003","11.7933","0.0003","20.5611","0.0006","100.143","0.001","97.14","0.001","93.382","0.001","2532.29","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H71 Cu Fe N2 O3 Si2 -","- C51 H71 Cu Fe N2 O3 Si2 -","- C102 H142 Cu2 Fe2 N4 O6 Si4 -","2","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.1133","0.0633","","","0.135","0.1579","","","","","","1.023","","","","has coordinates","188907","2020-10-21","18:00:00",""
"4513980","11.9549","0.0002","10.1772","0.0002","40.3744","0.0006","90","","95.356","0.001","90","","4890.8","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 Cu D6 Fe N2 O3 -","- C52 H62 Cu D6 Fe N2 O3 -","- C208 H248 Cu4 D24 Fe4 N8 O12 -","4","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.0796","0.0649","","","0.1635","0.1764","","","","","","1.051","","","","has coordinates,has disorder","188907","2020-10-21","18:00:00",""
"4513981","20.4853","0.0002","14.08083","0.00013","22.6949","0.0003","90","","95.5664","0.001","90","","6515.47","0.12","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H51 Fe N2 P -","- C34 H51 Fe N2 P -","- C272 H408 Fe8 N16 P8 -","8","1","","Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L.","Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight","ACS Catalysis","2016","6","11","7892","","10.1021/acscatal.6b02290","","x-ray","1.54184","CuKα","","0.0352","0.0309","","","0.0768","0.0794","","","","","","1.033","","","","has coordinates","188903","2020-10-21","18:00:00",""
"4513982","8.463","0.0019","20.965","0.008","35.984","0.012","90","","90","","90","","6385","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(pentamethylcyclopentadienyl)(triphenylphosphinimido) titanium dichloride benzene solvate","","- C34 H36 Cl2 N P Ti -","- C34 H36 Cl2 N P Ti -","- C272 H288 Cl16 N8 P8 Ti8 -","8","1","","Ehm, Christian; Cipullo, Roberta; Passaro, Miriana; Zaccaria, Francesco; Budzelaar, Peter H. M.; Busico, Vincenzo","Chain Transfer to Solvent in Propene Polymerization with Ti Cp-phosphinimide Catalysts: Evidence for Chain Termination via Ti‒C Bond Homolysis","ACS Catalysis","2016","","","7989","","10.1021/acscatal.6b02738","","","0.71073","MoKα","","0.0885","0.049","","","0.1007","0.115","","","","","","1.049","","","","has coordinates","187627","2020-10-21","18:00:00",""
"4513983","33.03","0.003","14.5141","0.0015","23.743","0.002","90","","106.097","0.002","90","","10936.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.38 H57 Cl1.75 N4 O9 -","- C60.375 H57 Cl1.75 N4 O9 -","- C483 H456 Cl14 N32 O72 -","8","2","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0947","0.0736","","","0.1833","0.1982","","","","","","1.058","","","","has coordinates,has disorder","187792","2020-10-21","18:00:00",""
"4513984","10.405","0.0004","14.2652","0.0006","14.6935","0.0006","90","","90","","90","","2180.95","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N3 O2 -","- C24 H24 Cl N3 O2 -","- C96 H96 Cl4 N12 O8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca","Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity","ACS Catalysis","2016","6","10","6473","","10.1021/acscatal.6b01962","","","0.71073","MoKα","","0.0639","0.0466","","","0.1365","0.1719","","","","","","0.964","","","","has coordinates,has disorder","187793","2020-10-21","18:00:00",""
"4513985","8.3462","0.0002","8.4556","0.0002","8.796","0.0002","113.763","0.002","101.75","0.002","91.594","0.002","552.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Zhiyao100315","","","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","1","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","1.54184","CuKα","","0.0468","0.0428","","","0.1156","0.1189","","","","","","1.154","","","","has coordinates","187794","2020-10-21","18:00:00",""
"4513986","6.8569","0.0006","16.0355","0.0013","8.668","0.0007","90","","98.926","0.001","90","","941.54","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 N8 Ni -","- C16 H24 B2 N8 Ni -","- C32 H48 B4 N16 Ni2 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0481","0.0313","","","0.0682","0.0738","","","","","","1.037","","","","has coordinates","187795","2020-10-21","18:00:00",""
"4513987","12.7894","0.0009","10.6893","0.0007","14.2151","0.001","90","","99.57","0.001","90","","1916.3","0.2","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","24","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng","TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones","ACS Catalysis","2016","","","8389","","10.1021/acscatal.6b03076","","","0.71073","MoKα","","0.0574","0.048","","","0.1174","0.1227","","","","","","1.052","","","","has coordinates,has disorder","188570","2020-10-21","18:00:00",""
"4513988","12.469","0.003","13.936","0.003","8.2701","0.0017","90","","96.849","0.002","90","","1426.8","0.5","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng","TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones","ACS Catalysis","2016","","","8389","","10.1021/acscatal.6b03076","","","0.71073","MoKα","","0.0647","0.05","","","0.1232","0.1341","","","","","","1.066","","","","has coordinates","188571","2020-10-21","18:00:00",""
"4513990","24.0185","0.0009","5.3968","0.0002","20.965","0.0006","90","","94.688","0.002","90","","2708.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 O4 P2 -","- C30 H30 O4 P2 -","- C120 H120 O16 P8 -","4","1","","Ilies, Laurean; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi","Iron/Zinc-Co-catalyzed Directed Arylation and Alkenylation of C(sp3)‒H Bonds with Organoborates","ACS Catalysis","2016","","","89","","10.1021/acscatal.6b02927","","","1.54187","CuKα","","0.2505","0.1068","","","0.2531","0.3251","","","","","","0.887","","","","has coordinates","188778","2020-10-21","18:00:00",""
"4513993","18.9022","0.0003","9.9937","0.0002","43.3265","0.0007","90","","91.431","0.0016","90","","8181.9","0.2","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H30 Ni O2 P2 -","- C30 H30 Ni O2 P2 -","- C360 H360 Ni12 O24 P24 -","12","1.5","","Dey, Aniruddha; Sasmal, Sheuli; Seth, Kapileswar; Lahiri, Goutam Kumar; Maiti, Debabrata","Nickel-Catalyzed Deamidative Step-Down Reduction of Amides to Aromatic Hydrocarbons","ACS Catalysis","2016","","","433","","10.1021/acscatal.6b03040","","x-ray","0.71073","MoKα","","0.0512","0.0356","","","0.1059","0.1343","","","","","","1.226","","","","has coordinates","189519","2020-10-21","18:00:00",""
"4513994","15.431","0.005","16.964","0.005","23.348","0.007","90","","90","","90","","6112","3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 Cu2 N10 -","- C46 H52 Cu2 N10 -","- C184 H208 Cu8 N40 -","4","1","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.2579","0.1642","","","0.3988","0.4354","","","","","","1.354","","","","has coordinates","191331","2020-10-21","18:00:00",""
"4513995","8.6779","0.0005","9.0204","0.0006","12.802","0.0006","92.405","0.005","96.467","0.005","113.588","0.006","908.37","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br Cl O4 -","- C18 H20 Br Cl O4 -","- C36 H40 Br2 Cl2 O8 -","2","1","","Gao, Yuzhen; Zhang, Pengbo; Ji, Zhe; Tang, Guo; Zhao, Yufen","Copper-Catalyzed Cascade Radical Addition‒Cyclization Halogen Atom Transfer between Alkynes and Unsaturated α-Halogenocarbonyls","ACS Catalysis","2016","","","186","","10.1021/acscatal.6b03033","","","1.54184","CuKα","","0.0598","0.0579","","","0.1621","0.1657","","","","","","1.046","","","","has coordinates","189521","2020-10-21","18:00:00",""
"4513996","9.4351","0.0016","12.256","0.002","13.14","0.002","90","","90","","90","","1519.5","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C64 H68 Br4 O20 -","4","1","","Uyanik, Muhammet; Sasakura, Niiha; Mizuno, Masahiro; Ishihara, Kazuaki","Enantioselective Synthesis of Masked Benzoquinones Using Designer Chiral Hypervalent Organoiodine(III) Catalysis","ACS Catalysis","2016","","","872","","10.1021/acscatal.6b03380","","","0.71073","MoKα","","0.0293","0.0265","","","0.0641","0.0651","","","","","","1.005","","","","has coordinates","189522","2020-10-21","18:00:00",""
"4513997","10.2112","0.0007","7.7666","0.0005","27.5135","0.0019","90","","90","","90","","2182","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","1","","Potter, Tyler J.; Kamber, David N.; Mercado, Brandon Q.; Ellman, Jonathan A.","Rh(III)-Catalyzed Aryl and Alkenyl C‒H Bond Addition to Diverse Nitroalkenes","ACS Catalysis","2016","","","150","","10.1021/acscatal.6b03217","","","1.54178","CuKα","","0.0302","0.0292","","","0.0727","0.0735","","","","","","1.07","","","","has coordinates","189523","2020-10-21","18:00:00",""
"4513998","10.9835","0.0007","12.2187","0.0008","13.4045","0.001","62.987","0.007","70.987","0.006","71.821","0.006","1486.2","0.2","279.6","","279.6","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 B N O4 S -","- C31 H36 B N O4 S -","- C62 H72 B2 N2 O8 S2 -","2","1","","Xi, Tuo; Lu, Zhan","Cobalt-Catalyzed Ligand-Controlled Regioselective Hydroboration/Cyclization of 1,6-Enynes","ACS Catalysis","2017","","","1181","","10.1021/acscatal.6b02816","","","0.71073","MoKα","","0.0859","0.0525","","","0.122","0.1478","","","","","","1.025","","","","has coordinates","190351","2020-10-21","18:00:00",""
"4513999","8.1455","0.0008","16.5588","0.0016","20.962","0.002","90","","94.132","0.002","90","","2820","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Iridiumcpstarnpligand","","","- C25 H39 Cl F3 Ir N O3 P S -","- C25 H39 Cl F3 Ir N O3 P S -","- C100 H156 Cl4 F12 Ir4 N4 O12 P4 S4 -","4","1","","Celaje, Jeff Joseph A.; Zhang, Xingyue; Zhang, Forrest; Kam, Lisa; Herron, Jessica R.; Williams, Travis J.","A Base and Solvent-Free Ruthenium-Catalyzed Alkylation of Amines","ACS Catalysis","2017","7","2","1136","","10.1021/acscatal.6b03088","","","0.71073","MoKα","","0.0475","0.0338","","","0.0697","0.0742","","","","","","1.039","","","","has coordinates","191330","2020-10-21","18:00:00",""
"4514003","12.3423","0.0011","19.324","0.0017","21.3802","0.0019","88.813","0.002","82.852","0.002","76.64","0.001","4922.5","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 Ni O5 P2 S Si -","- C53 H50 Ni O5 P2 S Si -","- C212 H200 Ni4 O20 P8 S4 Si4 -","4","2","","Chen, Min; Chen, Changle","Rational Design of High-Performance Phosphine Sulfonate Nickel Catalysts for Ethylene Polymerization and Copolymerization with Polar Monomers","ACS Catalysis","2017","","","1308","","10.1021/acscatal.6b03394","","","0.71073","MoKα","","0.1199","0.0545","","","0.1038","0.1189","","","","","","1.039","","","","has coordinates","190667","2020-10-21","18:00:00",""
"4514007","9.6788","0.0017","11.2486","0.0018","16.793","0.004","90","","90","","90","","1828.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H32 N2 O3 -","- C15 H32 N2 O3 -","- C60 H128 N8 O12 -","4","1","","Cañellas, Santiago; Ayats, Carles; Henseler, Andrea H.; Pericàs, Miquel A.","A Highly Active Polymer-Supported Catalyst for Asymmetric Robinson Annulations in Continuous Flow","ACS Catalysis","2017","","","","","10.1021/acscatal.6b03286","","","0.71073","MoKα","","0.0461","0.0378","","","0.0937","0.0985","","","","","","1.053","","","","has coordinates","190782","2020-10-21","18:00:00",""
"4514008","9.0973","0.0002","8.2011","0.0002","22.9008","0.0006","90","","99.357","0.001","90","","1685.85","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 N O3 S -","- C17 H24 N O3 S -","- C68 H96 N4 O12 S4 -","4","2","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0359","0.0343","","","0.0915","0.0932","","","","","","1.034","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4514010","12.546","0.003","14.078","0.003","17.037","0.005","67.591","0.01","72.379","0.009","69.555","0.009","2556.2","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H46 Al F15 N3 O Re -","- C54 H46 Al F15 N3 O Re -","- C108 H92 Al2 F30 N6 O2 Re2 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","","0.71073","MoKα","","0.0528","0.0481","","","0.1268","0.1301","","","","","","1.1","","","","has coordinates,has disorder","191225","2020-10-21","18:00:00",""
"4514011","15.6648","0.0007","13.4862","0.0005","17.082","0.0008","90","","105.914","0.002","90","","3470.4","0.3","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H47 Cl N3 O Re -","- C37.5 H47 Cl N3 O Re -","- C150 H188 Cl4 N12 O4 Re4 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0203","","","0.0427","0.0458","","","","","","1.035","","","","has coordinates,has disorder","191226","2020-10-21","18:00:00",""
"4514012","16.946","0.003","13.855","0.003","12.2464","0.0014","90","","100.543","0.011","90","","2826.8","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 N3 O8 S2 -","- C28 H27 N3 O8 S2 -","- C112 H108 N12 O32 S8 -","4","1","","Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles","ACS Catalysis","2017","7","2","1053","","10.1021/acscatal.6b03248","","x-ray","1.54178","CuKα","","0.0334","0.0321","","","0.0795","0.0806","","","","","","1.045","","","","has coordinates","191227","2020-10-21","18:00:00",""
"4514013","6.72474","0.00006","16.401","0.0002","17.4977","0.0002","90","","90","","90","","1929.86","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C100 H96 O12 -","4","1","","James, Jinju; Guiry, Patrick J.","Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation","ACS Catalysis","2017","7","2","1397","","10.1021/acscatal.6b03355","","","1.54184","CuKα","","0.0292","0.0276","","","0.068","0.0692","","","","","","1.038","","","","has coordinates","191228","2020-10-21","18:00:00",""
"4514014","8.2785","0.0005","8.9703","0.0005","14.5673","0.0008","76.336","0.002","87.282","0.002","65.557","0.002","955.4","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Au Cl5 N O2 -","- C16 H13 Au Cl5 N O2 -","- C32 H26 Au2 Cl10 N2 O4 -","2","1","","Tomás-Mendivil, Eder; Heinrich, Clément F.; Ortuno, Jean-Claude; Starck, Jérôme; Michelet, Véronique","Gold-Catalyzed Access to 1H-Isochromenes: Reaction Development and Mechanistic Insight","ACS Catalysis","2017","7","1","380","","10.1021/acscatal.6b02636","","","1.5418","CuKα","","0.0305","0.0299","","","0.0767","0.0773","","","","","","1.078","","","","has coordinates","191229","2020-10-21","18:00:00",""
"4514015","47.1143","0.0006","4.86847","0.00008","16.0241","0.0002","90","","97.7446","0.0011","90","","3641.99","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 F3 I N O3 -","- C17 H19 F3 I N O3 -","- C136 H152 F24 I8 N8 O24 -","8","1","","Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben","Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides","ACS Catalysis","2017","7","1","409","","10.1021/acscatal.6b03205","","","0.7107","MoKα","","0.0363","0.0328","","","0.0949","0.0972","","","","","","1.033","","","","has coordinates,has disorder","191230","2020-10-21","18:00:00",""
"4514016","11.3017","0.0015","13.5088","0.0015","14.966","0.002","90","","108.686","0.004","90","","2164.5","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Cu2 N10 -","- C46 H56 Cu2 N10 -","- C92 H112 Cu4 N20 -","2","0.5","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.0422","0.0315","","","0.0766","0.0816","","","","","","1.036","","","","has coordinates","191231","2020-10-21","18:00:00",""
"4514017","20.4817","0.0014","20.4817","0.0014","21.6349","0.0017","90","","90","","90","","9075.8","1.1","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C35 H54 Cl2 Cu2 N10 -","- C35 H54 Cl2 Cu2 N10 -","- C280 H432 Cl16 Cu16 N80 -","8","","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.072","0.0606","","","0.1706","0.1843","","","","","","1.071","","","","has coordinates,has disorder","191232","2020-10-21","18:00:00",""
"4514023","15.3747","0.0012","16.9302","0.0014","27.578","0.002","90","","93.07","0.001","90","","7168.2","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Cl F6 P5 Pd3 Sb -","- C78 H65 Cl F6 P5 Pd3 Sb -","- C312 H260 Cl4 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.1005","0.0474","","","0.0914","0.1144","","","","","","0.97","","","","has coordinates","193398","2020-10-21","18:00:00",""
"4514024","24.283","0.005","21.152","0.004","17.759","0.004","90","","114.38","0.03","90","","8308","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H118 Ge2 N2 O Si2 -","- C94 H118 Ge2 N2 O Si2 -","- C376 H472 Ge8 N8 O4 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.7108","Synchrotron","","0.086","0.0695","","","0.196","0.2107","","","","","","1.054","","","","has coordinates,has disorder","193399","2020-10-21","18:00:00",""
"4514025","10.1191","0.0004","12.9066","0.0005","18.7646","0.0007","88.763","0.003","86.92","0.003","85.612","0.003","2439.63","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H69 B N O3.5 Si Sn -","- C52 H69 B N O3.5 Si Sn -","- C104 H138 B2 N2 O7 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0526","0.0414","","","0.1009","0.1086","","","","","","1.058","","","","has coordinates,has disorder","193399","2020-10-21","18:00:00",""
"4514026","9.99","0.002","11.36","0.002","18.89","0.004","86.59","0.03","85.63","0.03","67.69","0.03","1976.4","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H53 N O2 Si Sn -","- C45 H53 N O2 Si Sn -","- C90 H106 N2 O4 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.033","0.0311","","","0.0783","0.0791","","","","","","1.067","","","","has coordinates","193399","2020-10-21","18:00:00",""
"4514027","16.5344","0.0008","9.4279","0.0005","20.9981","0.0012","90","","90","","90","","3273.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","","Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu","Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)‒H Bonds with Azodiformates via Bidentate-Chelation Assistance","ACS Catalysis","2017","7","3","2042","","10.1021/acscatal.6b03621","","","1.54178","CuKα","","0.0563","0.0465","","","0.1339","0.1437","","","","","","0.982","","","","has coordinates","193397","2020-10-21","18:00:00",""
"4514028","23.6464","0.0007","24.1857","0.0006","24.249","0.0008","90","","116.899","0.002","90","","12367.7","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C450 H404 F96 N80 O38 P16 Ru16 -","8","1","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0928","0.0586","","","0.1374","0.1511","","","","","","0.989","","","","has coordinates,has disorder","193401","2020-10-21","18:00:00",""
"4514029","18.7376","0.0007","22.1944","0.0008","15.7519","0.0006","90","","90.788","0.003","90","","6550.1","0.4","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H60 F12 N10 O7 P2 Ru2 -","- C61 H60 F12 N10 O7 P2 Ru2 -","- C244 H240 F48 N40 O28 P8 Ru8 -","4","0.5","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0558","0.0419","","","0.1087","0.1143","","","","","","1.028","","","","has coordinates,has disorder","193401","2020-10-21","18:00:00",""
"4514030","11.2326","0.001","11.336","0.001","16.1197","0.0014","78.107","0.001","72.51","0.001","67.279","0.001","1796.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(dppf)Ni(SCF2)","","","- C42 H36 F2 Fe Ni P2 S -","- C42 H36 F2 Fe Ni P2 S -","- C84 H72 F4 Fe2 Ni2 P4 S2 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0422","0.0345","","","0.0812","0.0849","","","","","","1.028","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514031","8.9532","0.0002","10.0303","0.0003","20.4331","0.0011","91.917","0.003","99.127","0.004","94.971","0.002","1802.83","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Fe I2 Ni P2 -","- C40 H34 Fe I2 Ni P2 -","- C80 H68 Fe2 I4 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71073","MoKα","","0.0454","0.0415","","","0.0863","0.0878","","","","","","1.071","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514037","11.2473","0.0003","18.5148","0.0006","26.3786","0.0008","90","","97.2988","0.0013","90","","5448.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H45 Ag4 Cl5 O10 -","- C54.5 H45 Ag4 Cl5 O10 -","- C218 H180 Ag16 Cl20 O40 -","4","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.1489","0.1043","","","0.2712","0.2948","","","","","","1.015","","","","has coordinates,has disorder","193402","2020-10-21","18:00:00",""
"4514038","26.064","0.003","19.397","0.002","11.0996","0.0012","90","","97.166","0.002","90","","5567.7","1.1","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Ag2 O6 -","- C15 H12 Ag2 O6 -","- C120 H96 Ag16 O48 -","8","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.0769","0.0661","","","0.1864","0.1952","","","","","","1.116","","","","has coordinates","193402","2020-10-21","18:00:00",""
"4514039","12.3621","0.00005","45.6111","0.0002","12.6667","0.00005","90","","97.7659","0.0003","90","","7076.6","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 H30 F5 N2 P -","- C352 H240 F40 N16 P8 -","8","4","","Rokade, Balaji V.; Guiry, Patrick J.","Diastereofacial π-Stacking as an Approach To Access an Axially Chiral P,N-Ligand for Asymmetric Catalysis","ACS Catalysis","2017","","","2334","","10.1021/acscatal.6b03427","","","1.54184","CuKα","","0.0301","0.0288","","","0.0726","0.0737","","","","","","1.011","","","","has coordinates","192492","2020-10-21","18:00:00",""
"4514040","7.20833","0.00016","12.3392","0.0003","14.6278","0.0005","90","","93.647","0.002","90","","1298.44","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl6 N O5 V -","- C24 H18 Cl6 N O5 V -","- C48 H36 Cl12 N2 O10 V2 -","2","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.7107","MoKα","","0.0328","0.0269","","","0.0609","0.063","","","","","","0.947","","","","has coordinates","196107","2020-10-21","18:00:00",""
"4514041","7.1728","0.0012","13.0626","0.0015","28.541","0.004","90","","96.136","0.005","90","","2658.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl7 N O5 V -","- C24 H17 Cl7 N O5 V -","- C96 H68 Cl28 N4 O20 V4 -","4","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.71073","MoKα","","0.1184","0.0784","","","0.1772","0.1935","","","","","","1.089","","","","has coordinates,has disorder","196107","2020-10-21","18:00:00",""
"4514048","22.5768","0.0011","8.5784","0.0002","12.0175","0.0006","90","","121.047","0.006","90","","1994.04","0.19","105.1","","105.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Chen, Xiaohong; Yang, Shujing; Li, Helong; Wang, Bo; Song, Guoyong","Enantioselective C‒H Annulation of Indoles with Diazo Compounds through a Chiral Rh(III) Catalyst","ACS Catalysis","2017","","","2392","","10.1021/acscatal.7b00104","","","1.5418","CuKα","","0.0375","0.0366","","","0.0928","0.0939","","","","","","1.035","","","","has coordinates","192784","2020-10-21","18:00:00",""
"4514051","12.37","0.0004","45.6483","0.0014","12.6634","0.0004","90","","97.6938","0.0009","90","","7086.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 F5 N2 P -","- C88 F10 N4 P2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis","ACS Catalysis","2017","7","3","2133","","10.1021/acscatal.7b00133","","","0.71073","MoKα","","0.0551","0.0403","","","0.0835","0.0873","","","","","","0.959","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514052","15.3662","0.0017","16.9466","0.0019","27.676","0.003","90","","92.693","0.002","90","","7199","1.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C312 H260 Br2.76 Cl1.24 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.0839","0.0455","","","0.1137","0.1319","","","","","","0.996","","","","has coordinates,has disorder","192845","2020-10-21","18:00:00",""
"4514053","9.93","0.002","14.88","0.003","15.29","0.003","91","0.03","91.6","0.03","98.1","0.03","2235.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H64 B Ge N O3 Si -","- C50 H64 B Ge N O3 Si -","- C100 H128 B2 Ge2 N2 O6 Si2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0712","0.0671","","","0.1708","0.1733","","","","","","1.082","","","","has coordinates,has disorder","192846","2020-10-21","18:00:00",""
"4514054","31.052","0.002","19.593","0.002","17.8613","0.0016","90","","105.933","0.006","90","","10449.4","1.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C101 H134 Ge2 N2 O2 Si2 -","- C95 H120 Ge2 N2 O2 Si2 -","- C380 H480 Ge8 N8 O8 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.2303","0.0842","","","0.161","0.1989","","","","","","0.786","","","","has coordinates","192847","2020-10-21","18:00:00",""
"4514055","10.9061","0.0007","12.6404","0.0008","28.3159","0.0018","90","","90","","90","","3903.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N2 O5 S2 -","- C38 H36 N2 O5 S2 -","- C152 H144 N8 O20 S8 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0705","0.0499","","","0.1394","0.1485","","","","","","1.108","","","","has coordinates","192848","2020-10-21","18:00:00",""
"4514056","8.1166","0.0005","13.77","0.0008","15.4267","0.0009","90","","90","","90","","1724.17","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0498","0.0358","","","0.0875","0.0956","","","","","","1.069","","","","has coordinates","192849","2020-10-21","18:00:00",""
"4514057","30.3732","0.0014","11.6836","0.0006","7.6516","0.0004","90","","90","","90","","2715.3","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H44 Mn N O3 P2 -","- C25 H44 Mn N O3 P2 -","- C100 H176 Mn4 N4 O12 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0386","0.0299","","","0.0575","0.0602","","","","","","1.038","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514058","17.2037","0.0018","14.6522","0.0017","19.066","0.002","90","","90","","90","","4806","0.9","299.72","","299.72","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H41 B Mn N O2 P2 -","- C18 H41 B Mn N O2 P2 -","- C144 H328 B8 Mn8 N8 O16 P16 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0563","0.0357","","","0.0875","0.0988","","","","","","1.015","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514059","10.6335","0.0008","14.5777","0.0011","13.8441","0.001","90","","97.449","0.004","90","","2127.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Mn N O2 P2 -","- C18 H38 Mn N O2 P2 -","- C72 H152 Mn4 N4 O8 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0596","0.0352","","","0.0718","0.079","","","","","","1.019","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514060","9.6075","0.0011","10.9191","0.0013","17.624","0.002","96.565","0.002","105.405","0.002","103.759","0.002","1699.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(dppf)Ni(I)Br","","","- C40 H34 Br Fe Ni P2 -","- C40 H34 Br Fe Ni P2 -","- C80 H68 Br2 Fe2 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0541","0.0383","","","0.0812","0.0872","","","","","","1.009","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514061","23.6771","0.0005","13.9547","0.0003","19.1841","0.0004","90","","90.394","0.002","90","","6338.4","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Fe2 I2 Ni2 O P4 -","- C72 H64 Fe2 I2 Ni2 O P4 -","- C288 H256 Fe8 I8 Ni8 O4 P16 -","4","0.5","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71075","MoKα","","0.0609","0.0395","","","0.0735","0.0798","","","","","","1.017","","","","has coordinates,has disorder","194774","2020-10-21","18:00:00",""
"4514062","7.3719","0.0003","8.0356","0.0003","12.4786","0.0005","82.255","0.002","78.93","0.002","86.099","0.002","718.16","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Wu, Xiaowei; Wang, Bao; Zhou, Shengbin; Zhou, Yu; Liu, Hong","Ruthenium-Catalyzed Redox-Neutral [4 + 1] Annulation of Benzamides and Propargyl Alcohols via C‒H Bond Activation","ACS Catalysis","2017","7","4","2494","","10.1021/acscatal.7b00031","","","0.71073","MoKα","","0.0462","0.0416","","","0.1209","0.1264","","","","","","1.07","","","","has coordinates","196108","2020-10-21","18:00:00",""
"4514063","14.191","0.0005","14.4097","0.0005","18.8529","0.0006","90","","90.638","0.002","90","","3855","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hhy3-51","","","- C30 H64 Br2 P2 Pd2 -","- C30 H64 Br2 P2 Pd2 -","- C120 H256 Br8 P8 Pd8 -","4","1","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0453","0.0316","","","0.0727","0.0796","","","","","","1.032","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514064","9.5914","0.0003","12.2401","0.0003","13.6152","0.0004","114.515","0.001","94.093","0.001","92.143","0.001","1446.66","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 Br2 Cl4 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","1","0.5","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0363","0.025","","","0.0581","0.0623","","","","","","1.016","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514066","8.2446","0.0003","18.1585","0.0006","10.6143","0.0005","90","","99.541","0.004","90","","1567.08","0.11","150.03","0.1","150.03","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G.","Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation","ACS Catalysis","2017","","","2616","","10.1021/acscatal.7b00038","","x-ray","0.71073","MoKα","","0.06","0.0465","","","0.1012","0.1082","","","","","","1.045","","","","has coordinates","194297","2020-10-21","18:00:00",""
"4514067","7.2094","0.0003","12.0942","0.0005","13.0064","0.0006","106.921","0.004","90.76","0.004","95.278","0.003","1079.4","0.08","150.01","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N3 O4 -","- C24 H29 N3 O4 -","- C48 H58 N6 O8 -","2","1","","Leitch, Jamie A.; McMullin, Claire L.; Mahon, Mary F.; Bhonoah, Yunas; Frost, Christopher G.","Remote C6-Selective Ruthenium-Catalyzed C‒H Alkylation of Indole Derivatives via σ-Activation","ACS Catalysis","2017","","","2616","","10.1021/acscatal.7b00038","","","1.54184","CuKα","","0.0426","0.0383","","","0.0977","0.1011","","","","","","1.03","","","","has coordinates,has disorder","194297","2020-10-21","18:00:00",""
"4514068","8.1462","0.0003","9.4252","0.0004","13.2617","0.0006","104.796","0.004","102.654","0.004","103.208","0.004","915.85","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Li, Jun-Ming; Wang, Yong-Heng; Yu, Yang; Wu, Rui-Bo; Weng, Jiang; Lu, Gui","Copper-Catalyzed Remote C‒H Functionalizations of Naphthylamides through a Coordinating Activation Strategy and Single-Electron-Transfer (SET) Mechanism","ACS Catalysis","2017","","","2661","","10.1021/acscatal.6b03671","","x-ray","1.54184","CuKα","","0.0335","0.0323","","","0.0864","0.0874","","","","","","1.0605","","","","has coordinates","194327","2020-10-21","18:00:00",""
"4514069","11.406","0.0015","12.0431","0.0015","13.804","0.002","89.519","0.006","88.399","0.006","75.619","0.006","1836","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H40 N2 O4 -","- C49 H40 N2 O4 -","- C98 H80 N4 O8 -","2","1","","Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi","Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00265","","","0.71075","MoKα","","0.0458","0.0376","","","0.1044","0.1072","","","","","","1.079","","","","has coordinates","194428","2020-10-21","18:00:00",""
"4514070","15.083","0.002","14.7314","0.0019","26.284","0.004","90","","90","","90","","5840.1","1.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H29 F3 N O -","- C38 H29 F3 N O -","- C304 H232 F24 N8 O8 -","8","1","","Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi","Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00265","","","0.71075","MoKα","","0.0618","0.0489","","","0.1163","0.1188","","","","","","0.913","","","","has coordinates","194429","2020-10-21","18:00:00",""
"4514071","9.5611","0.0008","9.7674","0.0007","44.019","0.003","90","","90","","90","","4110.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O2 -","- C25 H19 Br N2 O2 -","- C200 H152 Br8 N16 O16 -","8","2","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0775","0.0567","","","0.1386","0.151","","","","","","1.033","","","","has coordinates","196109","2020-10-21","18:00:00",""
"4514072","6.2831","0.0005","10.506","0.0007","28.682","0.002","90","","90","","90","","1893.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0658","0.049","","","0.1051","0.1107","","","","","","1.105","","","","has coordinates","196109","2020-10-21","18:00:00",""
"4514073","17.1283","0.0011","9.2992","0.0004","18.9173","0.0005","90","","90","","90","","3013.1","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H27 N5 O2 -","- C38 H27 N5 O2 -","- C152 H108 N20 O8 -","4","0.5","","Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping","Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00262","","x-ray","1.54184","CuKα","","0.0494","0.04","","","0.1056","0.1147","","","","","","1.037","","","","has coordinates","194482","2020-10-21","18:00:00",""
"4514074","12.2327","0.0004","13.1901","0.0004","24.1763","0.0008","90","","103.838","0.003","90","","3787.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Cl2 Co N6 O2 -","- C45 H33 Cl2 Co N6 O2 -","- C180 H132 Cl8 Co4 N24 O8 -","4","1","","Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping","Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines","ACS Catalysis","2017","","","","","10.1021/acscatal.7b00262","","x-ray","0.71073","MoKα","","0.0794","0.0592","","","0.1543","0.171","","","","","","1.037","","","","has coordinates,has disorder","194482","2020-10-21","18:00:00",""
"4514080","12.47076","0.00008","21.63215","0.00013","13.10657","0.00008","90","","99.47","0.0006","90","","3487.57","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N2 O2 Pd -","- C38 H52 N2 O2 Pd -","- C152 H208 N8 O8 Pd4 -","4","1","","Kim, Jaewoon; Hong, Soon Hyeok","Ligand-Promoted Direct C‒H Arylation of Simple Arenes: Evidence for a Cooperative Bimetallic Mechanism","ACS Catalysis","2017","7","5","3336","","10.1021/acscatal.7b00397","","x-ray","1.54184","CuKα","","0.0259","0.0247","","","0.0608","0.0616","","","","","","1.03","","","","has coordinates","197385","2020-10-21","18:00:00",""
"4514083","6.3295","0.001","12.336","0.002","14.619","0.002","90.792","0.01","95.813","0.009","96.114","0.01","1128.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C56 H58 N2 O6 -","2","1","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.1209","0.0746","","","0.188","0.219","","","","","","1.031","","","","has coordinates","197387","2020-10-21","18:00:00",""
"4514084","9.7185","0.0003","15.9184","0.0004","15.9702","0.0004","88.541","0.001","87.598","0.001","85.097","0.001","2458.84","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O4 -","- C33 H25 N O4 -","- C132 H100 N4 O16 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0525","0.0484","","","0.1216","0.1245","","","","","","1.106","","","","has coordinates","197387","2020-10-21","18:00:00",""
"4514085","10.0098","0.0005","19.235","0.001","13.3175","0.0007","90","","91.572","0.002","90","","2563.2","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 F2 N O5 -","- C34 H23 F2 N O5 -","- C136 H92 F8 N4 O20 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0465","0.0462","","","0.1216","0.1219","","","","","","1.08","","","","has coordinates","197387","2020-10-21","18:00:00",""
"4514089","19.206","0.0009","15.8073","0.0007","19.2815","0.0009","90","","90","","90","","5853.8","0.5","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 Co N4 -","- C38 H34 Co N4 -","- C304 H272 Co8 N32 -","8","1","","Maher, Andrew G.; Passard, Guillaume; Dogutan, Dilek K.; Halbach, Robert L.; Anderson, Bryce L.; Gagliardi, Christopher J.; Taniguchi, Masahiko; Lindsey, Jonathan S.; Nocera, Daniel G.","Hydrogen Evolution Catalysis by a Sparsely Substituted Cobalt Chlorin","ACS Catalysis","2017","","","3597","","10.1021/acscatal.7b00969","","","0.71073","MoKα","","0.0649","0.0386","","","0.09","0.102","","","","","","1.023","","","","has coordinates","195654","2020-10-21","18:00:00",""
"4514090","4.88608","0.00008","39.9585","0.0006","9.27521","0.00015","90","","91.1105","0.0015","90","","1810.56","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.1348","0.091","","","0.2494","0.2737","","","","","","1.048","","","","has coordinates,has disorder","197386","2020-10-21","18:00:00",""
"4514091","9.8574","0.0004","10.5363","0.0004","19.098","0.0006","83.974","0.003","85.964","0.003","69.875","0.004","1850.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","2","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.0795","0.0491","","","0.1309","0.1458","","","","","","1.052","","","","has coordinates,has disorder","197386","2020-10-21","18:00:00",""
"4514094","13.0174","0.0015","14.9485","0.0017","17.504","0.002","102.352","0.002","98.18","0.003","99.337","0.003","3227.4","0.6","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","jonjy02","(Cy-PNP)Co(CO)2","","- C62 H65 B Co F24 N O2 P2 -","- C62 H65 B Co F24 N O2 P2 -","- C124 H130 B2 Co2 F48 N2 O4 P4 -","2","1","","Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D.","Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols","ACS Catalysis","2017","","","3735","","10.1021/acscatal.7b00623","","","0.71073","MoKα","","0.101","0.0522","","","0.1101","0.1311","","","","","","0.995","","","","has coordinates","195806","2020-10-21","18:00:00",""
"4514095","14.722","0.002","16.791","0.003","17.269","0.003","99.053","0.003","113.62","0.003","101.693","0.003","3692.2","1.1","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","jonjy03","(CyPNP)Co(O2CPh)2","","- C74 H75 B Co F24 N O4 P2 -","- C74 H75 B Co F24 N O4 P2 -","- C148 H150 B2 Co2 F48 N2 O8 P4 -","2","1","","Yuwen, Jing; Chakraborty, Sumit; Brennessel, William W.; Jones, William D.","Additive-Free Cobalt-Catalyzed Hydrogenation of Esters to Alcohols","ACS Catalysis","2017","","","3735","","10.1021/acscatal.7b00623","","","0.71073","MoKα","","0.1005","0.0528","","","0.1056","0.1241","","","","","","1.016","","","","has coordinates,has disorder","195806","2020-10-21","18:00:00",""
"4514096","5.9658","0.0002","6.8587","0.0003","26.877","0.001","90","","90","","90","","1099.74","0.07","293.52","0.1","293.52","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming","Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes","ACS Catalysis","2017","7","6","3763","","10.1021/acscatal.7b00590","","x-ray","1.54184","CuKα","","0.0529","0.0509","","","0.1384","0.1424","","","","","","1.072","","","","has coordinates","197390","2020-10-21","18:00:00",""
"4514100","13.578","0.008","13.579","0.01","13.733","0.011","91.45","0.02","100.63","0.02","115.95","0.019","2222","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","1","0.5","","Fan, Ting; Duan, Lele; Huang, Ping; Chen, Hong; Daniel, Quentin; Ahlquist, Mårten S. G.; Sun, Licheng","The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway","ACS Catalysis","2017","7","4","2956","","10.1021/acscatal.6b03393","","","0.71073","MoKα","","0.1651","0.1007","","","0.2554","0.2951","","","","","","1.125","","","","has coordinates","195915","2020-10-21","18:00:00",""
"4514101","8.2698","0.0007","10.9458","0.0009","14.8705","0.0015","98.19","0.006","90.641","0.003","110.333","0.003","1246.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H39 Cl2 Co N P2 -","- C21 H39 Cl2 Co N P2 -","- C42 H78 Cl4 Co2 N2 P4 -","2","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0442","0.0317","","","0.0651","0.07","","","","","","1.034","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514102","14.2619","0.0007","8.3444","0.0004","19.9331","0.0011","90","","96.477","0.003","90","","2357","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cl Co N P2 -","- C21 H39 Cl Co N P2 -","- C84 H156 Cl4 Co4 N4 P8 -","4","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0415","0.029","","","0.0624","0.0676","","","","","","1.023","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514103","18.5484","0.0009","15.0463","0.0007","16.1704","0.0008","90","","90","","90","","4512.9","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H40 Cl N3 O P2 Ru -","- C50 H40 Cl N3 O P2 Ru -","- C200 H160 Cl4 N12 O4 P8 Ru4 -","4","0.5","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0347","0.0317","","","0.0799","0.0814","","","","","","1.109","","","","has coordinates","195917","2020-10-21","18:00:00",""
"4514104","14.2935","0.0009","18.4185","0.0011","22.7313","0.0013","90","","108.44","0.004","90","","5677.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Cl5 N4 O P2 Ru -","- C54 H47 Cl5 N4 O P2 Ru -","- C216 H188 Cl20 N16 O4 P8 Ru4 -","4","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0965","0.0814","","","0.203","0.2122","","","","","","1.057","","","","has coordinates","195918","2020-10-21","18:00:00",""
"4514105","11.8324","0.0013","14.2246","0.0016","18.611","0.002","86.239","0.002","84.443","0.002","71.637","0.002","2956.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C118 H98 Cl10 N8 O4 P4 Ru4 -","2","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0636","0.0512","","","0.1173","0.1228","","","","","","1.047","","","","has coordinates","195919","2020-10-21","18:00:00",""
"4514106","8.4166","0.0003","11.03","0.0004","16.025","0.0006","84.085","0.002","76.9","0.002","69.246","0.002","1354.52","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 F3 N5 O6 Ru S -","- C29 H20 F3 N5 O6 Ru S -","- C58 H40 F6 N10 O12 Ru2 S2 -","2","1","","Kagalwala, Husain N.; Tong, Lianpeng; Zong, Ruifa; Kohler, Lars; Ahlquist, Mårten S. G.; Fan, Ting; Gagnon, Kevin J.; Thummel, Randolph P.","Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation","ACS Catalysis","2017","7","4","2607","","10.1021/acscatal.6b03278","","","0.7749","synchrotron","","0.0472","0.0342","","","0.07","0.0746","","","","","","1.046","","","","has coordinates","195920","2020-10-21","18:00:00",""
"4514107","8.8677","0.0002","10.0871","0.0002","14.1044","0.0002","90","","90","","90","","1261.63","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis","ACS Catalysis","2017","7","4","2981","","10.1021/acscatal.7b00562","","","1.54178","CuKα","","0.0235","0.0234","","","0.0576","0.0577","","","","","","1.005","","","","has coordinates","195921","2020-10-21","18:00:00",""
"4514108","17.7576","0.001","12.9229","0.0007","12.7518","0.0007","90","","90","","90","","2926.3","0.3","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","(6,6'-dihydroxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H8 Br Mn N2 O5 -","- C13 H8 Br Mn N2 O5 -","- C104 H64 Br8 Mn8 N16 O40 -","8","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0535","0.0356","","","0.08","0.0852","","","","","","1.017","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514109","8.1795","0.0005","16.3907","0.0011","11.9305","0.0006","90","","90.478","0.005","90","","1599.44","0.17","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-dimethoxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C15 H12 Br Mn N2 O5 -","- C15 H12 Br Mn N2 O5 -","- C60 H48 Br4 Mn4 N8 O20 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0382","0.031","","","0.0727","0.0753","","","","","","1.033","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514110","7.5829","0.0002","9.6475","0.0003","20.0238","0.0005","90","","93.812","0.003","90","","1461.62","0.07","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-diamino-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H10 Br Mn N4 O3 -","- C13 H10 Br Mn N4 O3 -","- C52 H40 Br4 Mn4 N16 O12 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0291","0.0241","","","0.0571","0.0585","","","","","","1.044","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514111","8.9121","0.00019","12.7125","0.0003","17.6682","0.0004","84.4838","0.0018","86.3815","0.0018","83.4002","0.0017","1976.5","0.08","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(6,6'-dihydroxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C16 H11 F3 Mn N3 O8 S -","- C16 H11 F3 Mn N3 O8 S -","- C64 H44 F12 Mn4 N12 O32 S4 -","4","2","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0332","0.0286","","","0.0717","0.0738","","","","","","1.061","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514112","8.19264","0.00016","11.4621","0.0003","23.0399","0.0005","90","","92.2861","0.0019","90","","2161.84","0.08","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(6,6'-dimethoxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C18 H15 F3 Mn N3 O8 S -","- C18 H15 F3 Mn N3 O8 S -","- C72 H60 F12 Mn4 N12 O32 S4 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0277","0.0253","","","0.0667","0.0678","","","","","","1.052","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514115","9.04501","0.00007","9.77593","0.00009","25.19795","0.00017","90","","92.5278","0.0007","90","","2225.92","0.03","175","","175","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H61 N O10 S Si -","- C44 H61 N O10 S Si -","- C88 H122 N2 O20 S2 Si2 -","2","1","","Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives","ACS Catalysis","2017","7","6","3934","","10.1021/acscatal.7b00787","","x-ray","1.54184","CuKα","","0.0547","0.0532","","","0.1373","0.1394","","","","","","1.032","","","","has coordinates","197391","2020-10-21","18:00:00",""
"4514116","9.975","0.0002","8.9417","0.0002","12.2426","0.0003","90","","101.043","0.001","90","","1071.74","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N O5 -","- C24 H24 Cl N O5 -","- C48 H48 Cl2 N2 O10 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh; Biju, Akkattu T.","N-Heterocyclic Carbene-Catalyzed Aldol-Lactonization of Ketoacids via Dynamic Kinetic Resolution","ACS Catalysis","2017","","","3995","","10.1021/acscatal.7b00681","","","1.54178","CuKα","","0.0224","0.0223","","","0.0572","0.0573","","","","","","1.036","","","","has coordinates","196626","2020-10-21","18:00:00",""
"4514117","13.226","0.003","6.2835","0.0015","13.615","0.003","90","","92.018","0.007","90","","1130.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Lin, Tao-Yan; Wu, Hai-Hong; Feng, Jian-Jun; Zhang, Junliang","Design and Enantioselective Synthesis of β-Vinyl Tryptamine Building Blocks for Construction of Privileged Chiral Indole Scaffolds","ACS Catalysis","2017","","","4047","","10.1021/acscatal.7b00870","","","0.71073","MoKα","","0.0453","0.0384","","","0.1038","0.1065","","","","","","1.067","","","","has coordinates","196675","2020-10-21","18:00:00",""
"4514118","9.5931","0.0001","12.8055","0.0002","15.6673","0.0002","90","","102.15","0.001","90","","1881.53","0.04","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N O2 S -","- C20 H24 Cl N O2 S -","- C80 H96 Cl4 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0413","0.0333","","","0.1001","0.1042","","","","","","1.036","","","","has coordinates","197389","2020-10-21","18:00:00",""
"4514119","16.4786","0.0007","7.779","0.0004","28.3488","0.0015","90","","90","","90","","3633.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C152 H176 N16 O32 S8 -","8","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.71073","MoKα","","0.0673","0.0415","","","0.0881","0.0992","","","","","","1.018","","","","has coordinates","197389","2020-10-21","18:00:00",""
"4514120","13.316","0.002","20.47","0.003","6.2779","0.001","90","","101.369","0.004","90","","1677.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 -","- C25 H18 -","- C100 H72 -","4","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0747","0.049","","","0.1205","0.1342","","","","","","1.021","","","","has coordinates","200650","2020-10-21","18:00:00",""
"4514121","9.3854","0.0018","9.6615","0.0018","11.064","0.002","87.814","0.004","68.304","0.004","85.999","0.004","929.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 Cl O -","- C24 H17 Cl O -","- C48 H34 Cl2 O2 -","2","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0764","0.0534","","","0.1439","0.1602","","","","","","1.055","","","","has coordinates","200650","2020-10-21","18:00:00",""
"4514122","4.9712","0.0009","11.992","0.002","27.578","0.005","79.676","0.006","84.855","0.004","78.156","0.004","1580.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 S -","- C22 H16 S -","- C88 H64 S4 -","4","2","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.1566","0.0987","","","0.238","0.2768","","","","","","1.052","","","","has coordinates,has disorder","200650","2020-10-21","18:00:00",""
"4514123","9.0052","0.0004","10.3193","0.0005","13.9951","0.0006","90.135","0.002","92.418","0.002","94.402","0.002","1295.52","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2b","","","- C25 H26 F2 N2 Pt S -","- C25 H26 F2 N2 Pt S -","- C50 H52 F4 N4 Pt2 S2 -","2","1","","Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don","Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects","ACS Catalysis","2017","","","4313","","10.1021/acscatal.7b01560","","","0.71073","MoKα","","0.0178","0.0172","","","0.0421","0.0424","","","","","","1.05","","","","has coordinates","196998","2020-10-21","18:00:00",""
"4514124","8.9213","0.0005","10.1362","0.0005","14.7554","0.0008","97.236","0.003","90.819","0.003","94.146","0.003","1319.84","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2c","","","- C25 H24 F4 N2 Pt S -","- C25 H24 F4 N2 Pt S -","- C50 H48 F8 N4 Pt2 S2 -","2","1","","Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don","Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects","ACS Catalysis","2017","","","4313","","10.1021/acscatal.7b01560","","","0.71073","MoKα","","0.0142","0.0131","","","0.0291","0.0293","","","","","","1.047","","","","has coordinates","196999","2020-10-21","18:00:00",""
"4514136","8.539","0.0002","15.0653","0.0004","32.9272","0.0009","90","","90","","90","","4235.84","0.19","270","2","270","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl N3 O P Ru -","- C19 H27 Cl N3 O P Ru -","- C152 H216 Cl8 N24 O8 P8 Ru8 -","8","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","1.54178","CuKα","","0.0534","0.052","","","0.1367","0.1373","","","","","","1.022","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514137","8.4904","0.0001","16.3262","0.0003","17.4261","0.0003","90","","97.79","0.001","90","","2393.24","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl N3 O2 P Ru -","- C22 H31 Cl N3 O2 P Ru -","- C88 H124 Cl4 N12 O8 P4 Ru4 -","4","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","0.71073","MoKα","","0.0335","0.0268","","","0.0671","0.0695","","","","","","1.059","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514138","11.3349","0.0006","12.8075","0.0005","13.5019","0.0006","76.483","0.002","84.58","0.002","83.915","0.002","1890.13","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Br2 N2 O2 -","- C46 H40 Br2 N2 O2 -","- C92 H80 Br4 N4 O4 -","2","1","","Liu, Yi; Tse, Ying-Lung Steve; Kwong, Fuk Yee; Yeung, Ying-Yeung","Accessing Axially Chiral Biaryls via Organocatalytic Enantioselective Dynamic-Kinetic Resolution-Semipinacol Rearrangement","ACS Catalysis","2017","","","4435","","10.1021/acscatal.7b01056","","","0.71073","MoKα","","0.0801","0.052","","","0.1198","0.1339","","","","","","1.031","","","","has coordinates,has disorder","197206","2020-10-21","18:00:00",""
"4514139","14.93","0.002","11.5659","0.0017","15.258","0.0019","90","","101.808","0.004","90","","2579","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","2","","Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain","Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives","ACS Catalysis","2017","7","5","3410","","10.1021/acscatal.7b00511","","","1.54178","CuKα","","0.055","0.0514","","","0.1412","0.145","","","","","","1.047","","","","has coordinates","197208","2020-10-21","18:00:00",""
"4514140","8.8643","0.0008","17.5771","0.0008","22.5359","0.0008","90","","90","","90","","3511.3","0.4","106.3","","106.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 F6 N2 O4 -","- C42 H30 F6 N2 O4 -","- C168 H120 F24 N8 O16 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","1.5418","CuKα","","0.0383","0.0363","","","0.0889","0.0906","","","","","","1.016","","","","has coordinates","197209","2020-10-21","18:00:00",""
"4514141","9.035","0.002","5.7594","0.0015","13.277","0.003","90","","100.891","0.007","90","","678.4","0.3","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.71073","MoKα","","0.0544","0.042","","","0.0989","0.1056","","","","","","1.05","","","","has coordinates","197210","2020-10-21","18:00:00",""
"4514142","11.6983","0.0003","13.0767","0.0003","13.6557","0.0005","90","","114.637","0.004","90","","1898.82","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0416","0.0369","","","0.0975","0.1006","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4514143","10.2375","0.0002","9.4009","0.0002","16.6135","0.0004","90","","98.412","0.002","90","","1581.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3‒H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0519","0.036","","","0.0916","0.093","","","","","","0.963","","","","has coordinates","197212","2020-10-21","18:00:00",""
"4514151","16.7238","0.0018","16.7238","0.0018","23.136","0.003","90","","90","","90","","6470.8","1.3","93","","93","","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C13 H22 F3 Ir N2 O2 S -","- C13 H21 F3 Ir N2 O2 S -","- C208 H336 F48 Ir16 N32 O32 S16 -","16","1","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0234","","","","0.0574","","","","","","1","","","","has coordinates","197576","2020-10-21","18:00:00",""
"4514152","20.7776","","14.3517","","18.813","","90","","111.073","","90","","5234.75","","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H28 F3 Ir N2 O2 S -","- C25 H28 F3 Ir N2 O2 S -","- C200 H224 F24 Ir8 N16 O16 S8 -","8","2","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0359","","","","0.0935","","","","","","1","","","","has coordinates","197577","2020-10-21","18:00:00",""
"4514153","11.168","0.003","11.884","0.003","16.488","0.004","90","","104.162","0.003","90","","2121.8","0.9","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl3 F3 Ir N2 O2 S -","- C14 H23 Cl3 F3 Ir N2 O2 S -","- C56 H92 Cl12 F12 Ir4 N8 O8 S4 -","4","1","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0381","","","","0.1014","","","","","","1","","","","has coordinates","197578","2020-10-21","18:00:00",""
"4514154","7.8153","0.0007","11.0933","0.001","11.0932","0.0012","78.955","0.007","85.104","0.007","77.783","0.006","921.55","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 F5 N3 O7 V -","- C16 H11 F5 N3 O7 V -","- C32 H22 F10 N6 O14 V2 -","2","1","","Gazi, Sarifuddin; Đokić, Miloš; Moeljadi, Adhitya Mangala Putra; Ganguly, Rakesh; Hirao, Hajime; Soo, Han Sen","Kinetics and DFT Studies of Photoredox Carbon‒Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions","ACS Catalysis","2017","7","7","4682","","10.1021/acscatal.7b01036","","","0.71073","MoKα","","0.1149","0.0548","","","0.0998","0.1218","","","","","","0.981","","","","has coordinates","199567","2020-10-21","18:00:00",""
"4514155","13.4096","0.0004","5.2499","0.0002","16.501","0.0006","90","","106.995","0.002","90","","1110.93","0.07","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 Br2 F N O -","- C25 H22 Br2 F N O -","- C50 H44 Br4 F2 N2 O2 -","2","1","","Arimitsu, Satoru; Yonamine, Tsunaki; Higashi, Masahiro","Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals","ACS Catalysis","2017","","","4736","","10.1021/acscatal.7b01178","","","1.54187","CuKα","","0.11","0.0698","","","0.1417","0.1749","","","","","","1.141","","","","has coordinates,has disorder","197941","2020-10-21","18:00:00",""
"4514158","7.1346","0.0003","14.8376","0.0006","15.0064","0.0006","90","","98.492","0.002","90","","1571.17","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 Cl3 O4 -","- C14 H13 Cl3 O4 -","- C56 H52 Cl12 O16 -","4","2","","Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric","Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex","ACS Catalysis","2017","7","8","5151","","10.1021/acscatal.7b01296","","","0.71073","MoKα","","0.0292","0.0249","","","0.0525","0.0539","","","","","","1.036","","","","has coordinates","200649","2020-10-21","18:00:00",""
"4514159","8.809","0.003","15.299","0.005","16.461","0.005","90","","93.573","0.006","90","","2214.1","1.2","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Si2 -","- C22 H38 Si2 -","- C88 H152 Si8 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0396","0.0318","","","0.0929","0.0988","","","","","","1.028","","","","has coordinates","200647","2020-10-21","18:00:00",""
"4514160","14.3075","0.0014","24.95","0.002","17.0373","0.0016","90","","98.009","0.006","90","","6022.5","1","100","2","100.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H100 O2 Sc2 Si6 -","- C48 H100 O2 Sc2 Si6 -","- C192 H400 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0988","0.0586","","","0.1292","0.1513","","","","","","1.079","","","","has coordinates,has disorder","200647","2020-10-21","18:00:00",""
"4514161","21.2602","0.0005","21.2602","0.0005","10.1814","0.0003","90","","90","","120","","3985.41","0.18","110.05","0.1","110.05","0.1","","","","","","","","4","R 3","R 3","146","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C180 H180 N18 O27 -","9","","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","0.71073","MoKα","","0.0404","0.0363","","","0.0863","0.09","","","","","","1.048","","","","has coordinates","198646","2020-10-21","18:00:00",""
"4514162","8.7152","0.0003","13.5902","0.0004","8.7625","0.0003","90","","100.507","0.003","90","","1020.44","0.06","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","1.54184","CuKα","","0.0359","0.0342","","","0.0893","0.0912","","","","","","1.033","","","","has coordinates","198646","2020-10-21","18:00:00",""
"4514163","20.7806","0.0002","20.7806","0.0002","11.18107","0.00013","90","","90","","120","","4181.48","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","R 3","R 3","146","","","","- C20 H19 Cl N2 O3 -","- C20 H19 Cl N2 O3 -","- C180 H171 Cl9 N18 O27 -","9","","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","1.54184","CuKα","","0.0219","0.0217","","","0.055","0.0552","","","","","","1.052","","","","has coordinates","198646","2020-10-21","18:00:00",""
"4514164","22.1203","0.0005","7.6123","0.0001","16.3803","0.0004","90","","127.077","0.004","90","","2200.58","0.14","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C55 H44 Cl2 N2 O4 -","- C55 H44 Cl2 N2 O4 -","- C110 H88 Cl4 N4 O8 -","2","0.5","","He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua","Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization","ACS Catalysis","2017","7","8","5316","","10.1021/acscatal.7b01855","","","1.54184","CuKα","","0.0371","0.0365","","","0.1008","0.1017","","","","","","1.056","","","","has coordinates","200646","2020-10-21","18:00:00",""
"4514165","6.2288","0.0012","12.593","0.003","30.216","0.005","90","","90","","90","","2370.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CS1JMG-P3B - 17SRA001","","","- C29 H31 B O2 -","- C29 H31 B O2 -","- C116 H124 B4 O8 -","4","1","","Mateos, Jaime; Rivera-Chao, Eva; Fañanás-Mastral, Martín","Synergistic Copper/Palladium Catalysis for the Regio- and Stereoselective Synthesis of Borylated Skipped Dienes","ACS Catalysis","2017","","","5340","","10.1021/acscatal.7b01833","","","0.71073","MoKα","","0.1868","0.0717","","","0.1148","0.1539","","","","","","0.991","","","","has coordinates","198759","2020-10-21","18:00:00",""
"4514166","12.8527","0.0008","12.8527","0.0008","10.7921","0.0007","90","","90","","90","","1782.77","0.19","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0337","0.0315","","","0.0862","0.0876","","","","","","1.115","","","","has coordinates","200648","2020-10-21","18:00:00",""
"4514167","6.5169","0.001","11.8049","0.0018","9.5214","0.0015","90","","105.261","0.005","90","","706.66","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0479","0.0386","","","0.0965","0.1005","","","","","","1.113","","","","has coordinates","200648","2020-10-21","18:00:00",""
"4514168","8.3814","0.0004","7.0296","0.0003","12.3499","0.0005","90","","96.2862","0.0012","90","","723.26","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0425","0.0381","","","0.0999","0.1034","","","","","","1.103","","","","has coordinates","200648","2020-10-21","18:00:00",""
"4514169","8.9232","0.0014","17.371","0.003","23.537","0.004","90","","90","","90","","3648.4","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 Cl F6 N2 O3 -","- C42 H29 Cl F6 N2 O3 -","- C168 H116 Cl4 F24 N8 O12 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","0.71073","MoKα","","0.0556","0.0484","","","0.0952","0.099","","","","","","1.065","","","","has coordinates,has disorder","199566","2020-10-21","18:00:00",""
"4514170","17.0978","0.0005","15.1411","0.0005","22.9374","0.0007","90","","90","","90","","5938","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cl Co N4 O4 -","- C34 H30 Cl Co N4 O4 -","- C272 H240 Cl8 Co8 N32 O32 -","8","1","","Somekh, Miriam; Cohen, Hagai; Diskin-Posner, Yael; Shimon, Linda J. W.; Carmieli, Raanan; Rosenberg, Jeffrey N.; Neumann, Ronny","Formation of Alkanes by Aerobic Carbon‒Carbon Bond Coupling Reactions Catalyzed by a Phosphovanadomolybdic Acid","ACS Catalysis","2017","","","2725","","10.1021/acscatal.7b00461","","","0.71073","MoKα","","0.039","0.0294","","","0.073","0.0801","","","","","","1.032","","","","has coordinates","198935","2020-10-21","18:00:00",""
"4514172","8.4622","0.0007","9.685","0.0008","22.9564","0.0019","90","","90","","90","","1881.4","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C88 H96 O16 -","4","1","","Chong, Qinglei; Yue, Zhenting; Zhang, Shuoqing; Ji, Chonglei; Cheng, Fengchang; Zhang, Haiyan; Hong, Xin; Meng, Fanke","N-heterocyclic Carbene‒Cu-Catalyzed Enantioselective Conjugate Additions with Alkenylboronic Esters as Nucleophiles","ACS Catalysis","2017","","","5693","","10.1021/acscatal.7b02132","","","0.71073","MoKα","","0.0476","0.039","","","0.094","0.0992","","","","","","1.015","","","","has coordinates","199502","2020-10-21","18:00:00",""
"4514173","16.2948","0.0006","17.0253","0.0007","20.361","0.0008","90","","103.07","0.001","90","","5502.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H71 O10.5 Rh2 -","- C55.5 H71 O10.5 Rh2 -","- C222 H284 O42 Rh8 -","4","1","","Chen, Po-An; Setthakarn, Krit; May, Jeremy A.","A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate Ligand with α-Quaternary Carbon Centers","ACS Catalysis","2017","7","9","6155","","10.1021/acscatal.7b01388","","","1.54178","CuKα","","0.0271","0.0259","","","0.0648","0.0655","","","","","","1.061","","","","has coordinates,has disorder","200147","2020-10-21","18:00:00",""
"4514183","18.2889","0.0006","18.1841","0.0007","18.6875","0.0006","90","","111.842","0.003","90","","5768.7","0.4","99.93","","99.93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H96 O2 Sc2 Si6 -","- C46 H96 O2 Sc2 Si6 -","- C184 H384 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","1.54178","CuKα","","0.1182","0.082","","","0.2147","0.2436","","","","","","1.024","","","","has coordinates","200222","2020-10-21","18:00:00",""
"4514184","29.449","0.003","4.6494","0.0005","29.503","0.003","90","","103.649","0.003","90","","3925.5","0.7","100","2","99.98","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Au Cl0.25 F6 N O4 -","- C19 H12 Au Cl0.25 F6 N O4 -","- C152 H96 Au8 Cl2 F48 N8 O32 -","8","2","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor","trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway","ACS Catalysis","2017","7","8","5023","","10.1021/acscatal.7b01364","","x-ray","0.71073","MoKα","","0.0529","0.0525","","","0.117","0.1172","","","","","","1.268","","","","has coordinates","200223","2020-10-21","18:00:00",""
"4514185","9.8901","0.0018","10.4204","0.0019","12.056","0.002","68.572","0.002","85.149","0.002","69.897","0.002","1084.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 O P -","- C25 H21 O P -","- C50 H42 O2 P2 -","2","1","","Toda, Yasunori; Sakamoto, Tomoyuki; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","A Phosphonium Ylide as an Ionic Nucleophilic Catalyst for Primary Hydroxyl Group Selective Acylation of Diols","ACS Catalysis","2017","7","9","6150","","10.1021/acscatal.7b02281","","","0.71073","","","0.0454","0.0402","","","0.1289","0.133","","","","","","1.369","","","","has coordinates","200224","2020-10-21","18:00:00",""
"4514187","15.4176","0.0016","11.3505","0.0012","20.247","0.002","90","","90","","90","","3543.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Li, Yang; Hu, Ming; Li, Jin-Heng","Silver-Catalyzed Intermolecular [3 + 2]/[5 + 2] Annulation of N-Arylpropiolamides with Vinyl Acids: Facile Synthesis of Fused 2H-Benzo[b]azepin-2-ones","ACS Catalysis","2017","7","10","6757","","10.1021/acscatal.7b02061","","","0.71073","MoKα","","0.0713","0.0421","","","0.0979","0.1124","","","","","","1.024","","","","has coordinates","202645","2020-10-21","18:00:00",""
"4514188","6.3768","0.0006","10.567","0.0009","11.5596","0.001","108.484","0.003","92.159","0.003","106.084","0.003","703.06","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","1.54178","CuKα","","0.0396","0.0379","","","0.1029","0.1053","","","","","","1.032","","","","has coordinates","200418","2020-10-21","18:00:00",""
"4514189","10.3381","0.0003","12.1298","0.0003","12.7543","0.0003","98.7084","0.0007","97.6979","0.0007","101.969","0.0007","1523.79","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","2","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","0.71073","MoKα","","0.0485","0.0397","","","0.0988","0.1065","","","","","","1.031","","","","has coordinates","200419","2020-10-21","18:00:00",""
"4514190","13.5317","0.0006","16.7932","0.0007","14.6934","0.0006","90","","95.148","0.002","90","","3325.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 Cl N O P4 W -","- C27 H52 Cl N O P4 W -","- C108 H208 Cl4 N4 O4 P16 W4 -","4","1","","Rudshteyn, Benjamin; Vibbert, Hunter B.; May, Richard; Wasserman, Eric; Warnke, Ingolf; Hopkins, Michael D.; Batista, Victor S.","Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten‒Alkylidyne Complexes","ACS Catalysis","2017","7","9","6134","","10.1021/acscatal.7b01636","","","0.71073","MoKα","","0.0395","0.0209","","","0.0338","0.037","","","","","","1.076","","","","has coordinates,has disorder","200420","2020-10-21","18:00:00",""
"4514193","16.9652","0.0006","19.7318","0.0008","24.8974","0.0011","90","","90","","90","","8334.5","0.6","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.21 H40.41 Cl2.41 Cu I N6 -","- C37.2095 H40.419 Cl2.419 Cu I N6 -","- C297.676 H323.352 Cl19.352 Cu8 I8 N48 -","8","2","","Wan, Kai Y.; Sung, Molly M. H.; Lough, Alan J.; Morris, Robert H.","Half-Sandwich Ruthenium Catalyst Bearing an Enantiopure Primary Amine Tethered to an N-Heterocyclic Carbene for Ketone Hydrogenation","ACS Catalysis","2017","7","10","6827","","10.1021/acscatal.7b02346","","","1.54178","CuKα","","0.0677","0.0528","","","0.1367","0.1484","","","","","","1.036","","","","has coordinates","202642","2020-10-21","18:00:00",""
"4514194","12.3832","0.0005","17.1052","0.0006","17.3844","0.0007","90","","106.111","0.002","90","","3537.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Cl Ni P2 -","- C36 H35 Cl Ni P2 -","- C144 H140 Cl4 Ni4 P8 -","4","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0364","0.0301","","","0.0714","0.0747","","","","","","1.038","","","","has coordinates,has disorder","202644","2020-10-21","18:00:00",""
"4514195","10.3622","0.0004","11.0841","0.0003","13.1883","0.0005","100.947","0.002","102.623","0.002","105.014","0.002","1377.98","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Cl Ni P2 -","- C32 H35 Cl Ni P2 -","- C64 H70 Cl2 Ni2 P4 -","2","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0539","0.0384","","","0.088","0.0954","","","","","","1.041","","","","has coordinates","202644","2020-10-21","18:00:00",""
"4514196","9.1605","0.0004","12.4145","0.0005","15.8667","0.0007","91.003","0.002","105.64","0.002","97.611","0.002","1719.61","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H52 Hf N2 -","- C39 H52 Hf N2 -","- C78 H104 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0257","0.0213","","","0.0526","0.0534","","","","","","1.102","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514197","10.3324","0.0008","14.8323","0.0011","16.0844","0.0012","90","","97.923","0.003","90","","2441.5","0.3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Hf N2 -","- C28 H36 Hf N2 -","- C112 H144 Hf4 N8 -","4","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0407","0.0287","","","0.057","0.0609","","","","","","1.063","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514198","11.0762","0.0007","11.953","0.0008","12.8362","0.0009","79.555","0.003","66.82","0.003","67.872","0.003","1446.09","0.17","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 Hf N2 -","- C33 H40 Hf N2 -","- C66 H80 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.019","0.0166","","","0.0417","0.043","","","","","","1.083","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514199","9.6947","0.0004","12.8143","0.0005","22.3108","0.0009","91.516","0.002","95.983","0.002","93.882","0.002","2748.7","0.19","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Hf N2 -","- C32 H38 Hf N2 -","- C128 H152 Hf4 N8 -","4","2","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.041","0.0299","","","0.0598","0.0635","","","","","","1.042","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514200","9.3898","0.0005","10.7845","0.0006","13.8529","0.0007","87.005","0.002","78.576","0.002","86.78","0.003","1371.63","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 Hf N2 -","- C32 H36 Hf N2 -","- C64 H72 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0186","0.0159","","","0.0388","0.0394","","","","","","1.076","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514201","8.2547","0.0002","11.7633","0.0002","28.9888","0.0007","90","","90","","90","","2814.89","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br N3 O4 -","- C30 H30 Br N3 O4 -","- C120 H120 Br4 N12 O16 -","4","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.0529","0.0404","","","0.1009","0.1097","","","","","","1.025","","","","has coordinates","202643","2020-10-21","18:00:00",""
"4514202","9.6201","0.001","10.3131","0.0012","14.6525","0.0017","78.547","0.009","72.894","0.009","89.686","0.009","1359.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.1051","0.082","","","0.2112","0.2377","","","","","","1.044","","","","has coordinates","202643","2020-10-21","18:00:00",""
"4514205","9.6682","0.0005","10.6608","0.0004","48.1982","0.0018","90","","90","","90","","4967.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C248 H256 Fe8 O24 -","8","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.117","0.0688","","","0.1322","0.1484","","","","","","1.031","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514206","38.935","0.009","8.5678","0.0006","28.446","0.007","90","","133.9","0.04","90","","6837","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20.25 H24.25 Cl0.5 O2 -","- C20.25 H24.25 Cl0.5 O2 -","- C324 H388 Cl8 O32 -","16","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.1815","0.0915","","","0.2373","0.2838","","","","","","1.054","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514207","15.8414","0.0002","14.5592","0.0002","24.0253","0.0004","90","","90","","90","","5541.15","0.14","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H26 F6 Ir N3 O8 S2 -","- C21 H26 F6 Ir N3 O8 S2 -","- C168 H208 F48 Ir8 N24 O64 S16 -","8","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0287","","","","0.0528","","","","","","1.069","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514208","9.5878","0.0015","10.2028","0.0016","11.8401","0.0018","83.082","0.003","88.989","0.003","83.868","0.003","1143.2","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 F3 Ir N3 O5 S -","- C20 H25 F3 Ir N3 O5 S -","- C40 H50 F6 Ir2 N6 O10 S2 -","2","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0332","","","","0.0447","","","","","","1.013","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514209","11.9189","0.0008","11.9269","0.0008","13.6776","0.0009","89.671","0.005","67.67","0.006","63.388","0.007","1575.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 Cl2 N6 -","- C35 H32 Cl2 N6 -","- C70 H64 Cl4 N12 -","2","1","","Zhou, Xukai; Luo, Yixin; Kong, Lingheng; Xu, Youwei; Zheng, Guangfan; Lan, Yu; Li, Xingwei","Cp*CoIII-Catalyzed Branch-Selective Hydroarylation of Alkynes via C‒H Activation: Efficient Access to α-gem-Vinylindoles","ACS Catalysis","2017","7","10","7296","","10.1021/acscatal.7b02248","","","0.71073","MoKα","","0.0865","0.0585","","","0.1614","0.1908","","","","","","0.929","","","","has coordinates","202649","2020-10-21","18:00:00",""
"4514216","10.3642","0.00016","10.71104","0.00015","30.9626","0.0004","90","","90","","90","","3437.2","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H43 O P Si -","- C42 H43 O P Si -","- C168 H172 O4 P4 Si4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0255","0.0242","","","0.0605","0.0614","","","","","","1.039","","","","has coordinates","202650","2020-10-21","18:00:00",""
"4514217","4.7873","0.0001","12.3631","0.0002","25.26","0.0004","90","","90","","90","","1495.04","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0335","0.0328","","","0.0848","0.0853","","","","","","1.095","","","","has coordinates,has disorder","202650","2020-10-21","18:00:00",""
"4514218","7.1369","0.0003","13.1737","0.0007","35.7724","0.0017","90","","90","","90","","3363.3","0.3","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H6 F8 S2 -","- C20 H6 F8 S2 -","- C160 H48 F64 S16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0567","0.0419","","","0.0851","0.0898","","","","","","1.143","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514219","8.8663","0.0006","12.7576","0.0008","9.7375","0.0006","90","","112.848","0.002","90","","1015.01","0.11","153","","153","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl F4 Mg O3 -","- C18 H25 Cl F4 Mg O3 -","- C36 H50 Cl2 F8 Mg2 O6 -","2","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0443","0.0403","","","0.1059","0.1097","","","","","","1.05","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514220","39.6323","0.0016","11.1626","0.0004","19.9766","0.0008","90","","90","","90","","8837.6","0.6","273","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H30 F8 Ni O P2 -","- C48 H30 F8 Ni O P2 -","- C384 H240 F64 Ni8 O8 P16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","1.54178","CuKα","","0.048","0.0436","","","0.1305","0.1356","","","","","","1.023","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514221","7.7206","0.0003","10.8574","0.0004","19.0756","0.0007","90","","90.148","0.001","90","","1599.02","0.1","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F4 O2 S2 -","- C17 H10 F4 O2 S2 -","- C68 H40 F16 O8 S8 -","4","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0304","0.0276","","","0.0729","0.0747","","","","","","1.074","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514222","5.7087","0.0015","16.28","0.004","17.073","0.005","90","","90","","90","","1586.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O4 -","- C36 H32 N8 O4 -","- C72 H64 N16 O8 -","2","0.5","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide‒Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0388","0.0337","","","0.0833","0.0864","","","","","","1.009","","","","has coordinates","202653","2020-10-21","18:00:00",""
"4514223","11.611","0.002","19.247","0.004","8.0285","0.0016","90","","107.27","0.03","90","","1713.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide‒Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0469","0.0415","","","0.1115","0.1155","","","","","","1.045","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514224","5.9454","0.0003","23.5638","0.001","6.5353","0.0003","90","","104.593","0.004","90","","886.03","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0689","0.0644","","","0.1686","0.1724","","","","","","1.084","","","","has coordinates","202655","2020-10-21","18:00:00",""
"4514225","6.0866","0.0008","21.259","0.004","7.3676","0.001","90","","106.814","0.014","90","","912.6","0.3","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0727","0.0607","","","0.1637","0.1736","","","","","","1.076","","","","has coordinates","202655","2020-10-21","18:00:00",""
"4514226","27.734","0.002","9.9782","0.0005","18.5024","0.0011","90","","111.932","0.005","90","","4749.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H59 Cl3 Fe2 N2 Pd -","- C49 H59 Cl Fe2 N2 Pd -","- C196 H236 Cl4 Fe8 N8 Pd4 -","4","0.5","","Zhao, Minhui; Chen, Changle","Accessing Multiple Catalytically Active States in Redox-Controlled Olefin Polymerization","ACS Catalysis","2017","7","11","7490","","10.1021/acscatal.7b02564","","","1.54184","CuKα","","0.0619","0.0454","","","0.1162","0.1375","","","","","","1.065","","","","has coordinates,has disorder","202657","2020-10-21","18:00:00",""
"4514231","6.6244","0.0003","9.5477","0.0005","11.0255","0.0005","69.728","0.001","77.396","0.001","74.138","0.001","623.31","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C26 H22 Br2 O4 S2 -","2","1","","Li, Yiming; Wang, Ming; Jiang, Xuefeng","Controllable Sulfoxidation and Sulfenylation with Organic Thiosulfate Salts via Dual Electron- and Energy-Transfer Photocatalysis","ACS Catalysis","2017","7","11","7587","","10.1021/acscatal.7b02735","","","0.71073","MoKα","","0.0375","0.0321","","","0.0855","0.0893","","","","","","1.052","","","","has coordinates","202654","2020-10-21","18:00:00",""
"4514232","6.2606","0.0006","7.9157","0.0007","45.636","0.005","90","","90","","90","","2261.6","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O6 S -","- C26 H26 O6 S -","- C104 H104 O24 S4 -","4","1","","Wu, Zijun; Wang, Jian","Enantioselective Medium-Ring Lactone Synthesis through an NHC-Catalyzed Intramolecular Desymmetrization of Prochiral 1,3-Diols","ACS Catalysis","2017","7","11","7647","","10.1021/acscatal.7b02302","","","0.71073","MoKα","","0.0681","0.0606","","","0.1084","0.1123","","","","","","1.15","","","","has coordinates","202656","2020-10-21","18:00:00",""
"4514233","15.7631","0.0003","9.2957","0.0002","35.3175","0.0008","90","","95.742","0.002","90","","5149.07","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H32 Fe N P S -","- C30 H32 Fe N P S -","- C240 H256 Fe8 N8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0745","0.0763","","","","","","1.054","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514234","18.433","0.006","8.274","0.003","18.909","0.007","90","","117.569","0.003","90","","2556.4","1.6","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Fe P S -","- C28 H32 B Fe P S -","- C112 H128 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.0518","0.037","","","0.0837","0.0918","","","","","","1.026","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514235","12.13","0.009","11.24","0.009","23.29","0.018","90","","96.035","0.013","90","","3158","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B Fe P S -","- C36 H44 B Fe P S -","- C144 H176 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.1512","0.0592","","","0.109","0.1374","","","","","","0.949","","","","has coordinates,has disorder","202659","2020-10-21","18:00:00",""
"4514236","17.451","0.004","19.304","0.005","20.241","0.005","90","","90","","90","","6819","3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Fe O P S -","- C42 H41 Fe O P S -","- C336 H328 Fe8 O8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0804","0.0458","","","0.1226","0.1491","","","","","","0.94","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514237","10.13","0.002","14.433","0.003","16.554","0.004","90","","90","","90","","2420.3","0.9","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C28 H29 Cl Fe P S -","- C28 H29 Cl Fe P S -","- C112 H116 Cl4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0314","0.0289","","","0.0722","0.0742","","","","","","1.04","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514238","10.1455","0.0006","14.4475","0.0009","16.7227","0.0012","90","","90","","90","","2451.2","0.3","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C29 H29 Fe O P S -","- C29 H29 Fe O P S -","- C116 H116 Fe4 O4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0478","0.0347","","","0.0643","0.0682","","","","","","1.025","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514239","6.468","0.002","24.149","0.009","12.121","0.004","90","","101.11","0.016","90","","1857.8","1.1","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 -","- C20 H25 B O3 -","- C80 H100 B4 O12 -","4","2","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.116","0.0839","","","0.1856","0.2079","","","","","","0.958","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514246","9.5092","0.0006","12.3167","0.0008","15.9826","0.0008","90","","90","","90","","1871.91","0.19","290.56","0.1","290.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 S -","- C24 H18 O2 S -","- C96 H72 O8 S4 -","4","1","","Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","N-Heterocyclic Carbene-Catalyzed Atom-Economical and Enantioselective Construction of the C‒S Bond: Asymmetric Synthesis of Functionalized Thiochromans","ACS Catalysis","2017","7","11","7797","","10.1021/acscatal.7b02651","","","0.71073","MoKα","","0.0597","0.0484","","","0.096","0.1064","","","","","","1.047","","","","has coordinates","202652","2020-10-21","18:00:00",""
"4514247","9.3432","0.0005","12.1755","0.0006","14.6611","0.0008","90","","102.176","0.006","90","","1630.3","0.15","294.33","0.1","294.33","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0565","","","0.1158","0.146","","","","","","1.073","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514248","6.417","0.0004","7.0536","0.001","10.791","0.0007","90","","93.618","0.007","90","","487.46","0.08","294.59","0.1","294.59","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","0.5","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0605","","","0.1303","0.1713","","","","","","1.106","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514249","10.8566","0.0008","10.8566","0.0008","11.4924","0.0008","90","","90","","120","","1173.08","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 32","P 32","145","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C54 H51 N3 O9 -","3","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.0767","0.0538","","","0.1017","0.1193","","","","","","1.088","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514250","5.6577","0.0002","8.9036","0.0002","32.5408","0.0008","90","","90","","90","","1639.21","0.08","301","2","300.68","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Su, Yong-Liang; Han, Zhi-Yong; Li, Yu-Hui; Gong, Liu-Zhu","Asymmetric Allylation of Furfural Derivatives: Synergistic Effect of Chiral Ligand and Organocatalyst on Stereochemical Control","ACS Catalysis","2017","7","11","7917","","10.1021/acscatal.7b02667","","","1.54178","CuKα","","0.0493","0.0461","","","0.1248","0.1292","","","","","","1.135","","","","has coordinates","202651","2020-10-21","18:00:00",""
"4514251","11.127","0.001","11.586","0.001","16.948","0.002","85.617","0.002","75.929","0.002","70.932","0.002","2003","0.3","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H37 Cl4 Ir O3 P2 -","- C44 H37 Cl4 Ir O3 P2 -","- C88 H74 Cl8 Ir2 O6 P4 -","2","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.0387","0.0362","","","0.082","0.0832","","","","","","1.095","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514252","13.554","0.002","25.997","0.004","13.478","0.002","90","","108.116","0.002","90","","4513.7","1.2","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cl Ir N O7 P2 -","- C44 H32 Cl Ir N O7 P2 -","- C176 H128 Cl4 Ir4 N4 O28 P8 -","4","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.082","0.0787","","","0.1748","0.1765","","","","","","1.304","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514253","8.323","0.002","11.108","0.002","11.747","0.003","95.97","0.018","98.14","0.02","94.164","0.018","1065","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O3 Pd -","- C24 H20 N4 O3 Pd -","- C48 H40 N8 O6 Pd2 -","2","1","","Deb, Arghya; Singh, Sukriti; Seth, Kapileswar; Pimparkar, Sandeep; Bhaskararao, Bangaru; Guin, Srimanta; Sunoj, Raghavan B.; Maiti, Debabrata","Experimental and Computational Studies on Remote γ-C(sp3)‒H Silylation and Germanylation of Aliphatic Carboxamides","ACS Catalysis","2017","7","12","8171","","10.1021/acscatal.7b03056","","x-ray","1.54184","CuKα","","0.2606","0.1739","","","0.3856","0.4866","","","","","","1.131","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514278","16.3885","0.0003","16.597","0.0003","21.2038","0.0005","91.749","0.002","101.863","0.002","113.393","0.002","5139.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H104 O120 W19 Zn3 -","- Cu2 Gd4 O120 W19 Zn3 -","- Cu4 Gd8 O240 W38 Zn6 -","2","1","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.0651","0.0426","","","0.0924","0.1032","","","","","","1.038","","","","has coordinates","202575","2020-10-21","18:00:00",""
"4514279","12.3498","0.0013","13.2731","0.0013","16.0314","0.0011","68.011","0.008","70.892","0.008","69.811","0.009","2226.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H114 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","1","0.5","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.1359","0.0913","","","0.2082","0.2351","","","","","","1.266","","","","has coordinates","202576","2020-10-21","18:00:00",""
"4514280","11.051","0.0014","15.235","0.002","16.459","0.002","90","","105.354","0.004","90","","2672.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O7 Ru S -","- C26 H28 N4 O7 Ru S -","- C104 H112 N16 O28 Ru4 S4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Gimbert-Suriñach, Carolina; Benet-Buchholz, Jordi; Sala, Xavier; Llobet, Antoni","Hydrogen Bonding Rescues Overpotential in Seven-Coordinated Ru Water Oxidation Catalysts","ACS Catalysis","2017","7","10","6525","","10.1021/acscatal.7b01860","","","0.71073","MoKα","","0.043","0.0307","","","0.0696","0.0755","","","","","","1.037","","","","has coordinates,has disorder","202577","2020-10-21","18:00:00",""
"4514281","9.919","0.006","10.244","0.005","10.412","0.006","65.248","0.012","89.25","0.02","80.89","0.02","947","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Ir N2 O6 S -","- C17 H25 Ir N2 O6 S -","- C34 H50 Ir2 N4 O12 S2 -","2","1","","Kanega, Ryoichi; Onishi, Naoya; Szalda, David J.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands","ACS Catalysis","2017","7","10","6426","","10.1021/acscatal.7b02280","","","0.71075","MoKα","","0.0483","0.0447","","","0.107","0.1104","","","","","","1.111","","","","has coordinates","202578","2020-10-21","18:00:00",""
"4514282","12.1349","0.0008","12.2766","0.0008","18.6225","0.0012","85.388","0.001","74.176","0.001","65.392","0.001","2425","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0257","0.0227","","","0.0463","0.0473","","","","","","1.009","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514283","12.196","0.004","12.295","0.004","18.618","0.006","86.04","0.01","73.489","0.009","64.932","0.01","2420.3","1.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.95 H139.51 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0976","0.0853","","","0.2324","0.2427","","","","","","1.108","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514284","12.0666","0.0005","12.3213","0.0006","18.3525","0.0008","74.092","0.001","87.97","0.001","65.236","0.001","2372.91","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0784","0.0533","","","0.0948","0.102","","","","","","0.83","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514285","17.557","0.006","19.409","0.008","12.845","0.004","90","","99.726","0.008","90","","4314","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 In2 N4 O6 -","- C72 H104 In2 N4 O6 -","- C144 H208 In4 N8 O12 -","2","0.5","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.1051","0.0588","","","0.1453","0.1893","","","","","","1.081","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514286","5.1494","0.0009","10.5103","0.0018","23.635","0.004","90","","90","","90","","1279.2","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-(4-Bromophenyl)-4-oxo-4-(1H-pyrrol-1-yl)butanenitrile","","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C56 H44 Br4 N8 O4 -","4","1","","Hatano, Manabu; Yamakawa, Katsuya; Ishihara, Kazuaki","Enantioselective Conjugate Hydrocyanation of α,β-Unsaturated N-Acylpyrroles Catalyzed by Chiral Lithium(I) Phosphoryl Phenoxide","ACS Catalysis","2017","7","10","6686","","10.1021/acscatal.7b02551","","","0.71075","MoKα","","0.0205","0.0188","","","0.0391","0.0393","","","","","","0.967","","","","has coordinates","202580","2020-10-21","18:00:00",""
"4514289","8.76727","0.00017","24.7029","0.0005","9.7159","0.0002","90","","100.555","0.0018","90","","2068.63","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 N4 O2 -","- C23 H19 F3 N4 O2 -","- C92 H76 F12 N16 O8 -","4","1","","Ye, Jian-Heng; Zhu, Lei; Yan, Si-Shun; Miao, Meng; Zhang, Xin-Chi; Zhou, Wen-Jun; Li, Jing; Lan, Yu; Yu, Da-Gang","Radical Trifluoromethylative Dearomatization of Indoles and Furans with CO2","ACS Catalysis","2017","7","12","8324","","10.1021/acscatal.7b02533","","","1.54184","CuKα","","0.0582","0.0548","","","0.1459","0.1498","","","","","","1.06","","","","has coordinates","203978","2020-10-21","18:00:00",""
"4514290","9.4232","0.0007","10.4405","0.0005","14.3166","0.0012","98.121","0.006","99.958","0.007","116.027","0.007","1208.5","0.18","100","0.1","100","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N8 Ru -","- C20 H20 Cl2 N8 Ru -","- C40 H40 Cl4 N16 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0935","0.0799","","","0.2203","0.2324","","","","","","1.139","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514291","6.9529","0.0002","11.5712","0.0007","16.87","0.0013","92.79","0.006","99.326","0.004","96.309","0.004","1328.14","0.14","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O3.95 Ru -","- C24 H22 Cl2 N2 O3.95 Ru -","- C48 H44 Cl4 N4 O7.9 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","0.71073","MoKα","","0.1093","0.0767","","","0.1942","0.2107","","","","","","1","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514292","10.6051","0.0008","10.7857","0.0009","16.5095","0.0015","93.576","0.007","102.19","0.007","107.715","0.007","1742","0.3","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H23 Br Cl11 N5 Ru -","- C23 H23 Br Cl11 N5 Ru -","- C46 H46 Br2 Cl22 N10 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0782","0.0659","","","0.1708","0.1847","","","","","","1.023","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514293","12.1191","0.0018","13.987","0.002","14.338","0.002","66.838","0.002","73.267","0.002","64.731","0.002","1999.6","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 Zn -","- C46 H48 N4 Zn -","- C92 H96 N8 Zn2 -","2","1","","Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I.","Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles","ACS Catalysis","2017","7","12","8454","","10.1021/acscatal.7b02811","","","0.71073","MoKα","","0.0751","0.0457","","","0.124","0.1462","","","","","","1.056","","","","has coordinates,has disorder","203979","2020-10-21","18:00:00",""
"4514298","13.1807","0.0013","21.777","0.002","15.5892","0.0017","90","","97.999","0.008","90","","4431.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.67 H38.67 Cl0.67 N1.33 Ni0.67 P0.67 -","- C52 H58 Cl N2 Ni P -","- C208 H232 Cl4 N8 Ni4 P4 -","4","1","","Nazari, S. Hadi; Bourdeau, Jefferson E.; Talley, Michael R.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Michaelis, David J.","Nickel-Catalyzed Suzuki Cross Couplings with Unprotected Allylic Alcohols Enabled by Bidentate N-Heterocyclic Carbene (NHC)/Phosphine Ligands","ACS Catalysis","2017","8","1","86","","10.1021/acscatal.7b03079","","","1.54178","CuKα","","0.1346","0.1167","","","0.2832","0.2925","","","","","","1.869","","","","has coordinates","206114","2020-10-21","18:00:00",""
"4514299","18.468","0.003","5.7696","0.0008","29.486","0.004","90","","91.375","0.002","90","","3140.9","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C144 H144 O16 S16 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.0491","0.0374","","","0.0903","0.0999","","","","","","1.002","","","","has coordinates,has disorder","206115","2020-10-21","18:00:00",""
"4514300","19.9655","0.0017","9.2515","0.0008","27.268","0.002","90","","104.314","0.002","90","","4880.3","0.7","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 N O3 S -","- C29 H29 N O3 S -","- C232 H232 N8 O24 S8 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.1005","0.0557","","","0.1409","0.1631","","","","","","1.013","","","","has coordinates","206115","2020-10-21","18:00:00",""
"4514301","17.6216","0.0007","14.3906","0.0005","22.3619","0.0009","90","","91.6518","0.0014","90","","5668.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C121 H176 O12 P2 Sc2 -","- C121 H176 O12 P2 Sc2 -","- C242 H352 O24 P4 Sc4 -","2","0.5","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0775","0.0505","","","0.1318","0.1567","","","","","","1.042","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514302","13.4046","0.0006","15.1609","0.0007","28.5176","0.0013","90","","103.471","0.002","90","","5636.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 O5 P Sc -","- C60 H86 O5 P Sc -","- C240 H344 O20 P4 Sc4 -","4","1","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0757","0.0485","","","0.1285","0.1546","","","","","","1.054","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514315","9.528","0.003","10.803","0.003","12.452","0.003","94.682","0.005","100.658","0.005","98.889","0.005","1236.4","0.6","93","2","93","2","","","","","","","","5","P 1","P 1","1","(R)-N-(1-(1-benzyl-1H-indol-3-yl)-1-phenylethyl) -4-methylbenzenesulfonamide","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C60 H56 N4 O4 S2 -","2","2","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.0418","0.0378","","","0.092","0.0933","","","","","","1.022","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4514316","15.348","0.007","11.244","0.004","17.721","0.007","90","","102.716","0.009","90","","2983","2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-Ar2-BINSA calcium(II) salt","","","- C60 H48 Ca O10 S2 -","- C60 H48 Ca O10 S2 -","- C120 H96 Ca2 O20 S4 -","2","1","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.1374","0.0797","","","0.1955","0.216","","","","","","0.872","","","","has coordinates","206118","2020-10-21","18:00:00",""
"4514318","15.5416","0.0005","22.2438","0.0009","23.488","0.0012","90","","90","","90","","8119.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H76 Cl4 O10 Rh2 -","- C92 H76 Cl4 O10 Rh2 -","- C368 H304 Cl16 O40 Rh8 -","4","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","x-ray","0.71073","MoKα","","0.1316","0.1076","","","0.2028","0.2137","","","","","","1.142","","","","has coordinates,has disorder","206116","2020-10-21","18:00:00",""
"4514319","11.764","0.003","17.436","0.004","26.079","0.007","90","","91.389","0.006","90","","5348","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H114 O11 Rh2 -","- C124 H114 O11 Rh2 -","- C248 H228 O22 Rh4 -","2","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","","0.71073","MoKα","","0.1395","0.0987","","","0.1964","0.2181","","","","","","1.104","","","","has coordinates","206116","2020-10-21","18:00:00",""
"4514320","12.5906","0.0002","22.4298","0.0004","11.671","0.0002","90","","101.86","0.0007","90","","3225.58","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43.6 Ca I2 N6 O6.8 -","- C18 H43.6 Ca I2 N6 O6.8 -","- C72 H174.4 Ca4 I8 N24 O27.2 -","4","1","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0285","0.0239","","","0.0554","0.0576","","","","","","1.048","","","","has coordinates","206119","2020-10-21","18:00:00",""
"4514321","10.6093","0.0002","7.3183","0.0001","18.0196","0.0003","90","","96.6981","0.0005","90","","1389.53","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Ca I2 N3 O7 -","- C18 H39 Ca I2 N3 O7 -","- C36 H78 Ca2 I4 N6 O14 -","2","0.5","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0223","0.0196","","","0.0466","0.048","","","","","","1.085","","","","has coordinates,has disorder","206119","2020-10-21","18:00:00",""
"4514324","5.7745","0.0004","15.6042","0.0012","16.0104","0.0012","90","","94.458","0.001","90","","1438.28","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 F O2 -","- C18 H17 F O2 -","- C72 H68 F4 O8 -","4","2","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0577","0.043","","","0.1075","0.1154","","","","","","1.054","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514325","20.627","0.002","10.6003","0.0011","14.9178","0.0015","90","","90","","90","","3261.8","0.6","190","2","190","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H32 Cl2 F4 Ir2 -","- C40 H32 Cl2 F4 Ir2 -","- C160 H128 Cl8 F16 Ir8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0411","0.0309","","","0.0652","0.069","","","","","","1.06","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514326","18.1462","0.0018","7.5224","0.0007","22.412","0.002","90","","92.604","0.005","90","","3056.1","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0886","0.0461","","","0.0804","0.0917","","","","","","1.024","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514327","6.1963","0.0006","13.8442","0.0013","8.5199","0.0009","90","","101.713","0.005","90","","715.64","0.12","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 F N O2 S -","- C14 H18 F N O2 S -","- C28 H36 F2 N2 O4 S2 -","2","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0312","0.0279","","","0.0673","0.0691","","","","","","1.028","","","","has coordinates,has disorder","206131","2020-10-21","18:00:00",""
"4514328","5.9526","0.0005","9.1966","0.0007","33.092","0.003","90","","90","","90","","1811.6","0.3","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 F O2 -","- C22 H27 F O2 -","- C88 H108 F4 O8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.049","0.0405","","","0.1024","0.1072","","","","","","1.08","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514336","8.4938","0.001","10.8107","0.001","16.6719","0.0019","104.927","0.003","95.326","0.004","99.344","0.004","1445","0.3","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Br N4 O2 -","- C34 H33 Br N4 O2 -","- C68 H66 Br2 N8 O4 -","2","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0417","0.038","","","0.0968","0.0989","","","","","","1.028","","","","has coordinates,has disorder","206122","2020-10-21","18:00:00",""
"4514337","10.1934","0.0006","10.7135","0.0006","17.2661","0.0011","89.316","0.002","85.141","0.002","82.592","0.002","1863.12","0.19","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O -","- C21 H27 N3 O -","- C84 H108 N12 O4 -","4","2","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0394","","","0.1086","0.1119","","","","","","1.043","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514338","6.2748","0.0005","13.137","0.0011","24.081","0.002","90","","90","","90","","1985","0.3","101","","101.23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","1.54178","CuKα","","0.026","0.0259","","","0.0658","0.0659","","","","","","1.077","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514339","10.0808","0.0007","9.7488","0.0006","15.9224","0.0012","90","","108.079","0.003","90","","1487.53","0.18","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0395","","","0.1026","0.1064","","","","","","1.053","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514340","10.0431","0.001","9.7828","0.0011","15.4733","0.0011","90","","99.887","0.004","90","","1497.7","0.2","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0452","0.0406","","","0.1135","0.1176","","","","","","1.038","","","","has coordinates,has disorder","206122","2020-10-21","18:00:00",""
"4514341","9.722","0.002","6.1683","0.0014","19.747","0.004","90","","102.561","0.004","90","","1155.8","0.4","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F N2 O7 Se -","- C25 H21 F N2 O7 Se -","- C50 H42 F2 N4 O14 Se2 -","2","1","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.0347","0.0319","","","0.0691","0.0702","","","","","","1","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514342","12.1582","0.0004","19.1469","0.0006","23.6521","0.0008","80.268","0.001","80.837","0.002","84.148","0.002","5341.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H39 O4.5 S0.5 Se -","- C27 H39 O4.5 S0.5 Se -","- C216 H312 O36 S4 Se8 -","8","8","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","1.54178","CuKα","","0.0438","0.039","","","0.0944","0.0974","","","","","","1.03","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514343","6.7417","0.0005","22.7327","0.0016","16.9277","0.0011","90","","101.477","0.002","90","","2542.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O4 Se -","- C18 H18 F2 O4 Se -","- C108 H108 F12 O24 Se6 -","6","3","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.026","0.0228","","","0.0457","0.0478","","","","","","1.055","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514344","9.9745","0.0006","14.6282","0.0009","21.2096","0.0013","103.406","0.002","99.818","0.002","90.008","0.002","2963.7","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C31 H50 B N2 P Ru -","- C31 H50 B N2 P Ru -","- C124 H200 B4 N8 P4 Ru4 -","4","2","","Beguerie, Marion; Dinoi, Chiara; del Rosal, Iker; Faradji, Charly; Alcaraz, Gilles; Vendier, Laure; Sabo-Etienne, Sylviane","Mechanistic Studies on the Catalytic Synthesis of BN Heterocycles (1H-2,1-Benzazaboroles) at Ruthenium","ACS Catalysis","2018","8","2","939","","10.1021/acscatal.7b03461","","","0.71073","MoKα","","0.0579","0.0362","","","0.0749","0.0855","","","","","","1.083","","","","has coordinates","206126","2020-10-21","18:00:00",""
"4514345","12.513","0.002","17.266","0.003","12.709","0.002","90","","107.182","0.003","90","","2623.2","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jonnk09","","","- C59 H96 Mn N O4 P2 -","- C59 H96 Mn N O4 P2 -","- C118 H192 Mn2 N2 O8 P4 -","2","0.5","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0878","0.0526","","","0.1155","0.131","","","","","","1.037","","","","has coordinates,has disorder","206120","2020-10-21","18:00:00",""
"4514346","16.074","0.003","19.166","0.004","16.17","0.003","90","","113.805","0.004","90","","4557.8","1.5","100","0.5","100","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","jonnk11","","","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C190 H288 Br4 Cl12 Mn4 N4 O8 P8 -","4","2","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0735","0.0465","","","0.0832","0.0931","","","","","","1.014","","","","has coordinates","206120","2020-10-21","18:00:00",""
"4514350","11.9405","0.0005","12.2853","0.0004","20.3054","0.0006","103.183","0.003","102.56","0.003","98.477","0.003","2769.26","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 F12 Fe2 N10 O15 S4 -","- C46 H38 F12 Fe2 N10 O15 S4 -","- C92 H76 F24 Fe4 N20 O30 S8 -","2","1","","Kottrup, Konstantin G.; D'Agostini, Silvia; van Langevelde, Phebe H.; Siegler, Maxime A.; Hetterscheid, Dennis G. H.","Catalytic Activity of an Iron-Based Water Oxidation Catalyst: Substrate Effects of Graphitic Electrodes.","ACS catalysis","2018","8","2","1052","1061","10.1021/acscatal.7b03284","","","1.54178","CuKα","","0.0709","0.0541","","","0.1342","0.1404","","","","","","0.921","","","","has coordinates,has disorder","227501","2020-10-21","18:00:00",""
"4514351","20.0688","0.0003","9.57471","0.00012","21.8114","0.0003","90","","113.315","0.0018","90","","3848.9","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","4","","Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo","Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis","ACS Catalysis","2018","8","2","1062","","10.1021/acscatal.7b03788","","","0.7107","MoKα","","0.0722","0.0503","","","0.1298","0.1462","","","","","","0.99","","","","has coordinates,has disorder","206124","2020-10-21","18:00:00",""
"4514352","11.0218","0.0004","16.5594","0.0006","17.2264","0.0007","76.1184","0.0015","89.3326","0.0015","82.0211","0.0015","3021.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Fe N3 O S4 -","- C31 H27 Fe N3 O S4 -","- C124 H108 Fe4 N12 O4 S16 -","4","2","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0605","0.0414","","","0.1083","0.1215","","","","","","1.016","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514353","10.4477","0.0004","12.8949","0.0005","13.2739","0.0006","64.316","0.001","67.177","0.001","79.099","0.002","1484.95","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Fe N2 O S4 -","- C32 H32 Fe N2 O S4 -","- C64 H64 Fe2 N4 O2 S8 -","2","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.067","0.0442","","","0.1076","0.1191","","","","","","1.05","","","","has coordinates,has disorder","206133","2020-10-21","18:00:00",""
"4514354","28.2857","0.0008","7.9962","0.0002","15.1492","0.0004","90","","90","","90","","3426.42","0.16","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H36 Fe N3 O3 P S4 -","- C33 H36 Fe N3 O3 P S4 -","- C132 H144 Fe4 N12 O12 P4 S16 -","4","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0545","0.0484","","","0.0842","0.0857","","","","","","1.288","","","","has coordinates","206133","2020-10-21","18:00:00",""
"4514356","10.0101","0.0004","19.2905","0.001","14.2617","0.0007","90","","110.537","0.003","90","","2578.9","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H37 Cl4 Cr Li N2 O2 P -","- C18 H37 Cl4 Cr Li N2 O2 P -","- C72 H148 Cl16 Cr4 Li4 N8 O8 P4 -","4","1","","Kwon, Doo-Hyun; Fuller, Jack T.; Kilgore, Uriah J.; Sydora, Orson L.; Bischof, Steven M.; Ess, Daniel H.","Computational Transition-State Design Provides Experimentally Verified Cr(P,N) Catalysts for Control of Ethylene Trimerization and Tetramerization","ACS Catalysis","2018","8","2","1138","","10.1021/acscatal.7b04026","","x-ray","1.54178","CuKα","K-L~3~","0.0941","0.059","","","0.1433","0.1604","","","","","","1.024","","","","has coordinates","206123","2020-10-21","18:00:00",""
"4514357","9.92477","0.00006","18.1707","0.00013","27.0531","0.00016","90","","90","","90","","4878.76","0.05","125","","125","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Br N2 O -","- C30 H27 Br N2 O -","- C240 H216 Br8 N16 O8 -","8","1","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","1.54187","CuKα","","0.0281","0.0272","","","0.0785","0.0793","","","","","","1.054","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514358","14.476","0.003","17.657","0.004","18.147","0.004","81.051","0.014","77.873","0.012","82.012","0.013","4452.5","1.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27.67 Br N2 O1.33 -","- C30 H27 Br N2 O1.33333 -","- C180 H162 Br6 N12 O8 -","6","3","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","0.71075","MoKα","","0.2852","0.1239","","","0.2958","0.4058","","","","","","0.974","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514359","11.4354","0.0014","18.923","0.002","18.566","0.002","90","","97.981","0.002","90","","3978.6","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H68 Br4 Cl4 N4 Ni2 -","- C94 H68 Br4 Cl4 N4 Ni2 -","- C188 H136 Br8 Cl8 N8 Ni4 -","2","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0946","0.0473","","","0.1116","0.1371","","","","","","1.016","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514360","24.752","0.006","10.97","0.003","22.093","0.005","90","","90","","90","","5999","3","173.15","","173.15","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C52 H44 Br2 Cl8 N2 Ni -","- C52 H44 Br2 Cl8 N2 Ni -","- C208 H176 Br8 Cl32 N8 Ni4 -","4","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0543","0.0346","","","0.0809","0.089","","","","","","1.018","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514361","13.579","0.002","14.443","0.002","18.148","0.003","90","","109.503","0.003","90","","3355","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br2 N2 Ni -","- C38 H36 Br2 N2 Ni -","- C152 H144 Br8 N8 Ni4 -","4","1","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.1393","0.0966","","","0.2194","0.2339","","","","","","1.157","","","","has coordinates,has disorder","206132","2020-10-21","18:00:00",""
"4514363","16.336","0.0013","12.2113","0.001","27.367","0.002","90","","91.146","0.001","90","","5458.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 Fe N2 O3 P2 -","- C23 H47 Fe N2 O3 P2 -","- C184 H376 Fe8 N16 O24 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.0634","0.0492","","","0.1251","0.1337","","","","","","1.066","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514364","19.086","0.004","16.908","0.004","15.109","0.003","90","","113.043","0.004","90","","4486.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H39 Fe N O2 P2 -","- C19 H39 Fe N O2 P2 -","- C152 H312 Fe8 N8 O16 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.1104","0.0552","","","0.0898","0.1066","","","","","","1.033","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514365","8.6289","0.0006","29.4056","0.0019","13.2362","0.0011","90","","108.974","0.002","90","","3176","0.4","100","2","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C84 H160 F24 Fe4 Li4 N4 O32 P8 S8 -","4","1","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.066","0.0458","","","0.086","0.0934","","","","","","1.062","","","","has coordinates","206128","2020-10-21","18:00:00",""
"4514366","35.2177","0.0018","35.2177","0.0018","35.2177","0.0018","90","","90","","90","","43680","4","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C78 H94 Ag4 F9 N24 O22 S6 -","- C78 H82.995 Ag4 F9 N24 O21.99 S6 -","- C624 H663.96 Ag32 F72 N192 O175.92 S48 -","8","0.666667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2813","0.0994","","","0.1962","0.2277","","","","","","1.041","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514367","35.191","0.0008","35.191","0.0008","35.191","0.0008","90","","90","","90","","43580.8","1.7","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C150 H164 Ag8 F9 N53 O25 S12 -","- C149.88 H159.78 Ag8 F9 N52.98 O24.99 S12 -","- C599.52 H639.12 Ag32 F36 N211.92 O99.96 S48 -","4","0.333333","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2886","0.0984","","","0.2199","0.2477","","","","","","1.001","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514368","35.835","0.011","35.835","0.011","35.835","0.011","90","","90","","90","","46017","2","230","2","230","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C120 H162 Ag8 F0 N60 O18 S13 -","- C120 H129.96 Ag8 N60 O18.02 S13 -","- C480 H519.84 Ag32 N240 O72.08 S52 -","4","0.166667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2806","0.0985","","","0.2249","0.2409","","","","","","1.072","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514369","6.78","0.0006","10.4553","0.0009","18.9129","0.0016","90","","90","","90","","1340.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-3-((z)-4-Chlorobenzylidene)-7a-methyl-2,3,3a,7a-tetrahydrobenzofuran-5(4H)-one","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Gollapelli, Krishna Kumar; Donikela, Sangeetha; Manjula, Nemali; Chegondi, Rambabu","Rhodium-Catalyzed Highly Regio- and Enantioselective Reductive Cyclization of Alkyne-Tethered Cyclohexadienones","ACS Catalysis","2018","8","2","1440","","10.1021/acscatal.7b04054","","","0.71073","MoKα","","0.0562","0.0549","","","0.1319","0.1326","","","","","","1.254","","","","has coordinates","206130","2020-10-21","18:00:00",""
"4514377","9.418","0.0009","10.2752","0.001","18.5554","0.0018","94.536","0.002","92.905","0.002","96.975","0.001","1773.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Ni O P2 -","- C45 H38 Ni O P2 -","- C90 H76 Ni2 O2 P4 -","2","1","","Zhang, Xin; Tutkowski, Brandon; Oliver, Allen; Helquist, Paul; Wiest, Olaf","Mechanistic Study of the Nickel-Catalyzed α,β-Coupling of Saturated Ketones","ACS Catalysis","2018","8","3","1740","","10.1021/acscatal.7b04105","","","0.71073","MoKα","","0.0474","0.0358","","","0.0868","0.0924","","","","","","1.015","","","","has coordinates","227507","2020-10-21","18:00:00",""
"4514378","4.3637","","8.4176","0.0001","20.062","0.0002","90","","90","","90","","736.915","0.011","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui","Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel–Crafts Alkylation of 1-Naphthols at the C4 Position","ACS Catalysis","2018","","","1810","","10.1021/acscatal.7b03268","","x-ray","1.54184","CuKα","","0.0262","0.026","","","0.0676","0.0678","","","","","","1.0564","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4514379","9.4584","0.0012","13.011","0.0016","17.4","0.002","90","","90","","90","","2141.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Br N O3 -","- C26 H20 Br N O3 -","- C104 H80 Br4 N4 O12 -","4","1","","Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui","Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel‒Crafts Alkylation of 1-Naphthols at the C4 Position","ACS Catalysis","2018","","","1810","","10.1021/acscatal.7b03268","","","0.71073","MoKα","","0.082","0.0464","","","0.1071","0.1188","","","","","","1.008","","","","has coordinates","205970","2020-10-21","18:00:00",""
"4514380","13.6373","0.0005","15.8546","0.0006","8.1178","0.0002","90","","104.499","0.002","90","","1699.28","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Kuppusamy, Ramajayam; Santhoshkumar, Rajagopal; Boobalan, Ramadoss; Wu, Hsin-Ru; Cheng, Chien-Hong","Synthesis of 1,2-Dihydroquinolines by Co(III)-Catalyzed [3 + 3] Annulation of Anilides with Benzylallenes","ACS Catalysis","2018","8","3","1880","","10.1021/acscatal.7b04087","","","0.71073","MoKα","","0.0514","0.0409","","","0.0984","0.112","","","","","","1.081","","","","has coordinates","227503","2020-10-21","18:00:00",""
"4514381","9.027","0.004","10.076","0.003","20.28","0.008","90","","90","","90","","1844.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AGC-247","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0653","0.0365","","","0.0833","0.098","","","","","","1.051","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514382","8.8134","0.0003","9.1977","0.0003","10.6394","0.0004","90","","94.6009","0.0017","90","","859.68","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","AGC236","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0491","0.0372","","","0.0928","0.108","","","","","","1.107","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514383","13.9676","0.0003","23.8405","0.0005","5.5166","0.0001","90","","90","","90","","1837","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","FE01059","","","- C18 H17 Br N2 O5 -","- C18 H17 Br N2 O5 -","- C72 H68 Br4 N8 O20 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0591","0.0341","","","0.0862","0.0955","","","","","","1.02","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514384","9.8164","0.0003","14.358","0.0004","17.0526","0.0004","90","","90.736","0.003","90","","2403.26","0.11","293.06","0.1","293.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N2 O3 Rh S -","- C24 H29 N2 O3 Rh S -","- C96 H116 N8 O12 Rh4 S4 -","4","1","","Ran, You; Yang, Yudong; You, Huansha; You, Jingsong","RhCl3-Catalyzed Oxidative C‒H/C‒H Cross-Coupling of (Hetero)aromatic Sulfonamides with (Hetero)arenes","ACS Catalysis","2018","8","3","1796","","10.1021/acscatal.7b04298","","x-ray","1.54184","CuKα","","0.0643","0.0588","","","0.1633","0.1738","","","","","","1.052","","","","has coordinates","227506","2020-10-21","18:00:00",""
"4514387","11.693","0.004","6.314","0.002","15.57","0.005","90","","103.875","0.006","90","","1116","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O -","- C26 H24 Br N O -","- C52 H48 Br2 N2 O2 -","2","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0821","0.0417","","","0.0956","0.1107","","","","","","0.924","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514388","11.7229","0.0007","13.9765","0.0009","13.8227","0.0008","90","","91.721","0.001","90","","2263.8","0.2","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F6 N3 P Pd -","- C23 H22 F6 N3 P Pd -","- C92 H88 F24 N12 P4 Pd4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0364","0.0277","","","0.0643","0.068","","","","","","1.025","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514394","14.1793","0.0011","34.531","0.003","16.0684","0.0012","90","","113.726","0.001","90","","7202.5","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonhy07","M(e2PheBox)Ir(O2CEt)2","","- C24 H33 Ir N2 O6 -","- C24 H33 Ir N2 O6 -","- C288 H396 Ir12 N24 O72 -","12","3","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0831","0.0428","","","0.0828","0.0956","","","","","","1.016","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514395","17.9996","0.0009","11.5553","0.0006","15.0325","0.0008","90","","100.311","0.001","90","","3076.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy12","","","- C28 H43 Ir N2 O7 -","- C28 H43 Ir N2 O7 -","- C112 H172 Ir4 N8 O28 -","4","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0731","0.041","","","0.0739","0.0849","","","","","","1.022","","","","has coordinates,has disorder","227504","2020-10-21","18:00:00",""
"4514396","10.4412","0.0012","11.3139","0.0013","13.9001","0.0017","75.379","0.002","83.373","0.002","84.494","0.002","1574.4","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonhy10","","","- C34 H39 Ir N2 O7 -","- C34 H39 Ir N2 O7 -","- C68 H78 Ir2 N4 O14 -","2","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0881","0.0465","","","0.0677","0.0767","","","","","","1.023","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514397","12.1132","0.0012","39.536","0.004","11.7754","0.0011","90","","94.196","0.0015","90","","5624.2","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy09","(Me2PheBox)Ir(O2CH=CMe2)(H2O)","","- C28 H39 Ir N2 O7 -","- C28 H39 Ir N2 O7 -","- C224 H312 Ir8 N16 O56 -","8","2","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.1021","0.0531","","","0.0945","0.1102","","","","","","1.026","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514398","20.2301","0.0017","28.431","0.002","43.025","0.003","90","","90","","90","","24746","3","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C87 H190 N3 O38 P Si3 Ti W9 -","- C87 H190 N3 O38 P Si3 Ti W9 -","- C696 H1520 N24 O304 P8 Si24 Ti8 W72 -","8","1","","Zhang, Teng; Mazaud, Louis; Chamoreau, Lise-Marie; Paris, Céline; Proust, Anna; Guillemot, Geoffroy","Unveiling the Active Surface Sites in Heterogeneous Titanium-Based Silicalite Epoxidation Catalysts: Input of Silanol-Functionalized Polyoxotungstates as Soluble Analogues","ACS Catalysis","2018","8","3","2330","","10.1021/acscatal.8b00256","","","0.71073","MoKα","","0.0489","0.0292","","","0.046","0.0506","","","","","","1.064","","","","has coordinates,has disorder","227508","2020-10-21","18:00:00",""
"4514400","17.4516","0.0009","7.5513","0.0004","15.134","0.0008","90","","107.604","0.006","90","","1900.99","0.18","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.2215","0.0834","","","0.1897","0.2728","","","","","","1.0947","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514401","10.0272","0.0006","23.326","0.0013","22.7595","0.0012","90","","95.922","0.002","90","","5294.9","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H51 Cl3 F6 N3 P3 Ru -","- C61 H51 Cl3 F6 N3 P3 Ru -","- C244 H204 Cl12 F24 N12 P12 Ru4 -","4","1","","Paul, Bhaskar; Shee, Sujan; Panja, Dibyajyoti; Chakrabarti, Kaushik; Kundu, Sabuj","Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated Amines from Nitriles Using Methanol: Experimental and Computational Studies","ACS Catalysis","2018","8","4","2890","","10.1021/acscatal.8b00021","","","0.71073","MoKα","","0.1801","0.0816","","","0.1682","0.211","","","","","","1.0774","","","","has coordinates","227499","2020-10-21","18:00:00",""
"4514406","11.6182","0.0003","17.9333","0.0002","12.329","0.0002","90","","115.788","0.002","90","","2312.95","0.08","150","0.1","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H49 Cl2 I O2 P2 Pd -","- C52 H49 Cl2 I O2 P2 Pd -","- C104 H98 Cl4 I2 O4 P4 Pd2 -","2","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","","1.54184","CuKα","","0.0588","0.0586","","","0.1576","0.1578","","","","","","1.051","","","","has coordinates","223175","2020-10-21","18:00:00",""
"4514407","7.15","0.0003","19.5691","0.0007","24.0399","0.0011","90","","90","","90","","3363.6","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cr N O5 P -","- C37 H36 Cr N O5 P -","- C148 H144 Cr4 N4 O20 P4 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0689","0.059","","","0.1589","0.169","","","","","","1.059","","","","has coordinates,has disorder","223175","2020-10-21","18:00:00",""
"4514408","11.7485","0.0003","26.0007","0.0009","18.5841","0.0006","90","","106.036","0.003","90","","5456","0.3","150","","150","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C62 H74.56 Ag O4.78 P2 -","- C62 H74.56 Ag O4.78 P2 -","- C248 H298.24 Ag4 O19.12 P8 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","0.71073","MoKα","","0.0813","0.0523","","","0.1157","0.125","","","","","","1.011","","","","has coordinates,has disorder","223175","2020-10-21","18:00:00",""
"4514409","6.4182","0.0003","21.7785","0.001","19.0994","0.0008","90","","96.787","0.003","90","","2651","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N O3 S -","- C31 H31 N O3 S -","- C124 H124 N4 O12 S4 -","4","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.1478","0.0786","","","0.1837","0.2264","","","","","","1.014","","","","has coordinates,has disorder","223176","2020-10-21","18:00:00",""
"4514412","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B.","Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions","ACS Catalysis","2019","9","6","5474","","10.1021/acscatal.9b01338","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","223180","2020-10-21","18:00:00",""
"4514413","7.46343","0.00007","12.81878","0.00013","18.68909","0.00019","90","","93.9187","0.0009","90","","1783.84","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Ir -","- C20 H26 Cl Ir -","- C80 H104 Cl4 Ir4 -","4","1","","Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B.","Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions","ACS Catalysis","2019","9","6","5474","","10.1021/acscatal.9b01338","","x-ray","0.71073","MoKα","","0.0366","0.029","","","0.0622","0.0641","","","","","","1.094","","","","has coordinates","223180","2020-10-21","18:00:00",""
"4514414","10.8842","0.0004","11.4192","0.0004","15.8101","0.0006","90","","104.557","0.003","90","","1901.94","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Br2 Co N3 -","- C15 H27 Br2 Co N3 -","- C60 H108 Br8 Co4 N12 -","4","1","","Pattanaik, Sandip; Gunanathan, Chidambaram","Cobalt-Catalyzed Selective Synthesis of Disiloxanes and Hydrodisiloxanes","ACS Catalysis","2019","9","6","5552","","10.1021/acscatal.9b00305","","x-ray","0.71073","MoKα","","0.1085","0.0554","","","0.1499","0.1761","","","","","","1.028","","","","has coordinates","223177","2020-10-21","18:00:00",""
"4514415","11.1449","0.0014","12.2086","0.0015","11.4303","0.0015","90","","107.468","0.002","90","","1483.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0773","0.0482","","","0.1459","0.1696","","","","","","0.999","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514416","8.7858","0.0016","9.9521","0.0018","13.706","0.004","100.933","0.004","94.003","0.004","112.813","0.003","1070.9","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C44 H50 N6 O8 -","2","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514417","15.251","0.002","10.6393","0.0016","19.017","0.003","90","","90","","90","","3085.7","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0562","0.0421","","","0.1342","0.1537","","","","","","1.001","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514418","19.26","0.004","6.4425","0.0014","20.274","0.005","90","","100.533","0.004","90","","2473.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C120 H88 N24 O16 -","8","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0704","0.045","","","0.1361","0.1621","","","","","","0.998","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514419","16.093","0.0013","9.8036","0.0006","6.9586","0.0006","90","","93.02","0.002","90","","1096.33","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 I N O -","- C12 H10 I N O -","- C48 H40 I4 N4 O4 -","4","1","","Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou","Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity","ACS Catalysis","2019","9","6","5562","","10.1021/acscatal.9b01535","","x-ray","0.71073","MoKα","","0.0258","0.0253","","","0.0686","0.0692","","","","","","1.108","","","","has coordinates","223179","2020-10-21","18:00:00",""
"4514420","10.9656","0.0006","11.9509","0.0006","38.4007","0.0019","90","","90","","90","","5032.4","0.4","100","","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H60 Cl2 N2 P2 Ru -","- C59 H60 Cl2 N2 P2 Ru -","- C236 H240 Cl8 N8 P8 Ru4 -","4","1","","Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou","Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity","ACS Catalysis","2019","9","6","5562","","10.1021/acscatal.9b01535","","x-ray","0.71073","MoKα","","0.0253","0.0245","","","0.0583","0.0586","","","","","","1.096","","","","has coordinates","223179","2020-10-21","18:00:00",""
"4514434","6.44696","0.00018","6.98494","0.00019","23.6748","0.0006","90","","90","","90","","1066.11","0.05","140","0.1","140","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Park, Sung Hwan; Wang, Shou-Guo; Cramer, Nicolai","Enantioselective Ruthenium(II)-Catalyzed Access to Benzonorcaradienes by Coupling of Oxabenzonorbornadienes and Alkynes","ACS Catalysis","2019","","","10226","","10.1021/acscatal.9b03858","","x-ray","1.54184","CuKα","","0.0266","0.0262","","","0.0698","0.0702","","","","","","1.076","","","","has coordinates","219536","2020-10-21","18:00:00",""
"4514435","5.101","0.0005","15.6195","0.0014","23.695","0.002","90","","90","","90","","1887.9","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 F O2 S -","- C24 H19 F O2 S -","- C96 H76 F4 O8 S4 -","4","1","","Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li","Rh(I)‒Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism","ACS Catalysis","2019","","","10477","","10.1021/acscatal.9b03640","","","0.71073","MoKα","","0.1417","0.0942","","","0.211","0.2387","","","","","","1.077","","","","has coordinates","219537","2020-10-21","18:00:00",""
"4514436","9.7166","0.0008","31.009","0.003","16.0484","0.0014","90","","97.583","0.001","90","","4793.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br F O2 S -","- C16 H14 Br F O2 S -","- C192 H168 Br12 F12 O24 S12 -","12","3","","Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li","Rh(I)‒Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism","ACS Catalysis","2019","","","10477","","10.1021/acscatal.9b03640","","","0.71073","MoKα","","0.1724","0.0513","","","0.0848","0.0988","","","","","","1.012","","","","has coordinates,has disorder","219538","2020-10-21","18:00:00",""
"4514437","9.4145","0.0006","16.7722","0.001","20.1088","0.0011","90","","90","","90","","3175.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B10 N O -","- C10 H19 B10 N O -","- C80 H152 B80 N8 O8 -","8","1","","Baek, Yonghyeon; Kim, Suhui; Son, Jeong-Yu; Lee, Kooyeon; Kim, Dongwook; Lee, Phil Ho","Rhodium-Catalyzed Amidation of the Cage B(4)‒H Bond in o-Carboranes with Dioxazolones by Carboxylic Acid-Assisted B(4)‒H Bond Activation","ACS Catalysis","2019","","","10418","","10.1021/acscatal.9b03380","","","0.71073","MoKα","","0.0979","0.054","","","0.1225","0.1445","","","","","","1.066","","","","has coordinates","219539","2020-10-21","18:00:00",""
"4514438","11.5032","0.0011","10.3652","0.001","12.7281","0.0012","90","","102.844","0.0014","90","","1479.6","0.2","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael","H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios","ACS Catalysis","2019","","","10294","","10.1021/acscatal.9b03678","","","0.71073","MoKα","","0.0968","0.0791","","","0.2205","0.2412","","","","","","1.057","","","","has coordinates","219540","2020-10-21","18:00:00",""
"4514439","11.3195","0.0011","10.3547","0.001","12.7097","0.0012","90","","101.868","0.0015","90","","1457.9","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael","H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios","ACS Catalysis","2019","","","10294","","10.1021/acscatal.9b03678","","","0.71073","MoKα","","0.0724","0.0509","","","0.1054","0.1153","","","","","","1.025","","","","has coordinates,has disorder","219541","2020-10-21","18:00:00",""
"4514611","6.264","0.002","9.621","0.004","11.639","0.004","91.385","0.006","96.47","0.006","100.453","0.006","684.7","0.4","150.15","","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","1","1","","Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen","Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes","ACS Catalysis","2019","9","10","9110","","10.1021/acscatal.9b02623","","","0.71073","MoKα","","0.0716","0.0564","","","0.1388","0.1493","","","","","","1.014","","","","has coordinates","219796","2020-10-21","18:00:00",""
"4514612","15.155","0.002","17.531","0.003","22.268","0.003","90","","90","","90","","5916.2","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H63 Ir N2 O6 P2 -","- C72 H63 Ir N2 O6 P2 -","- C288 H252 Ir4 N8 O24 P8 -","4","1","","Kim, Seung Wook; Meyer, Cole C.; Mai, Binh Khanh; Liu, Peng; Krische, Michael J.","Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study","ACS Catalysis","2019","9","10","9158","","10.1021/acscatal.9b03695","","","0.71073","MoKα","","0.0261","0.0215","","","0.0353","0.0357","","","","","","1.045","","","","has coordinates,has disorder","219797","2020-10-21","18:00:00",""
"4514613","11.8365","0.0003","12.8133","0.0004","13.5157","0.0004","90","","90","","90","","2049.85","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Whyte, Andrew; Mirabi, Bijan; Torelli, Alexa; Prieto, Liher; Bajohr, Jonathan; Lautens, Mark","Asymmetric Synthesis of Boryl-Functionalized Cyclobutanols","ACS Catalysis","2019","9","10","9253","","10.1021/acscatal.9b03216","","","1.54178","CuKα","","0.0274","0.0269","","","0.0678","0.0685","","","","","","1.047","","","","has coordinates","219798","2020-10-21","18:00:00",""
"4514614","9.6165","0.0014","11.7307","0.0019","12.572","0.0018","93.33","0.005","100.541","0.005","92.151","0.006","1390.3","0.4","170","2","169.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br F2 N O -","- C14 H14 Br F2 N O -","- C56 H56 Br4 F8 N4 O4 -","4","2","","Chen, Yuanjin; Li, Liangkui; He, Xiao; Li, Zhiping","Four-Component Reactions for the Synthesis of Perfluoroalkyl Isoxazoles","ACS Catalysis","2019","9","10","9098","","10.1021/acscatal.9b03189","","","0.71073","MoKα","","0.1684","0.0978","","","0.2424","0.2857","","","","","","1.034","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514615","22.1057","0.0008","22.1057","0.0008","6.7305","0.0003","90","","90","","120","","2848.31","0.19","150","","150","","","","","","","","","5","P 65","P 65","170","","","","- C20 H17 N3 O Pd -","- C20 H17 N3 O Pd -","- C120 H102 N18 O6 Pd6 -","6","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0526","0.0425","","","0.081","0.0878","","","","","","1.051","","","","has coordinates","219801","2020-10-21","18:00:00",""
"4514616","9.6348","0.0003","10.7198","0.0003","11.5837","0.0003","105.639","0.002","103.125","0.002","104.695","0.003","1056.88","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 N3 O Pd -","- C23 N3 O Pd -","- C46 N6 O2 Pd2 -","2","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0505","0.0426","","","0.1244","0.1391","","","","","","1.224","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514617","8.8691","0.0005","10.1304","0.0006","12.2386","0.0008","105.617","0.005","100.765","0.005","93.916","0.005","1032.17","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N2 O2 -","- C24 H25 N2 O2 -","- C48 H50 N4 O4 -","2","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0938","0.0587","","","0.1417","0.1834","","","","","","1.066","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4514618","12.2416","0.0007","20.4922","0.0011","7.9382","0.0004","90","","91.862","0.005","90","","1990.3","0.19","100","","100","","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 I N O2 S -","- C20 H26 I N O2 S -","- C80 H104 I4 N4 O8 S4 -","4","1","","Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A.","A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis","ACS Catalysis","2019","9","10","9568","","10.1021/acscatal.9b03190","","","0.6889","Synchrotron","","0.1421","0.0861","","0.263","0.2199","0.263","","","","","","0.99","","","","has coordinates","219804","2020-10-21","18:00:00",""
"4514619","6.30332","0.00004","11.85008","0.00009","28.71209","0.00018","90","","90","","90","","2144.65","0.03","100","","100","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 I O -","- C24 H35 I O -","- C96 H140 I4 O4 -","4","1","","Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A.","A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis","ACS Catalysis","2019","9","10","9568","","10.1021/acscatal.9b03190","","","0.6889","Synchrotron","","0.0402","0.0367","","0.0967","0.0948","0.0967","","","","","","0.9998","","","","has coordinates","219804","2020-10-21","18:00:00",""
"4514620","10.2291","0.0006","13.3412","0.0007","13.527","0.0007","87.464","0.002","88.582","0.002","80.599","0.002","1819.14","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 B O2 -","- C21 H25 B O2 -","- C84 H100 B4 O8 -","4","2","","Léonard, Nadia G.; Palmer, W. Neil; Friedfeld, Max R.; Bezdek, Máté J.; Chirik, Paul J.","Remote, Diastereoselective Cobalt-Catalyzed Alkene Isomerization‒Hydroboration: Access to Stereodefined 1,3-Difunctionalized Indanes","ACS Catalysis","2019","9","10","9034","","10.1021/acscatal.9b03444","","","1.54178","CuKα","","0.0403","0.0393","","","0.1042","0.1053","","","","","","1.044","","","","has coordinates","219805","2020-10-21","18:00:00",""
"4514621","11.4615","0.0014","5.5002","0.0006","12.6887","0.0013","90","","105.131","0.012","90","","772.17","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Yang, Hui; Wei, Guo; Jiang, Zhiyong","Access to Isoxazolidines through Visible-Light-Induced Difunctionalization of Alkenes","ACS Catalysis","2019","9","10","9599","","10.1021/acscatal.9b03567","","x-ray","1.54184","CuKα","","0.051","0.04","","","0.0923","0.1018","","","","","","1.081","","","","has coordinates,has disorder","219806","2020-10-21","18:00:00",""
"4514622","17.95158","0.00009","10.14969","0.00005","23.05206","0.00013","90","","98.418","0.0005","90","","4154.9","0.04","99.96","0.1","99.96","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H57 F6 N5 O6 -","- C44 H57 F6 N5 O6 -","- C176 H228 F24 N20 O24 -","4","0.5","","Zhang, Yunfei; Jermaks, Janis; MacMillan, Samantha N.; Lambert, Tristan H.","Synthesis of 2H-Chromenes via Hydrazine-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis","ACS Catalysis","2019","9","10","9259","","10.1021/acscatal.9b03656","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0874","0.0879","","","","","","1.039","","","","has coordinates,has disorder","219807","2020-10-21","18:00:00",""
"4514623","15.492","0.005","24.393","0.005","18.535","0.005","90","","90","","90","","7004","3","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","ZCII_74","ZCII_74","","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C224 H368 Cl16 F24 Ir8 O40 P16 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0787","0.0689","","","0.1401","0.1446","","","","","","1.203","","","","has coordinates,has disorder","219808","2020-10-21","18:00:00",""
"4514624","23.1713","0.0011","14.6301","0.0007","24.6604","0.0011","90","","90","","90","","8359.8","0.7","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H43 F3 O4 P4 Ru S -","- C44 H43 F3 O4 P4 Ru S -","- C352 H344 F24 O32 P32 Ru8 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0482","0.0331","","","0.0606","0.0661","","","","","","1.05","","","","has coordinates","219809","2020-10-21","18:00:00",""
"4514625","17.445","0.003","19.175","0.003","28.449","0.004","90","","95.41","0.009","90","","9474","3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 F6 N O6 P4 Ru S2 -","- C46 H45 F6 N O6 P4 Ru S2 -","- C368 H360 F48 N8 O48 P32 Ru8 S16 -","8","2","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0587","0.0368","","","0.0836","0.0938","","","","","","1.011","","","","has coordinates","219810","2020-10-21","18:00:00",""
"4514626","16.5246","0.0005","12.6284","0.0004","17.54","0.0005","90","","116.553","0.001","90","","3274.16","0.17","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cl2 F3 Ir O4 P2 S -","- C27 H46 Cl2 F3 Ir O4 P2 S -","- C108 H184 Cl8 F12 Ir4 O16 P8 S4 -","4","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","x-ray","0.71073","MoKα","","0.0235","0.0195","","","0.0411","0.0422","","","","","","1.051","","","","has coordinates","219811","2020-10-21","18:00:00",""
"4514627","20.5001","0.0011","9.8972","0.0005","14.0168","0.0008","90","","114.293","0.002","90","","2592.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C120 H96 O16 S8 -","8","1","","Liu, Can; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun","RhCl3·3H2O-Catalyzed Ligand-Enabled Highly Regioselective Thiolation of Acrylic Acids","ACS Catalysis","2019","9","10","8910","","10.1021/acscatal.9b02982","","","0.71073","MoKα","","0.052","0.0367","","","0.0853","0.0975","","","","","","1.051","","","","has coordinates","219812","2020-10-21","18:00:00",""
"4514628","8.7768","0.0007","9.4553","0.0006","11.5011","0.001","75.998","0.005","71.713","0.004","79.448","0.005","873.34","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F6 O9 S2 U -","- C9 H6 F6 O9 S2 U -","- C18 H12 F12 O18 S4 U2 -","2","1","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0353","0.0303","","","0.0689","0.0706","","","","","","1.053","","","","has coordinates","219813","2020-10-21","18:00:00",""
"4514629","5.6883","0.0004","12.7612","0.0011","16.5764","0.0015","102.634","0.004","94.632","0.005","96.374","0.005","1160.02","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 F12 O20 S4 U2 -","- C32 H24 F12 O20 S4 U2 -","- C32 H24 F12 O20 S4 U2 -","1","0.5","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0274","0.0248","","","0.0544","0.0552","","","","","","1.045","","","","has coordinates","219813","2020-10-21","18:00:00",""
"4514630","9.2981","0.0004","22.059","0.0017","18.3163","0.0012","90","","102.709","0.004","90","","3664.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 N3 O11 S2 U -","- C29 H33 F6 N3 O11 S2 U -","- C116 H132 F24 N12 O44 S8 U4 -","4","1","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0576","0.0367","","","0.082","0.0882","","","","","","1.048","","","","has coordinates,has disorder","219813","2020-10-21","18:00:00",""
"4514631","6.9609","0.0002","9.0105","0.0002","32.0299","0.0007","90","","90","","90","","2008.95","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Ma, Teng; Chen, Yate; Li, Yuxiu; Ping, Yuanyuan; Kong, Wangqing","Nickel-Catalyzed Enantioselective Reductive Aryl Fluoroalkenylation of Alkenes","ACS Catalysis","2019","9","10","9127","","10.1021/acscatal.9b03172","","","1.54178","CuKα","","0.0419","0.039","","","0.1009","0.1075","","","","","","1.143","","","","has coordinates","219814","2020-10-21","18:00:00",""
"4514632","12.5451","0.0002","25.5594","0.0004","15.6511","0.0003","90","","110.747","0.002","90","","4693.02","0.15","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H43.5 O4.75 -","- C24 H43.25 O4.75 -","- C192 H346 O38 -","8","4","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0522","0.0492","","","0.1236","0.1257","","","","","","1.099","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514633","13.3181","0.0012","6.9639","0.0004","17.0635","0.0015","90","","90.091","0.008","90","","1582.6","0.2","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0978","0.0588","","","0.1064","0.1226","","","","","","1.055","","","","has coordinates","219816","2020-10-21","18:00:00",""
"4514634","18.1884","0.0004","10.5558","0.0002","25.3027","0.0007","90","","108.216","0.003","90","","4614.5","0.2","98","2","98","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N -","- C21 H17 N -","- C252 H204 N12 -","12","1.5","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0459","0.0431","","","0.1106","0.1129","","","","","","1.053","","","","has coordinates","219817","2020-10-21","18:00:00",""
"4514635","8.8592","0.0003","22.189","0.0005","8.984","0.0003","90","","114.717","0.004","90","","1604.25","0.1","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N -","- C22 H19 N -","- C88 H76 N4 -","4","1","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0554","0.0548","","","0.1185","0.1189","","","","","","1.058","","","","has coordinates,has disorder","219818","2020-10-21","18:00:00",""
"4514636","13.151","0.005","15.965","0.006","21.319","0.008","90","","91.921","0.006","90","","4474","3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H57 Cl Ni O2 P2 -","- C51 H57 Cl Ni O2 P2 -","- C204 H228 Cl4 Ni4 O8 P8 -","4","1","","McGuire, Ryan T.; Paffile, Julia F. J.; Zhou, Yuqiao; Stradiotto, Mark","Nickel-Catalyzed C‒N Cross-Coupling of Ammonia, (Hetero)anilines, and Indoles with Activated (Hetero)aryl Chlorides Enabled by Ligand Design","ACS Catalysis","2019","9","10","9292","","10.1021/acscatal.9b03715","","","0.71073","MoKα","","0.056","0.0421","","","0.1105","0.1206","","","","","","1.047","","","","has coordinates,has disorder","219819","2020-10-21","18:00:00",""
"4514637","22.2298","0.001","14.0027","0.0006","23.0551","0.0011","90","","102.788","0.001","90","","6998.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C159 H188 Cl4 N12 Rh4 -","- C159 H188 Cl4 N12 Rh4 -","- C318 H376 Cl8 N24 Rh8 -","2","0.5","","Azpíroz, Ramón; Di Giuseppe, Andrea; Urriolabeitia, Asier; Passarelli, Vincenzo; Polo, Victor; Pérez-Torrente, Jesús J.; Oro, Luis A.; Castarlenas, Ricardo","Hydride‒Rhodium(III)-N-Heterocyclic Carbene Catalyst for Tandem Alkylation/Alkenylation via C‒H Activation","ACS Catalysis","2019","9","10","9372","","10.1021/acscatal.9b01233","","","0.71073","MoKα","","0.0458","0.0335","","","0.0698","0.0752","","","","","","1.065","","","","has coordinates,has disorder","219820","2020-10-21","18:00:00",""
"4514638","11.5035","0.0002","10.7831","0.0002","13.3149","0.0002","90","","110.777","0.002","90","","1544.22","0.05","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H36 Fe N O3 P S -","- C34 H36 Fe N O3 P S -","- C68 H72 Fe2 N2 O6 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.073","0.0657","","","0.1623","0.1673","","","","","","1.036","","","","has coordinates","219821","2020-10-21","18:00:00",""
"4514639","8.8534","0.0001","12.6813","0.0001","18.9601","0.0002","90","","90","","90","","2128.7","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B O3 -","- C24 H29 B O3 -","- C96 H116 B4 O12 -","4","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.0321","0.0316","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates","219822","2020-10-21","18:00:00",""
"4514640","10.5036","0.0004","11.7796","0.0004","15.6619","0.0006","90","","106.748","0.004","90","","1855.62","0.12","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.074","0.0591","","","0.1464","0.1567","","","","","","0.998","","","","has coordinates","219823","2020-10-21","18:00:00",""
"4514641","19.9451","0.0016","11.5613","0.001","20.0794","0.0015","90","","94.241","0.002","90","","4617.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 N4 O4 Rh2 -","- C50 H60 N4 O4 Rh2 -","- C200 H240 N16 O16 Rh8 -","4","1","","Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent","Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period","ACS Catalysis","2019","9","8","7457","","10.1021/acscatal.9b01480","","","0.71073","MoKα","","0.1007","0.0431","","","0.0847","0.1019","","","","","","1.006","","","","has coordinates,has disorder","219824","2020-10-21","18:00:00",""
"4514642","23.889","0.002","9.9822","0.001","19.624","0.002","90","","110.013","0.003","90","","4397.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 F20 N4 O5 Rh2 -","- C40 H26 F20 N4 O5 Rh2 -","- C160 H104 F80 N16 O20 Rh8 -","4","1","","Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent","Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period","ACS Catalysis","2019","9","8","7457","","10.1021/acscatal.9b01480","","","0.71073","MoKα","","0.1234","0.0526","","","0.1158","0.1519","","","","","","1.048","","","","has coordinates","219825","2020-10-21","18:00:00",""
"4514643","24.2076","0.0004","27.078","0.0003","21.532","0.0003","90","","106.288","0.002","90","","13547.6","0.4","103","1","103","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C103 H224 Ni4 O32 Si8 -","- C103 H224 Ni4 O32 Si8 -","- C412 H896 Ni16 O128 Si32 -","4","1","","Moroz, Ilia B.; Lund, Alicia; Kaushik, Monu; Severy, Laurent; Gajan, David; Fedorov, Alexey; Lesage, Anne; Copéret, Christophe","Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites","ACS Catalysis","2019","9","8","7476","","10.1021/acscatal.9b01903","","x-ray","0.71073","MoKα","","0.0764","0.0443","","","0.0847","0.0948","","","","","","1.025","","","","has coordinates,has disorder","219826","2020-10-21","18:00:00",""
"4514644","17.4715","0.0002","10.5472","0.0001","10.9763","0.0001","90","","90","","90","","2022.66","0.04","123","0.1","123","0.1","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C48 H60 Co Li N2 O -","- C48 H60 Co Li N2 O -","- C96 H120 Co2 Li2 N4 O2 -","2","0.5","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","x-ray","1.54184","CuKα","","0.0317","0.0307","","","0.0791","0.0801","","","","","","1.057","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514645","12.3103","0.0003","12.6855","0.0003","13.5302","0.0004","69.519","0.002","77.844","0.002","79.251","0.002","1920.22","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 Co N2 -","- C45 H53 Co N2 -","- C90 H106 Co2 N4 -","2","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","1.54184","CuKα","","0.0335","0.032","","","0.0814","0.0825","","","","","","1.038","","","","has coordinates","219827","2020-10-21","18:00:00",""
"4514646","27.0266","0.0007","12.0329","0.0002","22.8033","0.0006","90","","113.047","0.003","90","","6823.9","0.3","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Co N2 -","- C36 H40 Br2 Co N2 -","- C288 H320 Br16 Co8 N16 -","8","2","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","x-ray","1.54184","CuKα","","0.0892","0.0857","","","0.236","0.2404","","","","","","1.057","","","","has coordinates","219827","2020-10-21","18:00:00",""
"4514648","25.0102","0.0002","21.4146","0.0002","30.8908","0.0003","90","","90","","90","","16544.6","0.3","138.2","0.6","138.2","0.6","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H121 Co2 Li N4 O4.5 -","- C88 H117 Co2 Li N4 O4 -","- C704 H936 Co16 Li8 N32 O32 -","8","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","1.54184","CuKα","","0.069","0.0623","","","0.1797","0.1864","","","","","","1.02","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514649","21.4917","0.0016","13.0279","0.001","29.987","0.002","90","","101.086","0.001","90","","8239.4","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H123 Co2 Li N4 O5 -","- C92 H123 Co2 Li N4 O5 -","- C368 H492 Co8 Li4 N16 O20 -","4","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","0.71073","MoKα","","0.065","0.0432","","","0.0994","0.11","","","","","","1.03","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514650","10.551","0.002","12.062","0.002","18.905","0.004","82.63","0.03","81.72","0.03","66.18","0.03","2171.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 B Br N2 P4 -","- C48 H44 B Br N2 P4 -","- C96 H88 B2 Br2 N4 P8 -","2","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0465","0.0391","","","0.1087","0.1249","","","","","","1.106","","","","has coordinates","219828","2020-10-21","18:00:00",""
"4514651","11.496","0.002","12.374","0.003","20.858","0.004","97.02","0.03","94.81","0.03","111.71","0.03","2709","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H51 B Br Cl5 Fe O2 P4 -","- C54.5 H51 B Br Cl5 Fe O2 P4 -","- C109 H102 B2 Br2 Cl10 Fe2 O4 P8 -","2","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.1184","0.0864","","","0.2293","0.2538","","","","","","1.011","","","","has coordinates,has disorder","219829","2020-10-21","18:00:00",""
"4514652","12.7253","0.0009","10.5434","0.0007","21.3482","0.0014","90","","102.389","0.002","90","","2797.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 B Br Fe N2 O2 P4 -","- C18 H44 B Br Fe N2 O2 P4 -","- C72 H176 B4 Br4 Fe4 N8 O8 P16 -","4","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0634","0.0433","","","0.1033","0.1147","","","","","","1.032","","","","has coordinates,has disorder","219830","2020-10-21","18:00:00",""
"4514653","14.623","0.003","15.131","0.003","12.874","0.003","90","","90","","90","","2848.5","1","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H43 B Br Fe N2 O3 P4 -","- C19 H43 B Br Fe N2 O3 P4 -","- C76 H172 B4 Br4 Fe4 N8 O12 P16 -","4","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0736","0.0649","","","0.1729","0.1786","","","","","","1.078","","","","has coordinates,has disorder","219831","2020-10-21","18:00:00",""
"4514654","9.7666","0.0006","7.7835","0.0005","22.574","0.0015","90","","94.062","0.002","90","","1711.73","0.19","120","2","120","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","","Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng","Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones","ACS Catalysis","2019","9","8","6738","","10.1021/acscatal.9b01347","","","0.71073","MoKα","","0.0454","0.038","","","0.1409","0.1505","","","","","","1.211","","","","has coordinates","219832","2020-10-21","18:00:00",""
"4514655","8.1162","0.0007","11.0214","0.0009","10.5496","0.0008","90","","91.17","0.002","90","","943.48","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N O6 S -","- C18 H23 N O6 S -","- C36 H46 N2 O12 S2 -","2","1","","Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng","Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones","ACS Catalysis","2019","9","8","6738","","10.1021/acscatal.9b01347","","","0.71073","MoKα","","0.1036","0.0502","","","0.0886","0.1054","","","","","","1.024","","","","has coordinates","219833","2020-10-21","18:00:00",""
"4514656","13.2477","0.0009","13.2477","0.0009","32.623","0.002","90","","90","","90","","5725.4","0.7","100","2","100","","","","","","","","","6","P 41","P 4w","76","","","","- C27 H48 Cl N2 P Ru -","- C27 H48 Cl N2 P Ru -","- C216 H384 Cl8 N16 P8 Ru8 -","8","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0319","0.0309","","","0.069","0.0697","","","","","","1.021","","","","has coordinates","219834","2020-10-21","18:00:00",""
"4514657","22.5581","0.0007","12.7798","0.0004","22.1335","0.0007","90","","113.18","0.001","90","","5865.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 F9 N2 P2 Ru -","- C24 H39 F9 N2 P2 Ru -","- C192 H312 F72 N16 P16 Ru8 -","8","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0468","0.0372","","","0.0948","0.104","","","","","","1.029","","","","has coordinates","219835","2020-10-21","18:00:00",""
"4514658","11.6853","0.0006","20.7278","0.001","21.1082","0.001","114.576","0.002","96.847","0.001","99.355","0.001","4487.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Cl4 F12 Ru4 -","- C40 H48 Cl4 F12 Ru4 -","- C160 H192 Cl16 F48 Ru16 -","4","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","x-ray","0.71073","MoKα","","0.0397","0.0285","","","0.0601","0.0654","","","","","","1.042","","","","has coordinates","219836","2020-10-21","18:00:00",""
"4514659","13.3641","0.0006","15.0206","0.0007","10.9602","0.0006","90","","93.975","0.002","90","","2194.82","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Cl N2 P Ru -","- C20 H34 Cl N2 P Ru -","- C80 H136 Cl4 N8 P4 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0773","0.0501","","","0.1004","0.112","","","","","","1.034","","","","has coordinates,has disorder","219837","2020-10-21","18:00:00",""
"4514660","22.7385","0.0008","13.1551","0.0005","9.5634","0.0003","90","","90","","90","","2860.67","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","ep371-3","","","- C24 H42 F6 N2 P2 Ru -","- C24 H42 F6 N2 P2 Ru -","- C96 H168 F24 N8 P8 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0702","0.0675","","","0.1755","0.1768","","","","","","1.218","","","","has coordinates","219838","2020-10-21","18:00:00",""
"4514661","13.915","0.003","14.954","0.004","10.922","0.003","90","","95.212","0.006","90","","2263.3","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl F3 N2 P Ru -","- C20 H31 Cl F3 N2 P Ru -","- C80 H124 Cl4 F12 N8 P4 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0635","0.0386","","","0.0672","0.0757","","","","","","1.013","","","","has coordinates,has disorder","219839","2020-10-21","18:00:00",""
"4514662","5.7084","0.0001","14.6112","0.0002","15.7856","0.0002","72.801","0.001","87.877","0.001","87.344","0.001","1256.02","0.03","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","","","","- C24.5 H0.5 Cl1.5 N2 O2 S3 -","- C24.5 H24.5 Cl1.5 N2 O2 S3 -","- C49 H49 Cl3 N4 O4 S6 -","2","2","","Liang, Yaoyu; Zhao, Xiaodan","Enantioselective Construction of Chiral Sulfides via Catalytic Electrophilic Azidothiolation and Oxythiolation of N-Allyl Sulfonamides","ACS Catalysis","2019","9","8","6896","","10.1021/acscatal.9b01900","","x-ray","1.54184","CuKα","","0.0576","0.0548","","","0.152","0.1558","","","","","","1.083","","","","has coordinates","219841","2020-10-21","18:00:00",""
"4514663","11.986","0.0007","9.3819","0.0006","21.7658","0.0013","90","","90","","90","","2447.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Fe N5 O7 S2 -","- C19 H32 Fe N5 O7 S2 -","- C76 H128 Fe4 N20 O28 S8 -","4","1","","Warner, Genoa R.; Somasundar, Yogesh; Jansen, Kyle C.; Kaaret, Evan Z.; Weng, Cindy; Burton, Abigail E.; Mills, Matthew R.; Shen, Longzhu Q.; Ryabov, Alexander D.; Pros, Gabrielle; Pintauer, Tomislav; Biswas, Saborni; Hendrich, Michael P.; Taylor, Julia A.; Vom Saal, Frederick S.; Collins, Terrence J.","Bioinspired, Multidisciplinary, Iterative Catalyst Design Creates the Highest Performance Peroxidase Mimics and the Field of Sustainable Ultradilute Oxidation Catalysis (SUDOC)","ACS Catalysis","2019","9","8","7023","","10.1021/acscatal.9b01409","","","0.71073","MoKα","","0.0853","0.0415","","","0.0992","0.1206","","","","","","0.627","","","","has coordinates","219842","2020-10-21","18:00:00",""
"4514664","10.3039","0.0015","11.9306","0.0018","12.985","0.002","90","","90.816","0.004","90","","1596.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","0.71073","MoKα","","0.0564","0.042","","","0.1247","0.1327","","","","","","1.278","","","","has coordinates","219843","2020-10-21","18:00:00",""
"4514665","10.2763","0.0006","11.8965","0.0006","12.9403","0.0007","90","","90.785","0.003","90","","1581.83","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","1.54178","CuKα","","0.0604","0.0561","","","0.1374","0.1411","","","","","","1.124","","","","has coordinates","219844","2020-10-21","18:00:00",""
"4514666","16.9269","0.0005","16.7619","0.0005","8.8583","0.0003","90","","91.738","0.001","90","","2512.18","0.14","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","1","0.25","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","1.54184","CuKα","","0.0317","0.0315","","","0.0811","0.0813","","","","","","1.071","","","","has coordinates","219845","2020-10-21","18:00:00",""
"4514667","9.89","0.003","9.938","0.003","18.564","0.005","90","","101.954","0.004","90","","1785","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 Br F3 N2 O3 -","- C18 H14 Br F3 N2 O3 -","- C72 H56 Br4 F12 N8 O12 -","4","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0449","0.0364","","","0.075","0.0792","","","","","","0.893","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514668","6.8271","0.001","16.06","0.002","29.396","0.004","90","","90","","90","","3223.1","0.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 Br3 N2 O3 -","- C38 H27 Br3 N2 O3 -","- C152 H108 Br12 N8 O12 -","4","1","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0745","0.049","","","0.1245","0.1481","","","","","","0.816","","","","has coordinates","219847","2020-10-21","18:00:00",""
"4514669","9.7248","0.0016","9.7248","","48.32","0.008","90","","90","","90","","4569.7","1.1","123","2","123","2","","","","","","","","6","P 41","P 4w","76","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C200 H200 Br8 N16 O16 S8 -","8","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.1232","0.0595","","","0.0818","0.1021","","","","","","0.971","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514670","15.8408","0.0008","13.142","0.0007","16.3982","0.0009","90","","98.987","0.002","90","","3371.9","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C176 H160 O16 -","8","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0411","0.0359","","","0.0917","0.096","","","","","","1.028","","","","has coordinates","219849","2020-10-21","18:00:00",""
"4514671","15.6269","0.001","10.8792","0.0007","22.0724","0.0015","90","","100.839","0.002","90","","3685.5","0.4","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C200 H152 N8 O16 -","8","2","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0544","0.0386","","","0.0985","0.1086","","","","","","1.033","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514672","8.2853","0.0005","31.984","0.0018","19.542","0.0011","90","","93.546","0.003","90","","5168.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O -","- C18 H11 N O -","- C288 H176 N16 O16 -","16","4","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0723","0.0616","","","0.1554","0.1615","","","","","","1.138","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514673","9.9466","0.0006","17.8664","0.001","9.4521","0.0005","90","","100.253","0.003","90","","1652.91","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0644","0.0424","","","0.1033","0.1177","","","","","","1.03","","","","has coordinates","219852","2020-10-21","18:00:00",""
"4514674","7.861","0.002","9.282","0.003","9.934","0.003","83.675","0.009","72.702","0.009","85.815","0.009","687.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O -","- C19 H13 N O -","- C38 H26 N2 O2 -","2","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.049","0.0359","","","0.0888","0.0959","","","","","","1.031","","","","has coordinates","219853","2020-10-21","18:00:00",""
"4514675","24.6109","0.0019","12.239","0.0008","14.7299","0.001","90","","98.22","0.003","90","","4391.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 O3 -","- C30 H22 O3 -","- C240 H176 O24 -","8","2","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0825","0.0556","","","0.1356","0.1511","","","","","","1.056","","","","has coordinates","219854","2020-10-21","18:00:00",""
"4514676","14.1394","0.0003","15.0162","0.0005","28.9031","0.0009","77.688","0.002","87.174","0.001","78.469","0.001","5874.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H55 B F4 N3 O5 P2 Rh -","- C54 H55 B F4 N3 O5 P2 Rh -","- C216 H220 B4 F16 N12 O20 P8 Rh4 -","4","2","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.051","0.0388","","","0.0961","0.1012","","","","","","1.021","","","","has coordinates","219855","2020-10-21","18:00:00",""
"4514677","12.6207","0.0004","13.6039","0.0004","15.2008","0.0006","72.598","0.002","83.301","0.001","76.784","0.002","2421.15","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H49 B F4 N5 O5 P2 Rh -","- C50 H49 B F4 N5 O5 P2 Rh -","- C100 H98 B2 F8 N10 O10 P4 Rh2 -","2","1","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.0549","0.0342","","","0.0731","0.0796","","","","","","1.014","","","","has coordinates","219855","2020-10-21","18:00:00",""
"4514678","14.1446","0.0005","25.4077","0.0011","15.6384","0.0005","90","","94.839","0.002","90","","5600.1","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H86 B2 F8 N6 O10 P4 Rh2 -","- C92 H86 B2 F8 N6 O10 P4 Rh2 -","- C184 H172 B4 F16 N12 O20 P8 Rh4 -","2","0.5","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.0834","0.0573","","","0.1435","0.1574","","","","","","1.05","","","","has coordinates","219855","2020-10-21","18:00:00",""
"4514679","11.3502","0.0004","7.45","0.0002","20.6376","0.0006","90","","91.376","0.003","90","","1744.59","0.09","100.03","0.15","100.03","0.15","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 B Br N O2 -","- C17 H21 B Br N O2 -","- C68 H84 B4 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0536","0.0407","","","0.0861","0.0894","","","","","","1.051","","","","has coordinates","219856","2020-10-21","18:00:00",""
"4514680","14.62776","0.00018","8.05742","0.0001","15.00218","0.00018","90","","97.0979","0.0012","90","","1754.64","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C80 H64 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","1.54184","CuKα","","0.0359","0.0322","","","0.0875","0.0942","","","","","","1.063","","","","has coordinates","219857","2020-10-21","18:00:00",""
"4514681","9.8268","0.0005","5.6439","0.0003","9.8652","0.0005","90","","99.353","0.005","90","","539.86","0.05","99.95","0.17","99.95","0.17","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 I0.96 N O -","- C11 H10 I0.96 N O -","- C22 H20 I1.92 N2 O2 -","2","1","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.2182","0.2365","","","","","","1.228","","","","has coordinates","219858","2020-10-21","18:00:00",""
"4514682","9.3121","0.0004","10.7025","0.0005","8.4772","0.0004","90","","97.201","0.004","90","","838.2","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O4 Pd -","- C14 H24 N2 O4 Pd -","- C28 H48 N4 O8 Pd2 -","2","0.5","","Feng, Wenhui; Wang, Tianyang; Liu, Dongzhi; Wang, Xiaotai; Dang, Yanfeng","Mechanism of the Palladium-Catalyzed C(sp3)‒H Arylation of Aliphatic Amines: Unraveling the Crucial Role of Silver(I) Additives","ACS Catalysis","2019","9","8","6672","","10.1021/acscatal.9b01412","","x-ray","1.54184","CuKα","","0.0591","0.0576","","","0.1638","0.168","","","","","","1.106","","","","has coordinates","219859","2020-10-21","18:00:00",""
"4514683","12.0088","0.0005","12.3492","0.0005","17.137","0.0007","101.431","0.001","106.142","0.001","105.372","0.001","2250.17","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","JZII104B","","","- C42 H35 F12 N11 P2 Pd2 -","- C42 H35 F12 N11 P2 Pd2 -","- C84 H70 F24 N22 P4 Pd4 -","2","1","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0363","0.0271","","","0.0632","0.0697","","","","","","1.068","","","","has coordinates,has disorder","219860","2020-10-21","18:00:00",""
"4514684","8.7896","0.0004","12.4079","0.0006","13.433","0.0007","108.517","0.001","105.407","0.001","103.424","0.002","1256.4","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","JZ-I-173B","","","- C25 H20 Cl F6 N4 O P Pd -","- C25 H20 Cl F6 N4 O P Pd -","- C50 H40 Cl2 F12 N8 O2 P2 Pd2 -","2","1","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0348","0.0283","","","0.0689","0.0722","","","","","","1.04","","","","has coordinates","219861","2020-10-21","18:00:00",""
"4514685","25.202","0.002","8.3844","0.0007","24.157","0.002","90","","108.454","0.0017","90","","4842","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","JZ-I-126B","","","- C45 H48 F12 N8 O3 P2 Pd2 -","- C45 H48 F12 N8 O3 P2 Pd2 -","- C180 H192 F48 N32 O12 P8 Pd8 -","4","0.5","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0467","0.0318","","","0.0748","0.0817","","","","","","1.07","","","","has coordinates,has disorder","219862","2020-10-21","18:00:00",""
"4514686","10.3636","0.0007","10.0648","0.0007","28.9197","0.0016","90","","99.7","0.006","90","","2973.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br F3 N3 O2 -","- C12 H11 Br F3 N3 O2 -","- C96 H88 Br8 F24 N24 O16 -","8","2","","Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An","Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines","ACS Catalysis","2019","9","5","4600","","10.1021/acscatal.9b00846","","","0.71073","MoKα","","0.1434","0.0748","","","0.1716","0.2088","","","","","","1.018","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4514687","17.29","0.03","4.519","0.007","20.77","0.03","90","","111.24","0.02","90","","1513","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl F3 N O2 -","- C15 H11 Cl F3 N O2 -","- C60 H44 Cl4 F12 N4 O8 -","4","1","","Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An","Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines","ACS Catalysis","2019","9","5","4600","","10.1021/acscatal.9b00846","","","0.71073","MoKα","","0.1772","0.0786","","","0.204","0.2682","","","","","","0.949","","","","has coordinates","219864","2020-10-21","18:00:00",""
"4514688","11.5593","0.0011","7.8828","0.0007","27.35","0.003","90","","98.043","0.001","90","","2467.6","0.4","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C136 H104 N8 -","4","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Visible-Light-Triggered Monofluoromethylation of Alkenes by Strongly Reducing 1,4-Bis(diphenylamino)naphthalene Photoredox Catalysis","ACS Catalysis","2019","9","5","4382","","10.1021/acscatal.9b00473","","","0.71073","MoKα","","0.0408","0.0319","","","0.073","0.0773","","","","","","1.006","","","","has coordinates","219865","2020-10-21","18:00:00",""
"4514689","9.0328","0.0003","9.506","0.0003","13.9771","0.0003","90.165","0.002","95.249","0.002","115.51","0.003","1077.42","0.06","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F3 N O5 S -","- C21 H20 F3 N O5 S -","- C42 H40 F6 N2 O10 S2 -","2","2","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0659","0.064","","","0.1717","0.1746","","","","","","1.04","","","","has coordinates","219866","2020-10-21","18:00:00",""
"4514690","9.2464","0.0003","10.0773","0.0004","23.4808","0.0009","90","","90","","90","","2187.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C96 H100 N12 O16 -","4","1","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0517","0.0499","","","0.1297","0.1327","","","","","","1.05","","","","has coordinates","219867","2020-10-21","18:00:00",""
"4514691","8.618","0.002","11.775","0.003","18.166","0.005","90","","103.293","0.003","90","","1794","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O -","- C25 H17 N O -","- C100 H68 N4 O4 -","4","1","","Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin","Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles","ACS Catalysis","2019","9","5","3906","","10.1021/acscatal.9b00470","","","0.71073","MoKα","","0.1023","0.0471","","","0.098","0.1226","","","","","","0.969","","","","has coordinates","219868","2020-10-21","18:00:00",""
"4514692","8.1125","0.0002","12.1517","0.0004","23.1044","0.0007","90","","90","","90","","2277.65","0.12","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N O -","- C31 H21 N O -","- C124 H84 N4 O4 -","4","1","","Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin","Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles","ACS Catalysis","2019","9","5","3906","","10.1021/acscatal.9b00470","","x-ray","1.54184","CuKα","","0.0541","0.044","","","0.1159","0.1371","","","","","","0.933","","","","has coordinates","219869","2020-10-21","18:00:00",""
"4514693","8.7123","0.0006","16.0813","0.0012","20.4271","0.0017","90","","90","","90","","2861.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N6 Ni O6 -","- C24 H46 N6 Ni O6 -","- C96 H184 N24 Ni4 O24 -","4","1","","Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni","Can Ni Complexes Behave as Molecular Water Oxidation Catalysts?","ACS Catalysis","2019","9","5","3936","","10.1021/acscatal.8b03953","","","0.71073","MoKα","","0.0602","0.0448","","","0.0985","0.1058","","","","","","1.028","","","","has coordinates","219870","2020-10-21","18:00:00",""
"4514694","55.552","0.006","6.2616","0.0008","15.8906","0.0017","90","","100.323","0.003","90","","5438","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H44 N6 Ni O9 -","- C21 H44 N6 Ni O9 -","- C168 H352 N48 Ni8 O72 -","8","1","","Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni","Can Ni Complexes Behave as Molecular Water Oxidation Catalysts?","ACS Catalysis","2019","9","5","3936","","10.1021/acscatal.8b03953","","","0.71073","MoKα","","0.1021","0.0677","","","0.1595","0.1819","","","","","","1.014","","","","has coordinates","219870","2020-10-21","18:00:00",""
"4514695","6.2208","0.0008","18.757","0.002","17.484","0.002","90","","93.268","0.003","90","","2036.8","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","1","","Han, Chunhua; Fu, Zhiyuan; Guo, Songjin; Fang, Xinxin; Lin, Aijun; Yao, Hequan","Palladium-Catalyzed Remote 1,n-Arylamination of Unactivated Terminal Alkenes","ACS Catalysis","2019","9","5","4196","","10.1021/acscatal.9b00688","","","0.71073","MoKα","","0.057","0.0419","","","0.1272","0.1436","","","","","","1.004","","","","has coordinates","219871","2020-10-21","18:00:00",""
"4514696","20.138","0.002","13.1828","0.0013","24.998","0.002","90","","106.912","0.0016","90","","6349.4","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 F7 N2 O4 P Pd S -","- C58 H84 F7 N2 O4 P Pd S -","- C232 H336 F28 N8 O16 P4 Pd4 S4 -","4","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Pd-Catalyzed C‒N Coupling Reactions Facilitated by Organic Bases: Mechanistic Investigation Leads to Enhanced Reactivity in the Arylation of Weakly Binding Amines","ACS Catalysis","2019","9","5","3822","","10.1021/acscatal.9b00981","","","0.71073","MoKα","","0.0793","0.0562","","","0.1448","0.1609","","","","","","1.028","","","","has coordinates,has disorder","219872","2020-10-21","18:00:00",""
"4514697","13.159","0.002","15.396","0.003","21.596","0.004","90.092","0.004","92.283","0.004","101.727","0.004","4280.3","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H73.5 P2 Ru S -","- C43 H73.5 P2 Ru S -","- C172 H294 P8 Ru4 S4 -","4","2","","Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes","ACS Catalysis","2019","9","5","4072","","10.1021/acscatal.8b05172","","","0.71073","MoKα","","0.1021","0.066","","","0.1492","0.1674","","","","","","1.031","","","","has coordinates,has disorder","219873","2020-10-21","18:00:00",""
"4514698","13.2907","0.0013","15.6689","0.0014","18.8836","0.0018","90","","105.176","0.0019","90","","3795.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 P2 Ru S -","- C38 H62 P2 Ru S -","- C152 H248 P8 Ru4 S4 -","4","1","","Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes","ACS Catalysis","2019","9","5","4072","","10.1021/acscatal.8b05172","","","0.71073","MoKα","","0.0942","0.067","","","0.1354","0.1462","","","","","","1.079","","","","has coordinates,has disorder","219874","2020-10-21","18:00:00",""
"4514699","9.4966","0.001","9.593","0.0008","17.63","0.003","101.894","0.006","96.481","0.006","102.236","0.004","1515.2","0.3","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Br1.02 Fe P3 -","- C30 H41 Br1.0251 Fe P3 -","- C60 H82 Br2.0502 Fe2 P6 -","2","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0272","0.0232","","","0.0557","0.0573","","","","","","1.061","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514700","17.626","0.002","10.7764","0.0008","16.1774","0.0019","90","","98.63","0.003","90","","3038","0.5","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Fe N4 P3 -","- C30 H41 Fe N4 P3 -","- C120 H164 Fe4 N16 P12 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0583","0.0385","","","0.1013","0.1167","","","","","","1.114","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514701","22.4451","0.0018","12.1053","0.0006","25.482","0.002","90","","101.904","0.004","90","","6774.7","0.8","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H106 B2 F48 Fe2 N8 P6 -","- C129 H106 B2 F48 Fe2 N8 P6 -","- C258 H212 B4 F96 Fe4 N16 P12 -","2","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","1.54178","","","0.1178","0.0967","","","0.2546","0.2736","","","","","","1.021","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514702","10.4864","0.0006","23.9154","0.0017","17.8619","0.001","90","","93.645","0.003","90","","4470.5","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 Fe K N2 O6 P3 -","- C42 H65 Fe K N2 O6 P3 -","- C168 H260 Fe4 K4 N8 O24 P12 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0682","0.046","","","0.0998","0.108","","","","","","1.062","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514703","25.9569","0.0013","17.0296","0.0009","12.1851","0.0006","90","","90","","90","","5386.2","0.5","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","P2PFeanion","","- C40 H61 Fe K N2 O4 P3 -","- C40 H61 Fe K N2 O4 P3 -","- C160 H244 Fe4 K4 N8 O16 P12 -","4","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.1162","0.1026","","","0.3059","0.3201","","","","","","1.123","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514704","14.6713","0.0013","16.6256","0.0009","18.7129","0.0012","90","","102.506","0.003","90","","4456.1","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H130 Fe2 K4 N4 O6 P6 -","- C84 H130 Fe2 K4 N4 O6 P6 -","- C168 H260 Fe4 K8 N8 O12 P12 -","2","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.1074","0.0569","","","0.1094","0.1263","","","","","","1.013","","","","has coordinates","219876","2020-10-21","18:00:00",""
"4514705","10.5863","0.0009","16.3326","0.0012","20.8095","0.0017","90","","90","","90","","3598","0.5","125","2","124.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Fe K N2 P3 Si -","- C33 H50 Fe K N2 P3 Si -","- C132 H200 Fe4 K4 N8 P12 Si4 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","1.54178","CuKα","","0.0873","0.067","","","0.149","0.1606","","","","","","1.062","","","","has coordinates","219876","2020-10-21","18:00:00",""
"4514706","8.3908","0.0002","20.0893","0.0006","14.6398","0.0004","90","","100.46","0.003","90","","2426.75","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N4 O2 Pd -","- C28 H26 N4 O2 Pd -","- C112 H104 N16 O8 Pd4 -","4","1","","Luo, Yun-Cheng; Yang, Chao; Qiu, Sheng-Qi; Liang, Qiu-Ju; Xu, Yun-He; Loh, Teck-Peng","Palladium(II)-Catalyzed Stereospecific Alkenyl C‒H Bond Alkylation of Allylamines with Alkyl Iodides","ACS Catalysis","2019","9","5","4271","","10.1021/acscatal.8b04415","","x-ray","1.54184","CuKα","","0.0861","0.0703","","","0.1842","0.1918","","","","","","1.019","","","","has coordinates","219877","2020-10-21","18:00:00",""
"4514707","9.5625","0.0005","11.3203","0.0004","24.4937","0.001","90","","90","","90","","2651.5","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 Co N4 O -","- C26 H28 Cl2 Co N4 O -","- C104 H112 Cl8 Co4 N16 O4 -","4","1","","Chen, Xu; Cheng, Zhaoyang; Lu, Zhan","Cobalt-Catalyzed Asymmetric Markovnikov Hydroboration of Styrenes","ACS Catalysis","2019","9","5","4025","","10.1021/acscatal.8b05135","","","0.71073","MoKα","","0.0523","0.0382","","","0.0763","0.0842","","","","","","1.061","","","","has coordinates","219878","2020-10-21","18:00:00",""
"4514708","10.2617","0.0002","16.0861","0.0002","17.7316","0.0002","100.697","0.001","90.004","0.001","105.821","0.001","2763.17","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H73 Ni2 O3 P2 -","- C63 H73 Ni2 O3 P2 -","- C126 H146 Ni4 O6 P4 -","2","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","","0.71073","MoKα","","0.091","0.0873","","","0.2546","0.2597","","","","","","1.126","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514709","8.6245","0.0011","9.0612","0.0012","20.838","0.002","84.848","0.01","88.901","0.009","62.929","0.013","1443.8","0.3","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Ni O2 P S -","- C32 H37 Ni O2 P S -","- C64 H74 Ni2 O4 P2 S2 -","2","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.1371","0.079","","","0.1384","0.1563","","","","","","1.023","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514710","22.1829","0.0013","9.2102","0.0007","15.4936","0.001","90","","94.271","0.006","90","","3156.7","0.4","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Ni O3 P -","- C34 H42 B Ni O3 P -","- C136 H168 B4 Ni4 O12 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.1068","0.0907","","","0.2119","0.2211","","","","","","1.093","","","","has coordinates,has disorder","219879","2020-10-21","18:00:00",""
"4514711","8.8285","0.0006","20.3843","0.0015","17.3286","0.0013","90","","95.23","0.008","90","","3105.5","0.4","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B Ni O P -","- C36 H44 B Ni O P -","- C144 H176 B4 Ni4 O4 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.0943","0.0672","","","0.1563","0.1692","","","","","","1.057","","","","has coordinates,has disorder","219879","2020-10-21","18:00:00",""
"4514712","8.8889","0.0003","15.1597","0.0004","17.8889","0.0005","91.217","0.002","96.831","0.002","90.693","0.002","2392.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 Ni P -","- C28 H31 Ni P -","- C112 H124 Ni4 P4 -","4","2","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.0634","0.0477","","","0.1227","0.1342","","","","","","1.078","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514713","16.7529","0.0001","10.1199","0.0001","14.6061","0.0001","90","","90","","90","","2476.28","0.03","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H30 Br Ni P -","- C28 H30 Br Ni P -","- C112 H120 Br4 Ni4 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.026","0.0221","","","0.0573","0.0595","","","","","","1.045","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514714","15.588","0.0007","10.6978","0.0005","14.1186","0.0007","90","","107.935","0.005","90","","2239.97","0.19","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B2 N O4 -","- C21 H31 B2 N O4 -","- C84 H124 B8 N4 O16 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.0597","0.0539","","","0.1356","0.1413","","","","","","1.071","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514715","9.5332","0.0003","9.5332","0.0003","19.5349","0.0008","90","","90","","120","","1537.51","0.09","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C23 H21 Br N2 O3 -","- C23 H21 Br N2 O3 -","- C69 H63 Br3 N6 O9 -","3","1","","Das, Tamal Kanti; Ghosh, Avik; Balanna, Kuruva; Behera, Pradipta; Gonnade, Rajesh G.; Marelli, Udaya Kiran; Das, Abhijit Kumar; Biju, Akkattu T.","N-Heterocyclic Carbene-Catalyzed Umpolung of Imines for the Enantioselective Synthesis of Dihydroquinoxalines","ACS Catalysis","2019","9","5","4065","","10.1021/acscatal.9b00737","","","0.71073","MoKα","","0.0205","0.0193","","","0.0478","0.048","","","","","","1.058","","","","has coordinates","219880","2020-10-21","18:00:00",""
"4514716","8.3903","0.0003","17.9634","0.0005","9.3448","0.0003","90","","112.656","0.004","90","","1299.75","0.08","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 S2 -","- C14 H11 N O2 S2 -","- C56 H44 N4 O8 S8 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0443","0.0441","","","0.0885","0.0886","","","","","","1.048","","","","has coordinates","219881","2020-10-21","18:00:00",""
"4514717","17.7962","0.0006","4.9199","0.0002","19.1526","0.0006","90","","105.417","0.003","90","","1616.57","0.1","98","2","98","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 Br2 N2 O2 S -","- C18 H10 Br2 N2 O2 S -","- C72 H40 Br8 N8 O8 S4 -","4","0.5","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0249","0.0232","","","0.064","0.0656","","","","","","1.038","","","","has coordinates","219882","2020-10-21","18:00:00",""
"4514718","14.2892","0.0008","10.414","0.0005","7.4904","0.0004","90","","103.95","0.005","90","","1081.76","0.1","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0583","0.058","","","0.125","0.1251","","","","","","1.044","","","","has coordinates","219883","2020-10-21","18:00:00",""
"4514719","18.9763","0.0008","13.5616","0.0003","24.1428","0.0006","90","","95.348","0.002","90","","6186.1","0.3","98","2","98","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C18 H10 Cl2 N2 S -","- C18 H10 Cl2 N2 S -","- C288 H160 Cl32 N32 S16 -","16","2","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0433","0.0422","","","0.1193","0.1203","","","","","","1.079","","","","has coordinates","219884","2020-10-21","18:00:00",""
"4514720","14.4698","0.0006","5.8318","0.0003","11.9918","0.0006","90","","103.449","0.004","90","","984.18","0.08","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O2 S -","- C10 H8 Cl N O2 S -","- C40 H32 Cl4 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.046","0.0457","","","0.1115","0.1116","","","","","","1.081","","","","has coordinates","219885","2020-10-21","18:00:00",""
"4514721","10.7209","0.0002","11.7327","0.0002","13.2944","0.0003","90","","97.17","0.002","90","","1659.16","0.06","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl N2 O4 S -","- C17 H15 Cl N2 O4 S -","- C68 H60 Cl4 N8 O16 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0386","0.0379","","","0.0815","0.0819","","","","","","0.991","","","","has coordinates","219886","2020-10-21","18:00:00",""
"4514722","8.3782","0.0002","8.266","0.0002","20.0756","0.0005","90","","97","0.002","90","","1379.96","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0403","0.0391","","","0.0881","0.0889","","","","","","1.064","","","","has coordinates","219887","2020-10-21","18:00:00",""
"4514723","12.9582","0.0003","9.0843","0.0001","14.2001","0.0003","90","","108.155","0.002","90","","1588.37","0.06","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl2 N2 O2 S -","- C18 H10 Cl2 N2 O2 S -","- C72 H40 Cl8 N8 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0378","0.0372","","","0.091","0.0914","","","","","","1.092","","","","has coordinates","219888","2020-10-21","18:00:00",""
"4514724","8.9497","0.001","9.3068","0.0014","15.389","0.0017","90","","90","","90","","1281.8","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0343","0.0333","","","0.0777","0.0783","","","","","","1.036","","","","has coordinates","219889","2020-10-21","18:00:00",""
"4514725","8.2088","0.0003","24.9454","0.0006","6.8433","0.0002","90","","94.558","0.003","90","","1396.88","0.07","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0602","0.0595","","","0.1482","0.1487","","","","","","1.029","","","","has coordinates","219890","2020-10-21","18:00:00",""
"4514726","7.6361","0.0002","13.7285","0.0004","14.864","0.0004","69.516","0.002","85.244","0.002","83.871","0.002","1449.62","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N2 O2 S -","- C18 H12 N2 O2 S -","- C72 H48 N8 O8 S4 -","4","2","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.042","0.0411","","","0.09","0.0906","","","","","","1.054","","","","has coordinates","219891","2020-10-21","18:00:00",""
"4514727","7.5118","0.0004","8.3229","0.0005","12.1237","0.0008","84.045","0.005","88.396","0.005","77.487","0.005","735.96","0.08","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 F N O4 S -","- C17 H14 F N O4 S -","- C34 H28 F2 N2 O8 S2 -","2","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0393","0.0392","","","0.0837","0.0837","","","","","","1.015","","","","has coordinates","219892","2020-10-21","18:00:00",""
"4514728","7.8092","0.0002","9.7669","0.0002","14.5366","0.0003","104.686","0.002","101.315","0.002","100.756","0.002","1018.49","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C44 H48 N4 O12 S2 -","2","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.05","0.0494","","","0.113","0.1134","","","","","","1.028","","","","has coordinates","219893","2020-10-21","18:00:00",""
"4514729","15.7798","0.0003","11.6418","0.0002","22.199","0.0004","90","","106.677","0.002","90","","3906.54","0.13","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl N O2 S -","- C22 H22 Cl N O2 S -","- C176 H176 Cl8 N8 O16 S8 -","8","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0374","0.0372","","","0.0874","0.0875","","","","","","1.047","","","","has coordinates","219894","2020-10-21","18:00:00",""
"4514730","8.3065","0.0017","16.337","0.003","7.6187","0.0015","90","","99.14","0.03","90","","1020.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I2 N4 Pd -","- C18 H20 I2 N4 Pd -","- C36 H40 I4 N8 Pd2 -","2","0.5","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9699","synchrotron","","0.0678","0.052","","","0.1172","0.1278","","","","","","1.074","","","","has coordinates","219895","2020-10-21","18:00:00",""
"4514731","18.486","0.004","9.2309","0.0019","20.682","0.004","90","","106.8","0.03","90","","3378.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Br4 Hg2 N4 -","- C26 H36 Br4 Hg2 N4 -","- C104 H144 Br16 Hg8 N16 -","4","0.5","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9626","synchrotron","","0.1232","0.0979","","","0.2224","0.2533","","","","","","0.951","","","","has coordinates","219896","2020-10-21","18:00:00",""
"4514732","10.648","0.002","20.021","0.004","12.134","0.002","90","","95.49","0.03","90","","2574.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Hg2 I4 N4 -","- C18 H20 Hg2 I4 N4 -","- C72 H80 Hg8 I16 N16 -","4","1","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9699","synchrotron","","0.0907","0.0813","","","0.1763","0.1886","","","","","","0.86","","","","has coordinates","219897","2020-10-21","18:00:00",""
"4514733","39.446","0.002","39.446","0.002","16.4166","0.001","90","","90","","120","","22122","2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C102.56 H52 F2 O34 Zr6 -","- C102.56 H52 F2 O34 Zr6 -","- C307.68 H156 F6 O102 Zr18 -","3","0.125","","Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T.","Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2019","9","4","3198","","10.1021/acscatal.8b04828","","","0.71073","MoKα","","0.1251","0.0798","","","0.2346","0.2736","","","","","","1.068","","","","has coordinates,has disorder","219898","2020-10-21","18:00:00",""
"4514734","22.883","0.0008","9.2579","0.0003","21.1481","0.0008","90","","115.533","0.004","90","","4042.6","0.3","93","2","93","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C51 H53 Ni P2 -","- C51 H53 Ni P2 -","- C204 H212 Ni4 P8 -","4","1","","Charboneau, David J.; Brudvig, Gary W.; Hazari, Nilay; Lant, Hannah M. C.; Saydjari, Andrew K.","Development of an Improved System for the Carboxylation of Aryl Halides through Mechanistic Studies.","ACS catalysis","2019","9","4","3228","3241","10.1021/acscatal.9b00566","","","0.71073","MoKα","","0.1116","0.0566","","","0.0989","0.1163","","","","","","1.014","","","","has coordinates","219899","2020-10-21","18:00:00",""
"4514735","7.7672","0.0008","8.6398","0.0009","22.845","0.002","90","","90","","90","","1533.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Dai, Yuanwei; Tian, Baotong; Chen, Huan; Zhang, Qiang","Palladium-Catalyzed Stereospecific C-Glycosylation of Glycals with Vinylogous Acceptors","ACS Catalysis","2019","9","4","2909","","10.1021/acscatal.9b00336","","","0.71073","MoKα","","0.051","0.0402","","","0.0812","0.086","","","","","","1.071","","","","has coordinates","219900","2020-10-21","18:00:00",""
"4514736","9.1154","0.0003","9.7854","0.0003","14.6304","0.0005","90","","96.443","0.004","90","","1296.76","0.07","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H37 N3 O4 Si -","- C22 H37 N3 O4 Si -","- C44 H74 N6 O8 Si2 -","2","1","","Zhan, Bei-Bei; Fan, Jun; Jin, Liang; Shi, Bing-Feng","Divergent Synthesis of Silicon-Containing Peptides via Pd-Catalyzed Post-Assembly γ-C(sp3)‒H Silylation","ACS Catalysis","2019","9","4","3298","","10.1021/acscatal.9b00544","","","1.54184","CuKα","","0.0593","0.0526","","","0.1367","0.1478","","","","","","1.039","","","","has coordinates","219901","2020-10-21","18:00:00",""
"4514737","14.5138","0.0002","18.5644","0.0003","21.462","0.0003","104.385","0.001","102.683","0.001","107.545","0.001","5062.15","0.14","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C89 H64 Al B2 F36 N O6 P4 Rh2 -","- C89 H64 Al B2 F36 N O6 P4 Rh2 -","- C178 H128 Al2 B4 F72 N2 O12 P8 Rh4 -","2","1","","Adams, Gemma M.; Ryan, David E.; Beattie, Nicholas A.; McKay, Alasdair I.; Lloyd-Jones, Guy C; Weller, Andrew S.","Dehydropolymerization of H<sub>3</sub>B·NMeH<sub>2</sub> Using a [Rh(DPEphos)]<sup>+</sup> Catalyst: The Promoting Effect of NMeH<sub>2</sub>.","ACS catalysis","2019","9","4","3657","3666","10.1021/acscatal.9b00081","","x-ray","1.54184","CuKα","","0.0717","0.0579","","","0.1577","0.173","","","","","","1.027","","","","has coordinates,has disorder","219902","2020-10-21","18:00:00",""
"4514738","11.8371","0.0009","14.1571","0.001","16.2044","0.0012","90","","99.776","0.003","90","","2676.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl F Ni P2 -","- C27 H36 Cl F Ni P2 -","- C108 H144 Cl4 F4 Ni4 P8 -","4","1","","Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.","Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.","ACS catalysis","2019","9","4","3304","3310","10.1021/acscatal.9b00744","","x-ray","0.71073","MoKα","","0.046","0.0304","","","0.0658","0.0708","","","","","","1.04","","","","has coordinates","219903","2020-10-21","18:00:00",""
"4514739","8.6752","0.0003","12.5702","0.0004","14.4059","0.0005","90","","101.795","0.001","90","","1537.78","0.09","100","","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C29 H42 F N Ni O3 P2 S -","- C29 H42 F N Ni O3 P2 S -","- C58 H84 F2 N2 Ni2 O6 P4 S2 -","2","0.5","","Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.","Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.","ACS catalysis","2019","9","4","3304","3310","10.1021/acscatal.9b00744","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0593","0.0613","","","","","","1.07","","","","has coordinates,has disorder","219904","2020-10-21","18:00:00",""
"4514740","15.4307","0.0005","22.1735","0.0008","10.8845","0.0003","90","","90","","90","","3724.2","0.2","120","","120","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H58 Co I N4 P2 Zr -","- C32 H58 Co I N4 P2 Zr -","- C128 H232 Co4 I4 N16 P8 Zr4 -","4","0.5","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0333","0.0283","","0.0668","0.0643","0.0668","","","","","","1.038","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514741","11.4073","0.0004","12.4796","0.0004","14.109","0.0004","100.063","0.002","97.493","0.002","112.211","0.002","1787.87","0.11","120","2","120","2","","","","","","","","7","P -1","-P 1","2","KG-595","","","- C56 H92 Co2 I6 N4 P4 Zr2 -","- C56 H92 Co2 I6 N4 P4 Zr2 -","- C56 H92 Co2 I6 N4 P4 Zr2 -","1","0.5","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0374","0.0263","","","0.0532","0.0563","","","","","","1.028","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514742","9.9663","0.0003","10.4166","0.0003","23.1907","0.0007","81.58","0.002","83.529","0.002","82.278","0.002","2349.34","0.12","120","2","120","2","","","","","","","","8","P -1","-P 1","2","KG872","","","- C45 H67 Co I N2 O P3 Zr -","- C45 H67 Co I N2 O P3 Zr -","- C90 H134 Co2 I2 N4 O2 P6 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.068","0.0426","","","0.0932","0.1039","","","","","","1.028","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514743","38.6599","0.0012","12.0858","0.0004","18.3535","0.0006","90","","103.833","0.002","90","","8326.7","0.5","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","KG_665","","","- C35 H65 Co I N2 O P3 Zr -","- C35 H65 Co I N2 O P3 Zr -","- C280 H520 Co8 I8 N16 O8 P24 Zr8 -","8","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.037","0.0263","","","0.0607","0.0653","","","","","","1.026","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514744","12.2182","0.0007","13.374","0.0007","16.9003","0.0009","70.756","0.002","71.3","0.002","74.862","0.002","2432.1","0.2","150.15","","150.15","","","","","","","","","8","P -1","-P 1","2","","C45H69CoIN2OP3Zr","","- C45 H69 Co I N2 O P3 Zr -","- C45 H69 Co I N2 O P3 Zr -","- C90 H138 Co2 I2 N4 O2 P6 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","x-ray","0.71073","MoKα","","0.0443","0.0332","","","0.0812","0.0894","","","","","","1.055","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514745","10.7474","0.0004","11.7734","0.0004","20.3607","0.0007","77.69","0.002","79.557","0.002","69.802","0.002","2345.95","0.15","120","2","120.06","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H64 Co I N2 O P2 Zr -","- C46 H64 Co I N2 O P2 Zr -","- C92 H128 Co2 I2 N4 O2 P4 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0613","0.0397","","","0.0885","0.0971","","","","","","1.049","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514746","6.5323","0.0002","24.418","0.0006","9.191","0.0002","90","","104.387","0.001","90","","1420.04","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 B N3 O4 -","- C31 H38 B N3 O4 -","- C62 H76 B2 N6 O8 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0483","0.0398","","","0.0878","0.0923","","","","","","1.045","","","","has coordinates","219906","2020-10-21","18:00:00",""
"4514747","8.6104","0.0004","10.5955","0.0005","17.71","0.0009","90","","99.051","0.001","90","","1595.59","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 Pd -","- C17 H18 N2 O3 Pd -","- C68 H72 N8 O12 Pd4 -","4","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","0.71073","MoKα","","0.024","0.0214","","","0.0516","0.0529","","","","","","1.141","","","","has coordinates","219907","2020-10-21","18:00:00",""
"4514748","6.3743","0.0001","23.6017","0.0006","9.0486","0.0002","90","","101.68","0.002","90","","1333.12","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0255","0.0248","","","0.0607","0.0611","","","","","","1.035","","","","has coordinates","219908","2020-10-21","18:00:00",""
"4514749","8.7707","0.0009","11.7137","0.0012","13.5892","0.0012","82.784","0.003","81.615","0.003","88.403","0.003","1370.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N6 O10 Zn2 -","- C44 H40 N6 O10 Zn2 -","- C44 H40 N6 O10 Zn2 -","1","0.5","","Markad, Datta; Mandal, Sanjay K.","Design of a Primary-Amide-Functionalized Highly Efficient and Recyclable Hydrogen-Bond-Donating Heterogeneous Catalyst for the Friedel‒Crafts Alkylation of Indoles with β-Nitrostyrenes","ACS Catalysis","2019","9","4","3165","","10.1021/acscatal.8b04962","","","0.71073","MoKα","","0.0709","0.0593","","","0.185","0.1911","","","","","","1.173","","","","has coordinates","219909","2020-10-21","18:00:00",""
"4514750","30.115","0.003","11.645","0.002","20.4586","0.0019","90","","102.223","0.008","90","","7012","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 Cl F2 Ni P2 -","- C42 H33 Cl F2 Ni P2 -","- C336 H264 Cl8 F16 Ni8 P16 -","8","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan","Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization","ACS Catalysis","2019","9","4","2760","","10.1021/acscatal.8b04707","","","0.71073","MoKα","","0.0442","0.0323","","","0.0787","0.082","","","","","","1.029","","","","has coordinates","219910","2020-10-21","18:00:00",""
"4514751","16.868","0.001","20.0011","0.0013","26.7439","0.0018","90","","90","","90","","9022.8","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H58 F2 N Ni O2 P -","- C51 H58 F2 N Ni O2 P -","- C408 H464 F16 N8 Ni8 O16 P8 -","8","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan","Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization","ACS Catalysis","2019","9","4","2760","","10.1021/acscatal.8b04707","","","0.71073","MoKα","","0.1466","0.0583","","","0.0957","0.1326","","","","","","0.889","","","","has coordinates","219911","2020-10-21","18:00:00",""
"4514752","4.7773","0.0019","16.685","0.007","6.289","0.003","90","","104.66","0.01","90","","485","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C20 H18 Br2 O6 -","2","1","","Sawano, Takahiro; Yamamoto, Hisashi","Enantioselective Epoxidation of β,γ-Unsaturated Carboxylic Acids by a Cooperative Binuclear Titanium Complex","ACS Catalysis","2019","9","4","3384","","10.1021/acscatal.9b00840","","","0.71075","MoKα","","0.0372","0.0336","","","0.0733","0.0755","","","","","","1.004","","","","has coordinates","219912","2020-10-21","18:00:00",""
"4514753","7.3331","0.0004","9.8564","0.0005","25.7259","0.0012","90","","90","","90","","1859.42","0.16","297.32","0.11","297.32","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O2 -","- C22 H19 Br N2 O2 -","- C88 H76 Br4 N8 O8 -","4","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0616","0.059","","","0.1575","0.1617","","","","","","1.077","","","","has coordinates","219913","2020-10-21","18:00:00",""
"4514754","11.3963","0.0002","10.25731","0.00018","13.268","0.0002","90","","95.0958","0.0016","90","","1544.84","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N4 O2 -","- C36 H32 Cl2 N4 O2 -","- C72 H64 Cl4 N8 O4 -","2","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0597","0.0578","","","0.1513","0.1547","","","","","","1.025","","","","has coordinates","219914","2020-10-21","18:00:00",""
"4514755","17.546","0.005","6.607","0.002","17.993","0.006","90","","115.207","0.005","90","","1887.2","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","2","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.1411","0.1256","","","0.344","0.3575","","","","","","2.082","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4514756","9.162","0.006","10.694","0.007","22.484","0.014","90","","90","","90","","2203","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2507","0.1092","","","0.2459","0.3088","","","","","","1.129","","","","has coordinates","219916","2020-10-21","18:00:00",""
"4514757","6.556","0.002","13.237","0.004","25.625","0.008","90","","90","","90","","2223.8","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O3 S -","- C29 H21 N O3 S -","- C116 H84 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2742","0.161","","","0.3677","0.4328","","","","","","1.204","","","","has coordinates","219917","2020-10-21","18:00:00",""
"4514758","8.9405","0.0014","10.0639","0.0017","23.127","0.004","90","","90","","90","","2080.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O5 S -","- C23 H21 N O5 S -","- C92 H84 N4 O20 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.0622","0.0416","","","0.0937","0.1034","","","","","","0.953","","","","has coordinates","219918","2020-10-21","18:00:00",""
"4514759","24.679","0.002","24.679","0.002","9.5417","0.0008","90","","90","","120","","5032.8","0.7","100","","100","","","","","","","","","4","P -3","-P 3","147","","","","- C18 H16 Br2 O2 -","- C18 H16 Br2 O2 -","- C216 H192 Br24 O24 -","12","2","","Trost, Barry M.; Tracy, Jacob S.","Vanadium-Catalyzed Synthesis of Geometrically Defined Acyclic Tri- and Tetrasubstituted Olefins from Propargyl Alcohols","ACS Catalysis","2019","9","2","1584","","10.1021/acscatal.8b04567","","x-ray","0.71073","MoKα","","0.0776","0.0451","","","0.069","0.0788","","","","","","1.027","","","","has coordinates","219919","2020-10-21","18:00:00",""
"4514760","8.5586","0.0002","8.9303","0.0002","9.6822","0.0002","76.723","0.001","86.703","0.001","85.126","0.001","717.08","0.03","170","2","169.99","","","","","","","","","6","P 1","P 1","1","","","","- C12.5 H16 Cl2 Co N1.5 O -","- C12 H16 Cl2 Co N2 O -","- C24 H32 Cl4 Co2 N4 O2 -","2","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0408","0.0369","","","0.0995","0.105","","","","","","0.81","","","","has coordinates","219920","2020-10-21","18:00:00",""
"4514761","9.7507","0.0002","13.413","0.0002","12.9181","0.0002","90","","90.316","0.001","90","","1689.48","0.05","170","2","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl2 Co N2 O -","- C16 H18 Cl2 Co N2 O -","- C64 H72 Cl8 Co4 N8 O4 -","4","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0333","0.0291","","","0.0599","0.0615","","","","","","0.992","","","","has coordinates","219921","2020-10-21","18:00:00",""
"4514762","25.1281","0.0009","6.268","0.0002","15.987","0.0006","90","","99.524","0.002","90","","2483.29","0.15","90","","90","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.48 H29.66 Cl1.27 N O3 -","- C29.483 H29.657 Cl1.275 N O3 -","- C117.932 H118.628 Cl5.1 N4 O12 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Gnanamani, Elumalai","Tuning the Reactivity of Ketones through Unsaturation: Construction of Cyclic and Acyclic Quaternary Stereocenters via Zn-ProPhenol Catalyzed Mannich Reactions","ACS Catalysis","2019","9","2","1549","","10.1021/acscatal.8b04685","","x-ray","1.54178","CuKα","","0.043","0.0406","","","0.0989","0.1012","","","","","","1.054","","","","has coordinates,has disorder","219922","2020-10-21","18:00:00",""
"4514763","15.7797","0.0004","6.4246","0.0002","18.8309","0.0006","90","","114.711","0.002","90","","1734.23","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 O P -","- C22 H19 O P -","- C88 H76 O4 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","1.54178","CuKα","","0.0466","0.0452","","","0.1129","0.1141","","","","","","1.056","","","","has coordinates","219923","2020-10-21","18:00:00",""
"4514764","10.6041","0.0014","11.5598","0.0016","19.577","0.003","90","","94.744","0.004","90","","2391.6","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 F2 N O2 P -","- C27 H26 F2 N O2 P -","- C108 H104 F8 N4 O8 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.0618","0.0453","","","0.1044","0.1125","","","","","","1.01","","","","has coordinates","219924","2020-10-21","18:00:00",""
"4514765","9.561","0.004","9.713","0.003","20.717","0.009","90","","90","","90","","1923.9","1.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O3 P -","- C24 H21 O3 P -","- C96 H84 O12 P4 -","4","1","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.036","0.0332","","","0.0777","0.0789","","","","","","1.091","","","","has coordinates","219925","2020-10-21","18:00:00",""
"4514766","6.03","0.0002","19.3547","0.0008","9.0029","0.0003","90","","102.453","0.001","90","","1026","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A.","Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination.","ACS catalysis","2019","9","2","1558","1563","10.1021/acscatal.8b04284","","","0.71073","MoKα","","0.0296","0.0279","","","0.0653","0.0664","","","","","","1.162","","","","has coordinates","219926","2020-10-21","18:00:00",""
"4514767","5.6039","0.0007","10.7509","0.0013","19.196","0.002","90","","90","","90","","1156.5","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Zheng, Pengfei; Wang, Chengpeng; Chen, Ying-Chun; Dong, Guangbin","Pd-Catalyzed Intramolecular α-Allylic Alkylation of Ketones with Alkynes: Rapid and Stereodivergent Construction of [3.2.1] Bicycles","ACS Catalysis","2019","9","6","5515","","10.1021/acscatal.9b00997","","","0.71073","MoKα","","0.0557","0.0489","","","0.126","0.1314","","","","","","1.046","","","","has coordinates","219927","2020-10-21","18:00:00",""
"4514768","13.6599","0.0003","14.2563","0.0003","20.5882","0.0005","90","","90","","90","","4009.34","0.16","150","0.3","150","0.3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7DiPPZn(H)(THF) NTf2","","- C35 H51 F6 N3 O5 S2 Zn -","- C35 H51 F6 N3 O5 S2 Zn -","- C140 H204 F24 N12 O20 S8 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.0837","0.0625","","","0.1538","0.1787","","","","","","1.07","","","","has coordinates,has disorder","219928","2020-10-21","18:00:00",""
"4514769","19.3499","0.0009","20.6938","0.0007","20.4521","0.001","90","","105.975","0.005","90","","7873.2","0.6","150","0.3","150","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","7DiPPZnPhNTf2","","- C37 H47 F6 N3 O4 S2 Zn -","- C37 H47 F6 N3 O4 S2 Zn -","- C296 H376 F48 N24 O32 S16 Zn8 -","8","2","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.0935","0.0514","","","0.1181","0.1419","","","","","","1.028","","","","has coordinates","219929","2020-10-21","18:00:00",""
"4514770","10.0474","0.0006","16.5268","0.0015","16.5479","0.0014","117.002","0.009","106.69","0.006","94.539","0.006","2273.4","0.4","150","0.3","150","0.3","","","","","","","","8","P -1","-P 1","2","","[(7DiPP)Zn(H)NTf2]","","- C26.67 H32.67 Cl2 F4 N2 O2.67 S1.33 Zn0.67 -","- C26.6667 H32.6667 Cl2 F4 N2 O2.66667 S1.33333 Zn0.666667 -","- C80 H98 Cl6 F12 N6 O8 S4 Zn2 -","3","1.5","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.1204","0.0699","","","0.1601","0.1735","","","","","","0.942","","","","has coordinates,has disorder","219930","2020-10-21","18:00:00",""
"4514771","19.3717","0.001","16.9243","0.0007","27.5305","0.0016","90","","101.738","0.005","90","","8837.2","0.8","150","0.4","150","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N2 Zn -","- C47 H56 N2 Zn -","- C376 H448 N16 Zn8 -","8","2","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.1434","0.0631","","","0.1132","0.1432","","","","","","0.945","","","","has coordinates","219931","2020-10-21","18:00:00",""
"4514772","12.9149","0.0009","19.5194","0.0006","19.2829","0.0013","90","","133.379","0.012","90","","3533.1","0.8","150.03","0.1","150.03","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl2 N2 O1.5 Zn -","- C35 H54 Cl2 N2 O1.5 Zn -","- C140 H216 Cl8 N8 O6 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.0736","0.0467","","","0.0894","0.1012","","","","","","1.035","","","","has coordinates,has disorder","219932","2020-10-21","18:00:00",""
"4514773","20.3293","0.0008","9.7719","0.0004","18.4536","0.0008","90","","106.688","0.005","90","","3511.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(7DiPP)ZnPh2]","","- C41 H52 N2 Zn -","- C41 H52 N2 Zn -","- C164 H208 N8 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.0656","0.0415","","","0.0795","0.0886","","","","","","1.021","","","","has coordinates","219933","2020-10-21","18:00:00",""
"4514774","11.9544","0.0004","13.4764","0.0005","15.7416","0.0005","95.505","0.003","100.925","0.003","110.249","0.003","2299.96","0.15","149.9","0.3","149.9","0.3","","","","","","","","7","P -1","-P 1","2","","[IDiPPZnPh(THF)2][NTf2]","","- C43 H57 F6 N3 O6 S2 Zn -","- C43 H57 F6 N3 O6 S2 Zn -","- C86 H114 F12 N6 O12 S4 Zn2 -","2","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.079","0.0542","","","0.118","0.1343","","","","","","1.032","","","","has coordinates,has disorder","219934","2020-10-21","18:00:00",""
"4514775","9.663","0.0002","9.7186","0.0002","31.0442","0.0007","90","","90","","90","","2915.39","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko","Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes","ACS Catalysis","2019","9","6","5638","","10.1021/acscatal.9b00655","","","1.54178","CuKα","","0.0296","0.0295","","","0.0742","0.0743","","","","","","1.06","","","","has coordinates","219935","2020-10-21","18:00:00",""
"4514776","13.6131","0.0004","35.785","0.0011","9.9738","0.0003","90","","90","","90","","4858.7","0.3","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H25 O3 P S -","- C27 H25 O3 P S -","- C216 H200 O24 P8 S8 -","8","2","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.0477","0.0377","","","0.0924","0.0993","","","","","","1.039","","","","has coordinates","219936","2020-10-21","18:00:00",""
"4514777","12.1386","0.0012","16.1932","0.0015","15.8018","0.0015","90","","97.546","0.005","90","","3079.1","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 Dy F9 N4 O17 S3 -","- C46 H76 Dy F9 N4 O17 S3 -","- C92 H152 Dy2 F18 N8 O34 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.056","0.0514","","","0.1334","0.1434","","","","","","1.013","","","","has coordinates","219937","2020-10-21","18:00:00",""
"4514778","12.1823","0.0013","16.5445","0.0019","16.408","0.0019","90","","101.368","0.004","90","","3242.2","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H84 F9 N4 O18 Pr S3 -","- C51 H84 F9 N4 O18 Pr S3 -","- C102 H168 F18 N8 O36 Pr2 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0465","0.0427","","","0.1113","0.1141","","","","","","1.071","","","","has coordinates","219938","2020-10-21","18:00:00",""
"4514779","15.6161","0.0016","19.6361","0.0019","21.6999","0.0019","90","","90","","90","","6654","1.1","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H82 F9 N4 O15 S3 Tm -","- C53 H82 F9 N4 O15 S3 Tm -","- C212 H328 F36 N16 O60 S12 Tm4 -","4","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0989","0.0674","","","0.1571","0.1817","","","","","","0.977","","","","has coordinates","219939","2020-10-21","18:00:00",""
"4514780","9.9449","0.0002","17.1268","0.0004","19.9556","0.0004","90","","90","","90","","3398.92","0.12","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 O P2 -","- C44 H40 O P2 -","- C176 H160 O4 P8 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","0.71073","MoKα","","0.05","0.0381","","","0.085","0.0895","","","","","","1.04","","","","has coordinates","219940","2020-10-21","18:00:00",""
"4514781","7.0791","0.0002","7.2172","0.0002","16.4881","0.0006","85.775","0.003","87.502","0.003","64.437","0.003","757.81","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C17 H11 Cr F O5 -","- C17 H11 Cr F O5 -","- C34 H22 Cr2 F2 O10 -","2","2","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1277","0.1284","","","","","","1.04","","","","has coordinates,has disorder","219941","2020-10-21","18:00:00",""
"4514782","11.209","0.008","13.582","0.007","13.728","0.008","60.753","0.017","79.38","0.02","76.89","0.02","1769.4","1.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 N4 O -","- C43 H32 Cl2 N4 O -","- C86 H64 Cl4 N8 O2 -","2","1","","Takamatsu, Kazutaka; Hayashi, Yoshihiro; Kawauchi, Susumu; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Regioselective C‒H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary","ACS Catalysis","2019","9","6","5336","","10.1021/acscatal.9b01145","","","0.71075","MoKα","","0.0941","0.0648","","","0.179","0.2029","","","","","","0.959","","","","has coordinates","219942","2020-10-21","18:00:00",""
"4514783","10.628","0.0004","11.4207","0.0004","12.9524","0.0005","65.936","0.002","85.626","0.002","72.954","0.002","1370.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N O2 S -","- C31 H31 N O2 S -","- C62 H62 N2 O4 S2 -","2","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.1193","0.0866","","","0.2621","0.2984","","","","","","1.006","","","","has coordinates","219943","2020-10-21","18:00:00",""
"4514784","14.0088","0.0003","9.652","0.0002","19.0811","0.0004","90","","109.714","0.001","90","","2428.79","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.0536","0.041","","","0.1071","0.1156","","","","","","1.033","","","","has coordinates","219944","2020-10-21","18:00:00",""
"4514785","9.7201","0.0004","26.2838","0.001","5.4483","0.0002","90","","90","","90","","1391.94","0.09","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.0598","0.0495","","","0.1244","0.1435","","","","","","1.114","","","","has coordinates","219945","2020-10-21","18:00:00",""
"4514786","7.5559","0.0005","13.9087","0.0012","11.4271","0.0007","90","","90","","90","","1200.91","0.15","173","0.1","173","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.1727","0.1656","","","0.3673","0.394","","","","","","1.791","","","","has coordinates","219946","2020-10-21","18:00:00",""
"4514787","7.8048","0.0003","5.9454","0.0003","13.2408","0.0005","90","","92.593","0.004","90","","613.78","0.05","172.98","0.1","172.98","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N -","- C8 H6 N -","- C32 H24 N4 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.0648","0.0523","","","0.1393","0.1581","","","","","","1.055","","","","has coordinates","219947","2020-10-21","18:00:00",""
"4514788","7.262","0.0002","7.262","","41.516","0.001","90","","90","","90","","2189.41","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 F3 O2 -","- C11 H11 F3 O2 -","- C88 H88 F24 O16 -","8","1","","Kerdphon, Sutthichat; Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Eriksson, Lars; Andersson, Pher G.","Diastereo- and Enantioselective Synthesis of Structurally Diverse Succinate, Butyrolactone, and Trifluoromethyl Derivatives by Iridium-Catalyzed Hydrogenation of Tetrasubstituted Olefins","ACS Catalysis","2019","9","7","6169","","10.1021/acscatal.9b01508","","","1.54184","CuKα","","0.0285","0.0281","","","0.0777","0.078","","","","","","1.11","","","","has coordinates","219948","2020-10-21","18:00:00",""
"4514789","8.98144","0.00012","9.10592","0.00011","35.9259","0.0004","90","","90","","90","","2938.17","0.06","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0351","0.0336","","","0.0932","0.0943","","","","","","1.029","","","","has coordinates","219949","2020-10-21","18:00:00",""
"4514790","9.3678","0.0001","6.9408","0.0001","11.2829","0.0001","90","","93.95","0.001","90","","731.872","0.015","294.15","","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0746","0.0747","","","","","","1.047","","","","has coordinates","219950","2020-10-21","18:00:00",""
"4514791","14.0443","0.0003","8.9519","0.0002","34.5515","0.0011","90","","90","","90","","4343.92","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","25 in manuscript","","","- C25 H22 I O P -","- C25 H22 I O P -","- C200 H176 I8 O8 P8 -","8","2","","Zhang, Lumin; Si, Xiaojia; Yang, Yangyang; Witzel, Sina; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Reductive C‒C Coupling by Desulfurizing Gold-Catalyzed Photoreactions","ACS Catalysis","2019","9","7","6118","","10.1021/acscatal.9b01368","","","1.54178","CuKα","","0.0508","0.0491","","","0.1343","0.1369","","","","","","1.033","","","","has coordinates","219951","2020-10-21","18:00:00",""
"4514792","20.1074","0.0019","16.9145","0.0016","25.426","0.002","90","","108.024","0.001","90","","8223.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 B2 Fe N12 -","- C40 H48 B2 Fe N12 -","- C320 H384 B16 Fe8 N96 -","8","1","","Isbill, Sara B.; Chandrachud, Preeti P.; Kern, Jesse L.; Jenkins, David M.; Roy, Sharani","Elucidation of the Reaction Mechanism of C<sub>2</sub> + N<sub>1</sub> Aziridination from Tetracarbene Iron Catalysts.","ACS catalysis","2019","9","7","6223","6233","10.1021/acscatal.9b01306","","","0.71073","MoKα","","0.0699","0.0577","","","0.2005","0.2069","","","","","","1.539","","","","has coordinates","219952","2020-10-21","18:00:00",""
"4514793","8.81332","0.00015","15.7101","0.0003","17.1127","0.0002","90","","102.781","0.0014","90","","2310.68","0.07","292","1","292","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Cl Ir N O -","- C24 H31 Cl Ir N O -","- C96 H124 Cl4 Ir4 N4 O4 -","4","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","1.54184","CuKα","","0.0596","0.0549","","","0.1414","0.1483","","","","","","1.053","","","","has coordinates","219953","2020-10-21","18:00:00",""
"4514794","11.5179","0.0003","13.5428","0.0006","18.483","0.0006","76.588","0.003","87.879","0.002","89.094","0.003","2802.44","0.17","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Ir N O2 -","- C32 H36 Ir N O2 -","- C128 H144 Ir4 N4 O8 -","4","2","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","0.71073","MoKα","","0.0541","0.0358","","","0.0669","0.0756","","","","","","1.035","","","","has coordinates","219954","2020-10-21","18:00:00",""
"4514795","10.7285","0.0002","17.9511","0.0007","18.0222","0.0006","90","","90","","90","","3470.87","0.19","296.31","0.1","296.31","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O S -","- C19 H21 N O S -","- C152 H168 N8 O8 S8 -","8","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","1.54184","CuKα","","0.1103","0.0865","","","0.2504","0.2749","","","","","","1.063","","","","has coordinates","219955","2020-10-21","18:00:00",""
"4514796","7.1896","0.0002","13.9891","0.0006","17.894","0.0007","90","","90","","90","","1799.71","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","","1.54184","CuKα","","0.061","0.0582","","","0.1542","0.1603","","","","","","1.047","","","","has coordinates","219956","2020-10-21","18:00:00",""
"4514797","10.6545","0.0005","10.6545","0.0005","15.1128","0.0007","90","","90","","90","","1715.58","0.14","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0348","0.0309","","","0.0692","0.0717","","","","","","1.039","","","","has coordinates","219957","2020-10-21","18:00:00",""
"4514798","5.6073","0.0001","16.7309","0.0005","16.9207","0.0006","90","","90","","90","","1587.42","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0401","0.033","","","0.0707","0.0749","","","","","","1.088","","","","has coordinates","219958","2020-10-21","18:00:00",""
"4514799","10.4266","0.0017","18.053","0.003","19.734","0.002","90","","90","","90","","3714.6","0.9","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C192 H176 N16 O8 -","8","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.1224","0.0584","","","0.1211","0.1541","","","","","","1.017","","","","has coordinates","219959","2020-10-21","18:00:00",""
"4514800","8.7098","0.0006","8.9173","0.0005","13.0467","0.0009","90","","93.444","0.002","90","","1011.48","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0829","0.0774","","","0.2062","0.2117","","","","","","1.037","","","","has coordinates","219961","2020-10-21","18:00:00",""
"4514801","9.859","0.002","10.008","0.002","15.838","0.004","93.054","0.007","90.75","0.006","99.872","0.006","1537","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","2","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0846","0.0438","","","0.0984","0.1275","","","","","","1.118","","","","has coordinates","219962","2020-10-21","18:00:00",""
"4514802","6.5399","0.0001","23.9124","0.0003","9.103","0.0001","90","","102.293","0.001","90","","1390.93","0.03","294.15","","294.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0471","0.0446","","","0.1313","0.1339","","","","","","1.063","","","","has coordinates","219963","2020-10-21","18:00:00",""
"4514803","9.0322","0.0001","9.0322","0.0001","68.9818","0.0006","90","","90","","90","","5627.58","0.1","294.15","","294.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C240 H288 B8 N24 O24 -","8","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0617","0.0584","","","0.1624","0.1657","","","","","","1.033","","","","has coordinates,has disorder","219964","2020-10-21","18:00:00",""
"4514804","12.8072","0.0005","13.6963","0.0004","17.6483","0.0006","90","","110.451","0.004","90","","2900.59","0.19","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O S2 -","- C34 H36 O S2 -","- C136 H144 O4 S8 -","4","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.067","0.0614","","","0.1629","0.1712","","","","","","1.034","","","","has coordinates","219965","2020-10-21","18:00:00",""
"4514805","7.9503","0.0008","8.3038","0.0008","12.6012","0.0011","78.352","0.008","79.15","0.008","72.944","0.009","771.51","0.13","295.9","0.6","295.9","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 S2 -","- C19 H14 S2 -","- C38 H28 S4 -","2","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0733","0.0688","","","0.1976","0.2061","","","","","","1.058","","","","has coordinates,has disorder","219966","2020-10-21","18:00:00",""
"4514806","16.653","0.0004","5.92231","0.00013","33.4022","0.0009","90","","104.977","0.003","90","","3182.36","0.14","291.3","0.8","291.3","0.8","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 O S2 -","- C19 H14 O S2 -","- C152 H112 O8 S16 -","8","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0703","0.0671","","","0.1765","0.1798","","","","","","1.14","","","","has coordinates","219967","2020-10-21","18:00:00",""
"4514807","7.74658","0.00018","14.0941","0.0003","9.1196","0.0002","90","","108.015","0.003","90","","946.87","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl Rh S -","- C21 H24 Cl Rh S -","- C42 H48 Cl2 Rh2 S2 -","2","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0512","0.0508","","","0.1311","0.1319","","","","","","1.034","","","","has coordinates","219968","2020-10-21","18:00:00",""
"4514808","3.95493","0.00011","12.7072","0.0003","25.5848","0.0007","90","","91.496","0.002","90","","1285.35","0.06","295.49","0.18","295.49","0.18","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C72 H40 S8 -","4","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0626","0.0575","","","0.1491","0.1547","","","","","","1.076","","","","has coordinates","219969","2020-10-21","18:00:00",""
"4514809","11.208","0.0012","13.909","0.003","19.199","0.003","69.17","0.05","83.14","0.02","71.15","0.03","2647.3","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Moris569 (Sayantani)","","","- C42 H78 N6 O Si6 Th -","- C42 H78 N6 O Si6 Th -","- C84 H156 N12 O2 Si12 Th2 -","2","1","","Saha, Sayantani; Eisen, Moris S.","Catalytic Recycling of a Th‒H Bond via Single or Double Hydroboration of Inactivated Imines or Nitriles","ACS Catalysis","2019","9","7","5947","","10.1021/acscatal.9b01399","","","0.71073","MoKα","","0.0333","0.0273","","","0.0623","0.064","","","","","","1.06","","","","has coordinates","219970","2020-10-21","18:00:00",""
"4514810","9.946","0.002","9.088","0.002","10.222","0.002","90","","102.351","0.003","90","","902.6","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F2 O2 -","- C10 H10 F2 O2 -","- C40 H40 F8 O8 -","4","1","","Nakayama, Yoshiki; Ando, Gaku; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis: Step-Economical Synthesis of α-CF2H-Substituted Ketones in Flow","ACS Catalysis","2019","9","7","6555","","10.1021/acscatal.9b01312","","","0.71073","MoKα","","0.0363","0.0321","","","0.0856","0.0882","","","","","","1.05","","","","has coordinates","219971","2020-10-21","18:00:00",""
"4514811","25.8841","0.001","7.333","0.0002","6.343","0.0002","90","","90","","90","","1203.95","0.07","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0394","0.0343","","","0.0776","0.0804","","","","","","1.044","","","","has coordinates","219972","2020-10-21","18:00:00",""
"4514812","5.5974","0.0005","16.9126","0.0019","19.3211","0.0017","90","","90.056","0.007","90","","1829.1","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","2","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0921","0.0544","","","0.1143","0.1299","","","","","","0.939","","","","has coordinates","219973","2020-10-21","18:00:00",""
"4514813","17.0655","0.0002","17.2352","0.0004","23.1949","0.0003","90","","95.16","0.001","90","","6794.6","0.2","99.99","0.13","99.99","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H84 F3 O31 P4 S Yb2 -","- C93 H84 F3 O31 P4 S Yb2 -","- C186 H168 F6 O62 P8 S2 Yb4 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","0.71073","MoKα","","0.0732","0.0595","","","0.1599","0.1694","","","","","","1.078","","","","has coordinates","219974","2020-10-21","18:00:00",""
"4514814","5.78428","0.00003","12.07053","0.00005","25.84988","0.0001","90","","90","","90","","1804.82","0.014","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","1.54184","CuKα","","0.0232","0.0229","","","0.0592","0.0594","","","","","","1.053","","","","has coordinates","219975","2020-10-21","18:00:00",""
"4514815","15.7548","0.0002","8.5218","0.0001","17.5186","0.0002","90","","91.195","0.001","90","","2351.52","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 B F15 N O -","- C25 H9 B F15 N O -","- C100 H36 B4 F60 N4 O4 -","4","1","","Meng, Shan-Shui; Tang, Xiaowen; Luo, Xiang; Wu, Ruibo; Zhao, Jun-Ling; Chan, Albert S. C.","Borane-Catalyzed Chemoselectivity-Controllable N-Alkylation and ortho C-Alkylation of Unprotected Arylamines Using Benzylic Alcohols","ACS Catalysis","2019","9","9","8397","","10.1021/acscatal.9b03038","","","1.54184","CuKα","","0.0354","0.0324","","","0.0833","0.0859","","","","","","1.06","","","","has coordinates","219976","2020-10-21","18:00:00",""
"4514816","11.7663","0.0002","12.5195","0.0002","15.6679","0.0001","101.971","0.001","95.869","0.001","117.925","0.002","1941.11","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H55 Au N O2 P -","- C44 H55 Au N O2 P -","- C88 H110 Au2 N2 O4 P2 -","2","1","","Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.","Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates","ACS Catalysis","2019","9","9","7862","","10.1021/acscatal.9b02275","","x-ray","0.71073","MoKα","","0.0325","0.0278","","","0.0569","0.0591","","","","","","1.035","","","","has coordinates","219977","2020-10-21","18:00:00",""
"4514817","12.35599","0.00018","11.5441","0.00018","17.5685","0.0003","90","","98.0363","0.0014","90","","2481.34","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Au N O2 P -","- C30 H25 Au N O2 P -","- C120 H100 Au4 N4 O8 P4 -","4","1","","Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.","Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates","ACS Catalysis","2019","9","9","7862","","10.1021/acscatal.9b02275","","x-ray","0.71073","MoKα","","0.0354","0.0299","","","0.0651","0.0691","","","","","","1.063","","","","has coordinates","219978","2020-10-21","18:00:00",""
"4514818","8.803","0.002","5.4591","0.0011","15.567","0.005","90","","104.94","0.02","90","","722.8","0.3","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O -","- C19 H20 O -","- C38 H40 O2 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","","1.54178","CuKα","","0.0562","0.0506","","","0.1385","0.1466","","","","","","1.182","","","","has coordinates","219979","2020-10-21","18:00:00",""
"4514819","9.7213","0.00019","9.12937","0.00016","12.1367","0.0003","90","","102.827","0.002","90","","1050.24","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dioxoisoindolin-2-yl (1R,2S)-2-(4-chlorophenyl)-1-phenylcyclopropane-1-carboxylate","","- C24 H16 Br N O4 -","- C24 H16 Br N O4 -","- C48 H32 Br2 N2 O8 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","x-ray","1.54184","CuKα","","0.0572","0.048","","","0.1226","0.1396","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4514820","39.582","0.003","6.6842","0.0005","13.9095","0.0008","90","","97.656","0.002","90","","3647.3","0.4","99.95","","99.95","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 N3 O -","- C25 H15 N3 O -","- C200 H120 N24 O8 -","8","1","","Tian, Cong; Dhawa, Uttam; Scheremetjew, Alexej; Ackermann, Lutz","Cupraelectro-Catalyzed Alkyne Annulation: Evidence for Distinct C‒H Alkynylation and Decarboxylative C‒H/C‒C Manifolds","ACS Catalysis","2019","9","9","7690","","10.1021/acscatal.9b02348","","","0.71073","MoKα","","0.0479","0.041","","","0.1015","0.109","","","","","","1.042","","","","has coordinates","219981","2020-10-21","18:00:00",""
"4514821","10.9605","0.0011","9.5967","0.001","11.9487","0.0013","90","","93.832","0.005","90","","1254","0.2","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1319","0.129","","","0.2936","0.3018","","","","","","1.394","","","","has coordinates","219982","2020-10-21","18:00:00",""
"4514822","23.054","0.002","8.4318","0.0009","7.3235","0.0007","90","","90","","90","","1423.6","0.2","253","2","253","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1097","0.1012","","","0.2707","0.2796","","","","","","1.041","","","","has coordinates","219983","2020-10-21","18:00:00",""
"4514823","12.827","0.002","20.383","0.003","5.0473","0.0008","90","","96.027","0.009","90","","1312.3","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1428","0.1184","","","0.2991","0.3188","","","","","","1.114","","","","has coordinates,has disorder","219984","2020-10-21","18:00:00",""
"4514824","31.2814","0.0016","6.1424","0.0004","15.8248","0.0009","90","","111.709","0.003","90","","2825","0.3","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.0875","0.0795","","","0.2191","0.2344","","","","","","1.055","","","","has coordinates,has disorder","219985","2020-10-21","18:00:00",""
"4514825","23.1742","0.0003","9.9101","0.0001","9.2756","0.0001","90","","90","","90","","2130.22","0.04","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl Cu N3 O4 -","- C19 H28 Cl Cu N3 O4 -","- C76 H112 Cl4 Cu4 N12 O16 -","4","1","","Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai","Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes.","ACS catalysis","2019","9","9","7746","7758","10.1021/acscatal.9b01520","","","1.54184","CuKα","","0.0437","0.0434","","","0.1224","0.1228","","","","","","1.051","","","","has coordinates","219986","2020-10-21","18:00:00",""
"4514826","20.5401","0.0017","12.5368","0.001","16.2915","0.0013","90","","100.551","0.001","90","","4124.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Ir N4 -","- C50 H52 Ir N4 -","- C200 H208 Ir4 N16 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0269","0.0212","","","0.0482","0.0504","","","","","","1.022","","","","has coordinates","219987","2020-10-21","18:00:00",""
"4514827","10.1805","0.0007","13.1835","0.0009","14.4356","0.001","85.2561","0.001","69.5849","0.0009","77.2239","0.0009","1770.8","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H42 Ir N6 -","- C43 H42 Ir N6 -","- C86 H84 Ir2 N12 -","2","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.024","0.0219","","","0.0533","0.0546","","","","","","1.028","","","","has coordinates","219988","2020-10-21","18:00:00",""
"4514828","14.476","0.002","14.367","0.002","34.464","0.006","90","","101.797","0.002","90","","7016.3","1.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Ir N6 -","- C41 H36 Ir N6 -","- C328 H288 Ir8 N48 -","8","2","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0679","0.0503","","","0.1129","0.1244","","","","","","1.047","","","","has coordinates","219989","2020-10-21","18:00:00",""
"4514829","11.3918","0.001","14.4386","0.0012","20.4434","0.0018","90","","99.64","0.001","90","","3315.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Ir N4 -","- C39 H45 Ir N4 -","- C156 H180 Ir4 N16 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0231","0.0173","","","0.0347","0.0365","","","","","","1.066","","","","has coordinates","219990","2020-10-21","18:00:00",""
"4514830","17.6455","0.0016","12.6291","0.0011","20.6034","0.0018","90","","111.016","0.002","90","","4286","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H55 Ir N6 -","- C49 H55 Ir N6 -","- C196 H220 Ir4 N24 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0274","0.0223","","","0.0508","0.0532","","","","","","1.094","","","","has coordinates","219991","2020-10-21","18:00:00",""
"4514831","8.3707","0.0003","11.4502","0.0004","14.6387","0.0005","90","","90","","90","","1403.06","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 N3 O3 S -","- C11 H23 N3 O3 S -","- C44 H92 N12 O12 S4 -","4","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.032","0.0292","","","0.0719","0.0733","","","","","","1.067","","","","has coordinates","219992","2020-10-21","18:00:00",""
"4514832","17.0285","0.0007","6.9101","0.0003","21.3006","0.0009","90","","90","","90","","2506.41","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C96 H144 N16 O16 S8 -","8","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.0326","0.0304","","","0.0862","0.0874","","","","","","1.056","","","","has coordinates","219993","2020-10-21","18:00:00",""
"4514833","7.0841","0.0002","14.1779","0.0005","15.2277","0.0007","98.32","0.003","100.672","0.003","103.356","0.003","1433.94","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H47 N3 O6 S -","- C29 H47 N3 O6 S -","- C58 H94 N6 O12 S2 -","2","2","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.7107","MoKα","","0.0555","0.0437","","","0.1018","0.1047","","","","","","0.97","","","","has coordinates","219994","2020-10-21","18:00:00",""
"4514834","10.2981","0.0014","7.0578","0.0009","21.651","0.003","90","","94.024","0.004","90","","1569.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71073","MoKα","","0.0566","0.0417","","","0.1051","0.1135","","","","","","1.046","","","","has coordinates","219995","2020-10-21","18:00:00",""
"4514835","15.2153","0.0013","14.9228","0.0013","18.7632","0.0015","90","","90","","90","","4260.3","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C160 H240 Cl8 N24 O24 S8 -","8","1","","Lam, Ying-Pong; Wang, Xinyan; Tan, Fei; Ng, Wing-Hin; Tse, Ying-Lung Steve; Yeung, Ying-Yeung","Amide/Iminium Zwitterionic Catalysts for (Trans)esterification: Application in Biodiesel Synthesis","ACS Catalysis","2019","9","9","8083","","10.1021/acscatal.9b01959","","","0.71073","MoKα","","0.042","0.0365","","","0.0976","0.102","","","","","","1.029","","","","has coordinates","219996","2020-10-21","18:00:00",""
"4514836","13.6328","0.0005","9.7259","0.0004","19.2323","0.0007","90","","94.976","0.003","90","","2540.42","0.17","295.16","0.1","295.16","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0635","0.0602","","","0.1612","0.1655","","","","","","1.042","","","","has coordinates","219997","2020-10-21","18:00:00",""
"4514837","37.0525","0.0008","12.0473","0.0003","10.4128","0.0002","90","","90.415","0.002","90","","4647.97","0.18","297.2","0.3","297.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C216 H216 N8 O32 S8 -","8","2","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0781","0.0603","","","0.1628","0.1779","","","","","","1.034","","","","has coordinates","219998","2020-10-21","18:00:00",""
"4514838","18.0757","0.0007","14.6438","0.0006","7.2015","0.0003","90","","101.012","0.004","90","","1871.12","0.13","294.9","0.6","294.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0658","0.0606","","","0.1603","0.1698","","","","","","1.057","","","","has coordinates","219999","2020-10-21","18:00:00",""
"4514839","10.4319","0.0004","14.2343","0.0005","29.1953","0.0012","90","","90","","90","","4335.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 B N O4 S -","- C21 H26 B N O4 S -","- C168 H208 B8 N8 O32 S8 -","8","2","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0788","0.0463","","","0.0935","0.1056","","","","","","1.039","","","","has coordinates,has disorder","220000","2020-10-21","18:00:00",""
"4514840","9.9417","0.0007","9.9417","0.0007","18.9939","0.0014","90","","90","","120","","1625.8","0.2","173","2","173","2","","","","","","","","6","P 31","P 31","144","","","","- C21 H26 B N O5 S -","- C21 H26 B N O5 S -","- C63 H78 B3 N3 O15 S3 -","3","1","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.1493","0.0588","","","0.1109","0.1359","","","","","","1.036","","","","has coordinates,has disorder","220001","2020-10-21","18:00:00",""
"4514841","9.2674","0.0005","10.7476","0.0007","28.5667","0.0016","90","","90","","90","","2845.3","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 B F3 N2 O6 S -","- C23 H36 B F3 N2 O6 S -","- C92 H144 B4 F12 N8 O24 S4 -","4","1","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0816","0.0493","","","0.0983","0.1112","","","","","","1.041","","","","has coordinates,has disorder","220002","2020-10-21","18:00:00",""
"4514842","9.999","0.002","11.964","0.002","19.292","0.004","83.01","0.03","85.8","0.03","82.27","0.03","2266.1","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H65 K N3 Si6 Y -","- C31 H65 K N3 Si6 Y -","- C62 H130 K2 N6 Si12 Y2 -","2","1","","Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao","Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation","ACS Catalysis","2019","9","9","8766","","10.1021/acscatal.9b02899","","","0.71073","MoKα","","0.0686","0.0492","","","0.1133","0.1239","","","","","","1.009","","","","has coordinates,has disorder","220003","2020-10-21","18:00:00",""
"4514843","11.344","0.002","11.734","0.002","31.997","0.006","90","","92.915","0.004","90","","4253.6","1.3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H69 K N3 O Si6 Y -","- C29 H69 K N3 O Si6 Y -","- C116 H276 K4 N12 O4 Si24 Y4 -","4","1","","Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao","Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation","ACS Catalysis","2019","9","9","8766","","10.1021/acscatal.9b02899","","","0.71073","MoKα","","0.1075","0.0909","","","0.3137","0.325","","","","","","1.037","","","","has coordinates","220004","2020-10-21","18:00:00",""
"4514844","15.336","0.001","10.1947","0.0007","24.0955","0.0013","90","","98.408","0.002","90","","3726.7","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 F6 N2 O4 Pd S4 -","- C38 H30 F6 N2 O4 Pd S4 -","- C152 H120 F24 N8 O16 Pd4 S16 -","4","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0805","0.0674","","","0.1369","0.1418","","","","","","1.361","","","","has coordinates","220005","2020-10-21","18:00:00",""
"4514845","9.0381","0.0009","10.3207","0.0012","10.3832","0.0011","68.768","0.003","89.673","0.005","88.327","0.003","902.4","0.17","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","1","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","","0.71073","MoKα","","0.0369","0.0317","","","0.0773","0.0825","","","","","","1.052","","","","has coordinates,has disorder","220006","2020-10-21","18:00:00",""
"4514846","32.753","0.003","4.888","0.0004","23.981","0.002","90","","124.967","0.008","90","","3146.2","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 S2 -","- C17 H15 N O2 S2 -","- C136 H120 N8 O16 S16 -","8","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0548","0.0439","","","0.1151","0.122","","","","","","1.051","","","","has coordinates","220007","2020-10-21","18:00:00",""
"4514847","8.6349","0.0006","9.3163","0.0004","13.5605","0.0009","70.251","0.005","85.755","0.005","83.165","0.005","1018.75","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O2 S2 -","- C22 H23 N O2 S2 -","- C44 H46 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0943","0.0757","","","0.1763","0.1909","","","","","","1.044","","","","has coordinates,has disorder","220008","2020-10-21","18:00:00",""
"4514848","19.271","0.005","4.5166","0.0009","23.345","0.007","90","","107.803","0.009","90","","1934.6","0.9","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0836","0.0511","","","0.1209","0.1394","","","","","","1.004","","","","has coordinates","220009","2020-10-21","18:00:00",""
"4514849","15.796","","15.246","","9.849","","90","","105.81","","90","","2282.17","","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 S2 -","- C24 H23 N O4 S2 -","- C96 H92 N4 O16 S8 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54184","CuKα","","0.0631","0.0471","","","0.118","0.13","","","","","","1.016","","","","has coordinates,has disorder","220010","2020-10-21","18:00:00",""
"4514850","9.7261","0.0018","10.89","0.002","11.528","0.002","65.75","0.006","69.528","0.006","86.877","0.007","1037.3","0.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C46 H52 O12 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0484","0.0387","","","0.0937","0.0993","","","","","","1.032","","","","has coordinates","220011","2020-10-21","18:00:00",""
"4514851","10.584","0.002","4.346","0.0012","40.473","0.008","90","","95.273","0.009","90","","1853.8","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N S2 -","- C23 H19 N S2 -","- C92 H76 N4 S8 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.1292","0.0996","","","0.2305","0.2467","","","","","","1.046","","","","has coordinates,has disorder","220012","2020-10-21","18:00:00",""
"4514852","7.0055","0.0002","10.2801","0.0003","13.131","0.0003","79.22","0.002","84.888","0.002","80.238","0.002","913.91","0.04","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F N O2 S2 -","- C20 H18 F N O2 S2 -","- C40 H36 F2 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.041","0.0371","","","0.0969","0.1009","","","","","","1.043","","","","has coordinates","220013","2020-10-21","18:00:00",""
"4514853","11.2","0.002","5.0559","0.0009","11.554","0.002","90","","115.351","0.005","90","","591.25","0.18","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O10 -","- C24 H32 O10 -","- C24 H32 O10 -","1","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0439","0.034","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","220014","2020-10-21","18:00:00",""
"4514854","8.4844","0.0007","12.3314","0.0009","12.7997","0.0011","112.337","0.006","94.171","0.005","98.558","0.006","1212.59","0.18","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O4 S2 -","- C28 H25 N O4 S2 -","- C56 H50 N2 O8 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0597","0.0515","","","0.1293","0.1403","","","","","","1.046","","","","has coordinates","220015","2020-10-21","18:00:00",""
"4514855","6.5696","0.0001","10.4589","0.0002","13.1664","0.0003","79.911","0.001","84.189","0.001","81.356","0.001","877.96","0.03","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Cl N O2 S2 -","- C19 H16 Cl N O2 S2 -","- C38 H32 Cl2 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0295","0.0279","","","0.0736","0.0751","","","","","","1.042","","","","has coordinates","220016","2020-10-21","18:00:00",""
"4514856","6.9999","0.0012","10.6761","0.0015","27.063","0.003","90","","92.75","0.01","90","","2020.1","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 S3 -","- C23 H19 N O2 S3 -","- C92 H76 N4 O8 S12 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.09","0.0584","","","0.1444","0.1621","","","","","","1.032","","","","has coordinates,has disorder","220017","2020-10-21","18:00:00",""
"4514857","11.03","0.004","5.7133","0.0018","14.591","0.005","90","","92.925","0.009","90","","918.3","0.5","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-2-((Anthracen-9-ylmethyl)amino)-2-(4-bromophenyl)acetonitrile","","","- C23 H17 Br N2 -","- C23 H17 Br N2 -","- C46 H34 Br2 N4 -","2","1","","Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions","ACS Catalysis","2019","9","9","8178","","10.1021/acscatal.9b02739","","","0.71075","MoKα","","0.0884","0.0694","","","0.1556","0.1599","","","","","","0.809","","","","has coordinates","220018","2020-10-21","18:00:00",""
"4514858","8.2877","0.0017","14.334","0.003","14.903","0.003","90","","103.09","0.03","90","","1724.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang","Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration","ACS Catalysis","2019","9","3","2610","","10.1021/acscatal.8b04934","","","0.71073","MoKα","","0.0498","0.0387","","","0.1051","0.1131","","","","","","1.06","","","","has coordinates","220019","2020-10-21","18:00:00",""
"4514859","7.5531","0.0015","28.802","0.006","8.5314","0.0017","90","","113.57","0.03","90","","1701.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 S -","- C17 H19 N O6 S -","- C68 H76 N4 O24 S4 -","4","1","","Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang","Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration","ACS Catalysis","2019","9","3","2610","","10.1021/acscatal.8b04934","","","0.71073","MoKα","","0.0573","0.0468","","","0.1165","0.1232","","","","","","1.084","","","","has coordinates","220020","2020-10-21","18:00:00",""
"4514860","8.8149","0.0005","10.4274","0.0007","12.2762","0.0008","74.663","0.002","83.855","0.002","77.212","0.002","1059.8","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 I N2 O2 Ru -","- C22 H25 I N4 Ru -","- C44 H50 I2 N8 Ru2 -","2","1","","Kumar, Abhishek; Semwal, Shrivats; Choudhury, Joyanta","Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy","ACS Catalysis","2019","9","3","2164","","10.1021/acscatal.8b04430","","","0.71073","MoKα","","0.046","0.029","","","0.0921","0.108","","","","","","0.788","","","","has coordinates","220021","2020-10-21","18:00:00",""
"4514861","8.6566","0.0005","11.3426","0.0005","16.584","0.0009","89.235","0.003","77.991","0.002","89.031","0.002","1592.41","0.14","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","4","","Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua","Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C‒N Coupling","ACS Catalysis","2019","9","3","2286","","10.1021/acscatal.8b04789","","","0.71073","MoKα","","0.0583","0.0445","","","0.086","0.0932","","","","","","1.022","","","","has coordinates,has disorder","220022","2020-10-21","18:00:00",""
"4514862","13.969","0.0005","27.1371","0.0007","6.25424","0.00018","90","","99.738","0.003","90","","2336.69","0.12","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C112 H128 N8 O8 -","4","1","","Wu, Xiao; Chen, Chentuo; Guo, Ziyang; North, Michael; Whitwood, Adrian C.","Metal- and Halide-Free Catalyst for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide","ACS Catalysis","2019","9","3","1895","","10.1021/acscatal.8b04387","","x-ray","1.54184","CuKα","","0.0504","0.0388","","","0.0942","0.1024","","","","","","1.026","","","","has coordinates","220023","2020-10-21","18:00:00",""
"4514863","11.071","0.0005","10.4143","0.0005","13.4557","0.0006","90","","105.015","0.0007","90","","1498.43","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br Mn N2 O4 -","- C13 H12 Br Mn N2 O4 -","- C52 H48 Br4 Mn4 N8 O16 -","4","1","","Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias","Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes","ACS Catalysis","2019","9","3","2091","","10.1021/acscatal.8b03548","","","0.71073","MoKα","","0.0255","0.0223","","","0.0491","0.0501","","","","","","1.124","","","","has coordinates,has disorder","220024","2020-10-21","18:00:00",""
"4514864","7.1769","0.0004","9.2213","0.0005","11.5716","0.0006","85.6351","0.0018","84.0784","0.0018","82.509","0.0017","753.7","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br Mn N2 O4 -","- C15 H10 Br Mn N2 O4 -","- C30 H20 Br2 Mn2 N4 O8 -","2","1","","Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias","Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes","ACS Catalysis","2019","9","3","2091","","10.1021/acscatal.8b03548","","","0.71073","MoKα","","0.0203","0.0186","","","0.0498","0.0508","","","","","","1.048","","","","has coordinates","220025","2020-10-21","18:00:00",""
"4514865","10.7383","0.0006","18.1542","0.0008","7.5303","0.0004","90","","90","","90","","1468","0.13","210","2","210","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","1.54178","CuKα","","0.0576","0.0533","","","0.1451","0.1509","","","","","","1.046","","","","has coordinates","220026","2020-10-21","18:00:00",""
"4514866","9.72","0.002","7.5084","0.0018","16.171","0.004","90","","94.588","0.007","90","","1176.4","0.5","120","2","120.02","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C54 H64 O6 -","2","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","0.71073","MoKα","","0.11","0.0554","","","0.1149","0.1346","","","","","","1.064","","","","has coordinates","220027","2020-10-21","18:00:00",""
"4514867","10.5383","0.0013","19.337","0.002","7.9828","0.001","90","","92.029","0.004","90","","1625.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N3 O3 -","- C18 H12 F3 N3 O3 -","- C72 H48 F12 N12 O12 -","4","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","0.71073","MoKα","","0.1302","0.0688","","","0.182","0.2398","","","","","","1.101","","","","has coordinates","220028","2020-10-21","18:00:00",""
"4514868","13.3161","0.0005","14.0105","0.0006","15.2863","0.0006","72.192","0.003","64.226","0.002","62.74","0.002","2262.59","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 N Ni O P2 -","- C50 H39 N Ni O P2 -","- C100 H78 N2 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0616","0.0415","","","0.1034","0.1127","","","","","","1.015","","","","has coordinates","220029","2020-10-21","18:00:00",""
"4514869","9.5744","0.0003","11.9148","0.0005","18.1503","0.0007","102.462","0.002","103.789","0.002","97.605","0.002","1926.26","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 N Ni O P2 -","- C49 H39 N Ni O P2 -","- C98 H78 N2 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0621","0.04","","","0.0913","0.1001","","","","","","1.035","","","","has coordinates","220029","2020-10-21","18:00:00",""
"4514870","20.6558","0.0015","9.9242","0.0009","22.517","0.0013","90","","109.612","0.005","90","","4348","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Ni P3 -","- C54 H47 Ni P3 -","- C216 H188 Ni4 P12 -","4","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.1244","0.0618","","","0.127","0.1511","","","","","","1.096","","","","has coordinates","220029","2020-10-21","18:00:00",""
"4514871","10.3659","0.0004","14.4217","0.0006","16.331","0.0007","102.781","0.0013","99.4257","0.0013","110.567","0.0013","2149.77","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.5 H46 Ni O P2 -","- C54.5 H46 Ni O P2 -","- C109 H92 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0611","0.0379","","","0.0855","0.0947","","","","","","1.012","","","","has coordinates,has disorder","220029","2020-10-21","18:00:00",""
"4514872","15.8225","0.0007","19.4848","0.0009","21.1157","0.001","70.092","0.003","81.078","0.003","72.501","0.002","5827.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C210 H154 Br2 Cu6 F18 N30 O24 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","1","0.5","","Prakasam, Thirumurugan; Devaraj, Anthonisamy; Saha, Rupak; Lusi, Matteo; Brandel, Jeremy; Esteban-Gómez, David; Platas-Iglesias, Carlos; Olson, Mark Anthony; Mukherjee, Partha Sarathi; Trabolsi, Ali","Metal‒Organic Self-Assembled Trefoil Knots for C—Br Bond Activation","ACS Catalysis","2019","9","3","1907","","10.1021/acscatal.8b04650","","","1.54178","CuKα","","0.1278","0.1101","","","0.3088","0.3225","","","","","","1.364","","","","has coordinates","220030","2020-10-21","18:00:00",""
"4514873","15.378","0.003","15.378","0.003","5.9449","0.0015","90","","90","","120","","1217.5","0.5","100","2","100","2","","","","","","","","3","P 3","P 3","143","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C54 H84 O6 -","3","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.1388","0.0963","","","0.222","0.2477","","","","","","1.075","","","","has coordinates,has disorder","220031","2020-10-21","18:00:00",""
"4514874","15.4852","0.0008","15.4852","0.0008","26.1457","0.0016","90","","90","","90","","6269.5","0.6","100","2","100","2","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- C19 H26 O -","- C19 H26 O -","- C304 H416 O16 -","16","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.0701","0.0466","","","0.0968","0.1096","","","","","","1.065","","","","has coordinates,has disorder","220032","2020-10-21","18:00:00",""
"4514875","8.787","0.004","11.718","0.005","14.849","0.007","90","","95.361","0.008","90","","1522.3","1.2","105","2","105","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.1216","0.0677","","","0.1469","0.1673","","","","","","1.032","","","","has coordinates","220033","2020-10-21","18:00:00",""
"4514876","7.1039","0.0018","11.823","0.003","19.698","0.005","90","","90","","90","","1654.4","0.7","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Zhang, Lin-Bao; Zhu, Ming-Hui; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming","Silver-Mediated Indole (4 + 2) Dearomative Annulation with N-Radicals: A Strategy To Construct Heterocycle-Fused Indolines","ACS Catalysis","2019","9","3","1680","","10.1021/acscatal.8b04933","","","0.71073","MoKα","","0.037","0.0365","","","0.0939","0.0943","","","","","","1.11","","","","has coordinates","220034","2020-10-21","18:00:00",""
"4514877","27.6888","0.0008","8.415","0.0003","21.6977","0.0007","90","","90.427","0.003","90","","5055.5","0.3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 O2 Si -","- C27 H31 O2 Si -","- C216 H248 O16 Si8 -","8","1","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","1.54184","CuKα","","0.083","0.0662","","","0.1942","0.2152","","","","","","1.032","","","","has coordinates","220035","2020-10-21","18:00:00",""
"4514878","10.8692","0.0003","13.9222","0.0004","17.5154","0.0005","90","","90","","90","","2650.49","0.13","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O S Si -","- C30 H32 O S Si -","- C120 H128 O4 S4 Si4 -","4","1","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","0.71073","MoKα","","0.0515","0.0402","","","0.0977","0.1055","","","","","","1.035","","","","has coordinates","220036","2020-10-21","18:00:00",""
"4514879","7.3547","0.0003","43.2835","0.0016","8.7345","0.0004","90","","93.821","0.004","90","","2774.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 N O Si -","- C32 H33 N O Si -","- C128 H132 N4 O4 Si4 -","4","2","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","1.54184","CuKα","","0.1021","0.0858","","","0.2395","0.2692","","","","","","1.032","","","","has coordinates","220037","2020-10-21","18:00:00",""
"4514880","11.5014","0.0009","12.237","0.001","12.4559","0.0009","61.15","0.002","71.428","0.003","73.307","0.003","1436.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Br Mn N2 O9 P2 -","- C23 H30 Br Mn N2 O9 P2 -","- C46 H60 Br2 Mn2 N4 O18 P4 -","2","1","","Woo, Sung-Jun; Choi, Sunghan; Kim, So-Yoen; Kim, Pil Soo; Jo, Ju Hyoung; Kim, Chul Hoon; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Highly Selective and Durable Photochemical CO2 Reduction by Molecular Mn(I) Catalyst Fixed on a Particular Dye-Sensitized TiO2 Platform","ACS Catalysis","2019","9","3","2580","","10.1021/acscatal.8b03816","","","0.71073","MoKα","","0.0657","0.0443","","","0.105","0.1162","","","","","","1.028","","","","has coordinates","220038","2020-10-21","18:00:00",""
"4514881","20.647","0.0006","10.3884","0.0002","17.2385","0.0005","90","","114.021","0.004","90","","3377.26","0.19","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br2 O5 -","- C17 H16 Br2 O5 -","- C136 H128 Br16 O40 -","8","2","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","x-ray","1.54184","CuKα","","0.0625","0.0528","","","0.1519","0.1666","","","","","","1.093","","","","has coordinates,has disorder","220039","2020-10-21","18:00:00",""
"4514882","6.1976","0.0017","17.271","0.005","7.158","0.002","90","","103.688","0.003","90","","744.4","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Cl O5 -","- C17 H15 Cl O5 -","- C34 H30 Cl2 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0284","0.0282","","","0.0719","0.0722","","","","","","1.072","","","","has coordinates","220040","2020-10-21","18:00:00",""
"4514883","11.584","0.0004","7.7058","0.0002","15.1367","0.0005","90","","109.376","0.004","90","","1274.63","0.08","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 Br N2 O5 -","- C30 H25 Br N2 O5 -","- C60 H50 Br2 N4 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0385","0.0364","","","0.0873","0.0886","","","","","","1.053","","","","has coordinates","220041","2020-10-21","18:00:00",""
"4514884","6.0801","0.0012","8.1103","0.0016","22.242","0.004","90","","90","","90","","1096.8","0.4","153","2","153.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.1093","0.0867","","","0.1516","0.1675","","","","","","1.131","","","","has coordinates","220042","2020-10-21","18:00:00",""
"4514885","8.7971","0.0003","17.2916","0.0007","20.3839","0.0008","90","","90","","90","","3100.7","0.2","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N3 O8 S -","- C33 H33 N3 O8 S -","- C132 H132 N12 O32 S4 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0846","0.0674","","","0.125","0.1328","","","","","","1.1","","","","has coordinates","220043","2020-10-21","18:00:00",""
"4514886","6.2963","0.0018","32.789","0.009","11.523","0.003","90","","100.644","0.003","90","","2338","1.1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O7 -","- C27 H26 Cl N O7 -","- C108 H104 Cl4 N4 O28 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0576","0.0524","","","0.1141","0.1177","","","","","","1.113","","","","has coordinates","220044","2020-10-21","18:00:00",""
"4514887","6.0855","0.0012","12.683","0.003","13.554","0.003","90","","93.29","0.03","90","","1044.4","0.4","173","2","173.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0346","0.0337","","","0.0805","0.0815","","","","","","1.042","","","","has coordinates","220045","2020-10-21","18:00:00",""
"4514888","11.7248","0.0012","13.6488","0.0013","19.0159","0.0019","90","","90","","90","","3043.1","0.5","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 F6 N2 O8 -","- C27.999 H26 F5.997 N2 O8 -","- C111.996 H104 F23.988 N8 O32 -","4","1","","Sletten, Eric T.; Tu, Yi-Jung; Schlegel, H. Bernhard; Nguyen, Hien M.","Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate","ACS Catalysis","2019","9","3","2110","","10.1021/acscatal.8b04444","","","0.71073","MoKα","","0.0782","0.0439","","","0.0898","0.1058","","","","","","1.014","","","","has coordinates,has disorder","220046","2020-10-21","18:00:00",""
"4514889","7.6912","0.0012","23.747","0.004","7.518","0.0013","90","","90","","90","","1373.1","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N S -","- C16 H12 Cl N S -","- C64 H48 Cl4 N4 S4 -","4","1","","Wang, Huamin; Li, Yongli; Lu, Qingquan; Yu, Mingming; Bai, Xudong; Wang, Shengchun; Cong, Hengjiang; Zhang, Heng; Lei, Aiwen","Oxidation-Induced β-Selective C‒H Bond Functionalization: Thiolation and Selenation of N-Heterocycles","ACS Catalysis","2019","9","3","1888","","10.1021/acscatal.8b05054","","","1.54178","CuKα","","0.052","0.0516","","","0.1498","0.1504","","","","","","1.155","","","","has coordinates","220047","2020-10-21","18:00:00",""
"4514890","11.654","0.003","14.455","0.003","13.866","0.003","90","","98.639","0.006","90","","2309.3","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 Mn O3 P2 -","- C20 H39 Mn O3 P2 -","- C80 H156 Mn4 O12 P8 -","4","1","","Weber, Stefan; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Rethinking Basic Concepts—Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes","ACS Catalysis","2019","","","9715","","10.1021/acscatal.9b03963","","","0.71073","MoKα","","0.0533","0.036","","","0.08","0.0866","","","","","","1.029","","","","has coordinates","220048","2020-10-21","18:00:00",""
"4514891","31.69","0.008","12.063","0.005","34.405","0.005","90","","109.475","0.013","90","","12400","6","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H121.28 F24 Fe4 N24.43 O27 S8 -","- C92 H121.281 F24 Fe4 N24.427 O27 S8 -","- C368 H485.125 F96 Fe16 N97.708 O108 S32 -","4","1","","Zott, Michael D.; Garrido-Barros, Pablo; Peters, Jonas C.","Electrocatalytic Ammonia Oxidation Mediated by a Polypyridyl Iron Catalyst","ACS Catalysis","2019","","","10101","","10.1021/acscatal.9b03499","","","1.54178","CuKα","","0.0812","0.0739","","","0.1588","0.1623","","","","","","1.097","","","","has coordinates,has disorder","220049","2020-10-21","18:00:00",""
"4514892","10.0468","0.0005","14.4215","0.0007","20.9082","0.0011","90","","90","","90","","3029.4","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al Cl9 Ga2 N6 -","- C12 H18 Al Cl9 Ga2 N6 -","- C48 H72 Al4 Cl36 Ga8 N24 -","4","1","","Li, Kai; Choudhary, Hemant; Mishra, Manish Kumar; Rogers, Robin D.","Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation","ACS Catalysis","2019","","","9789","","10.1021/acscatal.9b03132","","","0.71073","MoKα","","0.0937","0.0697","","","0.213","0.2362","","","","","","1.066","","","","has coordinates","220050","2020-10-21","18:00:00",""
"4514893","19.6581","0.0013","8.4966","0.0004","27.1209","0.0015","90","","90","","90","","4529.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","14-(4-ethylbenzoyl)-4a,8-dimethyl-3,4,4a,6,7,13a-hexahydro-4,7-methanobenzo[2,3][1,4]oxazepino[4,5- a]indol-2(1 H)-one","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C224 H232 N8 O24 -","8","1","","Thopate, Satish B.; Jadhav, Sandip B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Stereoselective Desymmetrization of Cyclohexadienone-Tethered Enones: Efficient Access to Highly Strained Polycyclic Indoles","ACS Catalysis","2019","","","10012","","10.1021/acscatal.9b03560","","","0.71073","MoKα","","0.1703","0.066","","","0.1493","0.1989","","","","","","1.001","","","","has coordinates","220051","2020-10-21","18:00:00",""
"4514894","10.013","0.0002","7.4903","0.0002","22.9488","0.0007","90","","98.688","0.002","90","","1701.42","0.08","93","2","93","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Li, Junqi; Grosslight, Samantha; Miller, Scott J.; Sigman, Matthew S.; Toste, F. Dean","Site-Selective Acylation of Natural Products with BINOL-Derived Phosphoric Acids","ACS Catalysis","2019","","","9794","","10.1021/acscatal.9b03535","","","1.54184","CuKα","","0.0338","0.0337","","","0.085","0.085","","","","","","1.142","","","","has coordinates","220052","2020-10-21","18:00:00",""
"4514895","10.8454","0.0002","15.0719","0.0003","21.848","0.0004","90","","90","","90","","3571.29","0.12","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 B P -","- C21 H22 B P -","- C168 H176 B8 P8 -","8","1","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.0424","0.0419","","","0.0954","0.0957","","","","","","1.085","","","","has coordinates","220053","2020-10-21","18:00:00",""
"4514896","9.4779","0.0005","9.5662","0.0003","11.438","0.0004","69.891","0.003","65.634","0.004","67.434","0.004","850.88","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Cl2 P2 Pd -","- C38 H46 Cl2 P2 Pd -","- C38 H46 Cl2 P2 Pd -","1","0.5","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.024","0.0229","","","0.0529","0.0535","","","","","","1.045","","","","has coordinates","220054","2020-10-21","18:00:00",""
"4514897","9.4514","0.0002","18.192","0.0004","9.7634","0.0002","90","","90.35","0.002","90","","1678.69","0.06","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 B P -","- C19 H26 B P -","- C76 H104 B4 P4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.0471","0.045","","","0.0926","0.0938","","","","","","1.056","","","","has coordinates","220055","2020-10-21","18:00:00",""
"4514898","8.0198","0.0001","15.1635","0.0003","14.6975","0.0003","90","","95.659","0.002","90","","1778.63","0.06","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 B P -","- C21 H22 B P -","- C84 H88 B4 P4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.0406","0.0403","","","0.0957","0.096","","","","","","1.032","","","","has coordinates","220056","2020-10-21","18:00:00",""
"4514899","19.4343","0.0004","19.4343","0.0004","6.0779","0.0002","90","","90","","120","","1988.03","0.09","293","2","293","2","","","","","","","","4","P 31","P 31","144","","tert-butyl (2S,3R)-2-(((benzyloxy)carbonyl)oxy)-3-((tert-butoxycarbonyl)amino)-2-cyano-3-phenylpropanoate","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C81 H96 N6 O21 -","3","1","","Nanjo, Takeshi; Zhang, Xuan; Tokuhiro, Yusuke; Takemoto, Yoshiji","Divergent and Scalable Synthesis of α-Hydroxy/Keto-β-amino Acid Analogues by the Catalytic Enantioselective Addition of Glyoxylate Cyanohydrin to Imines","ACS Catalysis","2019","","","10087","","10.1021/acscatal.9b03394","","x-ray","1.54184","CuKα","","0.0702","0.0645","","","0.1746","0.1803","","","","","","1.165","","","","has coordinates","220057","2020-10-21","18:00:00",""
"4514900","7.9972","0.0003","16.3553","0.0005","18.8545","0.0006","90","","90","","90","","2466.1","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 I O4 P -","- C28 H26 I O4 P -","- C112 H104 I4 O16 P4 -","4","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","0.71073","MoKα","","0.0389","0.0347","","","0.0642","0.0674","","","","","","1.076","","","","has coordinates","220059","2020-10-21","18:00:00",""
"4514901","9.27489","0.00012","7.39505","0.0001","16.7947","0.0002","90","","94.7237","0.0012","90","","1148.01","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 O2 P -","- C28 H27 O2 P -","- C56 H54 O4 P2 -","2","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","1.54184","CuKα","","0.0311","0.0309","","","0.0813","0.0815","","","","","","1.081","","","","has coordinates","220060","2020-10-21","18:00:00",""
"4514902","7.18064","0.0001","15.0632","0.0002","19.4179","0.0003","90","","90","","90","","2100.31","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O2 P -","- C24 H27 O2 P -","- C96 H108 O8 P4 -","4","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","1.54184","CuKα","","0.0418","0.0412","","","0.1095","0.1102","","","","","","1.077","","","","has coordinates","220061","2020-10-21","18:00:00",""
"4514903","13.559","0.002","15.38","0.002","15.989","0.003","63.668","0.005","88.605","0.007","74.638","0.006","2864.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H35 Cl2 Co N6 O7.5 -","- C22 H35 Cl2 Co N6 O7.5 -","- C88 H140 Cl8 Co4 N24 O30 -","4","4","","Dolui, Dependu; Khandelwal, Shikha; Shaik, Althaf; Gaat, Deepika; Thiruvenkatam, Vijay; Dutta, Arnab","Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H2 Production Electrocatalysts","ACS Catalysis","2019","","","10115","","10.1021/acscatal.9b02953","","","0.71073","MoKα","","0.0566","0.0466","","","0.1156","0.1214","","","","","","1.035","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4514904","15.4342","0.001","23.908","0.003","16.1767","0.0012","90","","117.903","0.002","90","","5275.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 Cl2 Co N6 O6 -","- C21 H33 Cl2 Co N6 O6 -","- C168 H264 Cl16 Co8 N48 O48 -","8","2","","Dolui, Dependu; Khandelwal, Shikha; Shaik, Althaf; Gaat, Deepika; Thiruvenkatam, Vijay; Dutta, Arnab","Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H2 Production Electrocatalysts","ACS Catalysis","2019","","","10115","","10.1021/acscatal.9b02953","","","0.71073","MoKα","","0.0349","0.0292","","","0.0727","0.0757","","","","","","1.1","","","","has coordinates","220063","2020-10-21","18:00:00",""
"4515230","8.4596","0.0006","11.7043","0.0008","11.7936","0.0007","94.205","0.002","97.688","0.003","101.396","0.002","1128.42","0.13","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Co F6 I N3 Sb -","- C18 H22 Co F6 I N3 Sb -","- C36 H44 Co2 F12 I2 N6 Sb2 -","2","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0656","0.0398","","","0.1134","0.1311","","","","","","0.908","","","","has coordinates","220498","2020-10-21","18:00:00",""
"4515231","11.2569","0.0011","17.2345","0.0016","14.4525","0.0013","90","","102.365","0.005","90","","2738.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Co F12 N4 Sb2 -","- C20 H25 Co F12 N4 Sb2 -","- C80 H100 Co4 F48 N16 Sb8 -","4","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0672","0.0497","","","0.1163","0.1254","","","","","","1.03","","","","has coordinates","220499","2020-10-21","18:00:00",""
"4515232","7.941","0.0004","9.4593","0.0005","15.292","0.0007","76.521","0.002","86.356","0.002","65.536","0.002","1016.05","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 F3 N3 O3 S -","- C23 H16 F3 N3 O3 S -","- C46 H32 F6 N6 O6 S2 -","2","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0935","0.0554","","","0.148","0.172","","","","","","1.111","","","","has coordinates","220500","2020-10-21","18:00:00",""
"4515233","15.637","0.002","8.3901","0.0012","17.491","0.003","90","","94.402","0.007","90","","2288","0.6","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl2 Co I2 N3 -","- C19 H24 Cl2 Co I2 N3 -","- C76 H96 Cl8 Co4 I8 N12 -","4","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0517","0.0352","","","0.1051","0.1189","","","","","","0.847","","","","has coordinates","220501","2020-10-21","18:00:00",""
"4515234","14.118","0.0012","8.4571","0.0007","21.1896","0.0018","90","","106.515","0.003","90","","2425.6","0.4","140","2","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F3 N4 O3 S -","- C26 H21 F3 N4 O3 S -","- C104 H84 F12 N16 O12 S4 -","4","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.2011","0.1016","","","0.1442","0.1722","","","","","","1.094","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4515235","11.8576","0.0009","9.505","0.0007","31.686","0.003","90","","90","","90","","3571.2","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RD-4-34","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C144 H184 N8 O24 -","8","1","","Dhungana, Roshan K.; KC, Shekhar; Basnet, Prakash; Aryal, Vivek; Chesley, Lucas J.; Giri, Ramesh","Ni(I)-Catalyzed β,δ-Vinylarylation of γ,δ-Alkenyl α-Cyanocarboxylic Esters via Contraction of Transient Nickellacycles","ACS Catalysis","2019","","","10887","","10.1021/acscatal.9b03574","","","0.71073","MoKα","","0.09","0.0554","","","0.1144","0.1273","","","","","","1.12","","","","has coordinates","222061","2020-10-21","18:00:00",""
"4515236","12.443","0.004","7.738","0.003","16.21","0.005","90","","104.113","0.016","90","","1513.7","0.9","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 O3 -","- C19 H13 F3 O3 -","- C76 H52 F12 O12 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0446","0.0361","","","0.1028","0.1292","","","","","","1.223","","","","has coordinates","222062","2020-10-21","18:00:00",""
"4515237","9.4722","0.0007","10.8657","0.0009","14.4561","0.0011","90","","106.803","0.008","90","","1424.3","0.2","293.75","0.1","293.75","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","x-ray","0.71073","MoKα","","0.1011","0.0543","","","0.1182","0.1511","","","","","","1.045","","","","has coordinates","222063","2020-10-21","18:00:00",""
"4515238","8.1685","0.0003","19.6127","0.0008","19.5534","0.0006","90","","97.271","0.003","90","","3107.4","0.2","275.21","0.1","275.21","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N O2 -","- C19 H16 Cl N O2 -","- C152 H128 Cl8 N8 O16 -","8","2","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0844","0.0512","","","0.1068","0.1251","","","","","","1.02","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4515239","13.1381","0.0007","7.8049","0.0005","14.7103","0.0009","90","","96.826","0.005","90","","1497.72","0.16","295.25","0.1","295.25","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0809","0.0507","","","0.1124","0.1355","","","","","","1.055","","","","has coordinates","222065","2020-10-21","18:00:00",""
"4515240","6.2893","0.0005","20.9264","0.0018","11.5081","0.001","90","","98.463","0.003","90","","1498.1","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H16.741 N O2 -","- C76 H66.964 N4 O8 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0889","0.0655","","","0.1594","0.1719","","","","","","1.051","","","","has coordinates,has disorder","222066","2020-10-21","18:00:00",""
"4515241","11.687","0.006","13.565","0.007","18.665","0.009","102.623","0.009","92.254","0.004","107.835","0.01","2731","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H72 Cu N2 O6 -","- C62 H72 Cu N2 O6 -","- C124 H144 Cu2 N4 O12 -","2","1","","Jangir, Ritambhara; Ansari, Mursaleem; Kaleeswaran, Dhananjayan; Rajaraman, Gopalan; Palaniandavar, Mallayan; Murugavel, Ramaswamy","Unprecedented Copper(II) Complex with a Topoquinone-like Moiety as a Structural and Functional Mimic for Copper Amine Oxidase: Role of Copper(II) in the Genesis and Amine Oxidase Activity","ACS Catalysis","2019","","","10940","","10.1021/acscatal.9b02326","","","0.71075","MoKα","","0.1034","0.0885","","","0.167","0.1749","","","","","","1.182","","","","has coordinates","223243","2020-10-21","18:00:00",""
"4515242","21.901","0.014","24.944","0.016","29.952","0.018","90","","90","","90","","16363","18","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C42 H50 Cu N2 O2 -","- C42 H50 Cu N2 O2 -","- C672 H800 Cu16 N32 O32 -","16","0.5","","Jangir, Ritambhara; Ansari, Mursaleem; Kaleeswaran, Dhananjayan; Rajaraman, Gopalan; Palaniandavar, Mallayan; Murugavel, Ramaswamy","Unprecedented Copper(II) Complex with a Topoquinone-like Moiety as a Structural and Functional Mimic for Copper Amine Oxidase: Role of Copper(II) in the Genesis and Amine Oxidase Activity","ACS Catalysis","2019","","","10940","","10.1021/acscatal.9b02326","","","1.54187","CuKα","","0.1441","0.1263","","","0.3451","0.3622","","","","","","1.139","","","","has coordinates","223243","2020-10-21","18:00:00",""
"4515252","9.2224","0.0002","8.97","0.0002","11.92","0.0003","90","","112.477","0.0009","90","","911.17","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 N2 O3 -","- C24 H16 N2 O3 -","- C48 H32 N4 O6 -","2","1","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","1.54178","CuKα","","0.0482","0.0473","","","0.1163","0.117","","","","","","1.083","","","","has coordinates","223363","2020-10-21","18:00:00",""
"4515253","8.4139","0.0008","8.7598","0.0011","11.5432","0.0014","104.951","0.006","108.859","0.007","96.299","0.005","760.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N2 O5 S -","- C18 H12 N2 O5 S -","- C36 H24 N4 O10 S2 -","2","1","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","0.71073","MoKα","","0.0806","0.0521","","","0.1015","0.118","","","","","","1.05","","","","has coordinates","223364","2020-10-21","18:00:00",""
"4515254","9.9025","0.0007","8.5425","0.0005","26.6115","0.0016","90","","97.442","0.002","90","","2232.2","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H17 F3 N2 O4 S -","- C26 H17 F3 N2 O4 S -","- C104 H68 F12 N8 O16 S4 -","4","2","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","0.71073","MoKα","","0.079","0.0526","","","0.1003","0.116","","","","","","1.069","","","","has coordinates","223365","2020-10-21","18:00:00",""
"4515255","15.6","0.011","15.771","0.011","16.342","0.01","90","","99.93","0.03","90","","3960","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Cl3 N2 Ni O -","- C45 H31 Cl3 N2 Ni O -","- C180 H124 Cl12 N8 Ni4 O4 -","4","1","","Capdevila, Lorena; Meyer, Tjark H.; Roldán-Gómez, Steven; Luis, Josep M.; Ackermann, Lutz; Ribas, Xavi","Chemodivergent Nickel(0)-Catalyzed Arene C‒F Activation with Alkynes: Unprecedented C‒F/C‒H Double Insertion","ACS Catalysis","2019","","","11074","","10.1021/acscatal.9b03620","","","0.71073","MoKα","","0.0371","0.0287","","","0.0693","0.0744","","","","","","1.029","","","","has coordinates,has disorder","224253","2020-10-21","18:00:00",""
"4515457","11.627","0.002","11.659","0.002","15.889","0.003","85.73","0.03","77.49","0.03","69.54","0.03","1970.1","0.8","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H25 N -","- C27 H25 N -","- C108 H100 N4 -","4","2","","Tian, Jun-Jie; Zeng, Ning-Ning; Liu, Ning; Tu, Xian-Shuang; Wang, Xiao-Chen","Intramolecular Cyclizations of Vinyl-Substituted N,N-Dialkyl Arylamines Enabled by Borane-Assisted Hydride Transfer","ACS Catalysis","2018","9","1","295","","10.1021/acscatal.8b04485","","","0.71073","MoKα","","0.1331","0.0942","","","0.2298","0.2509","","","","","","1.016","","","","has coordinates","225613","2020-10-21","18:00:00",""
"4515458","12.9669","0.0004","13.874","0.0004","12.3572","0.0004","90","","93.057","0.003","90","","2219.93","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br Mn N2 O2 P -","- C25 H19 Br Mn N2 O2 P -","- C100 H76 Br4 Mn4 N8 O8 P4 -","4","1","","Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex","ACS Catalysis","2018","9","1","479","","10.1021/acscatal.8b04585","","","0.71073","MoKα","","0.02","0.0188","","","0.0445","0.0449","","","","","","1.053","","","","has coordinates,has disorder","225614","2020-10-21","18:00:00",""
"4515459","9.7663","0.0001","16.9042","0.0002","16.0896","0.0002","90","","97.951","0.001","90","","2630.72","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Mn N2 O3 P -","- C32 H26 Mn N2 O3 P -","- C128 H104 Mn4 N8 O12 P4 -","4","1","","Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex","ACS Catalysis","2018","9","1","479","","10.1021/acscatal.8b04585","","","1.54184","CuKα","","0.0372","0.0328","","","0.0798","0.0817","","","","","","1.038","","","","has coordinates","225614","2020-10-21","18:00:00",""
"4515460","8.3986","0.001","10.167","0.0012","18.964","0.0019","90","","101.38","0.004","90","","1587.5","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M.","Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds","ACS Catalysis","2018","9","1","224","","10.1021/acscatal.8b04516","","x-ray","0.71073","MoKα","","0.0691","0.0425","","","0.0934","0.103","","","","","","1.024","","","","has coordinates","225615","2020-10-21","18:00:00",""
"4515461","9.4368","0.0007","11.2965","0.0007","18.1549","0.0011","81.081","0.004","81.652","0.004","73.77","0.003","1825.2","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","2","","van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M.","Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds","ACS Catalysis","2018","9","1","224","","10.1021/acscatal.8b04516","","x-ray","1.54178","CuKα","","0.1175","0.0668","","","0.1338","0.1557","","","","","","1.023","","","","has coordinates,has disorder","225616","2020-10-21","18:00:00",""
"4515462","7.4443","0.0002","10.4007","0.0003","31.5827","0.0008","90","","90","","90","","2445.32","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 B F2 O4 Si -","- C22 H33 B F2 O4 Si -","- C88 H132 B4 F8 O16 Si4 -","4","1","","Guo, Wen-Hao; Zhao, Hai-Yang; Luo, Zhi-Ji; Zhang, Shu; Zhang, Xingang","Fluoroalkylation‒Borylation of Alkynes: An Efficient Method To Obtain (Z)-Tri- and Tetrasubstituted Fluoroalkylated Alkenylboronates","ACS Catalysis","2018","9","1","38","","10.1021/acscatal.8b02842","","","1.54178","CuKα","","0.0692","0.0659","","","0.1877","0.1919","","","","","","1.052","","","","has coordinates","225617","2020-10-21","18:00:00",""
"4515463","26.0162","0.0011","11.1134","0.0004","23.2857","0.001","90","","108.358","0.004","90","","6389.9","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 B O8 P2 Pd -","- C28 H47 B O8 P2 Pd -","- C224 H376 B8 O64 P16 Pd8 -","8","1","","Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay","Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels","ACS Catalysis","2018","9","1","301","","10.1021/acscatal.8b03894","","","0.71073","MoKα","","0.0436","0.0321","","","0.0722","0.0773","","","","","","1.069","","","","has coordinates","225618","2020-10-21","18:00:00",""
"4515464","13.2301","0.001","13.2301","0.001","38.893","0.005","90","","90","","90","","6807.7","1.1","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H15 B O2 -","- C9 H15 B O2 -","- C288 H480 B32 O64 -","32","1","","Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay","Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels","ACS Catalysis","2018","9","1","301","","10.1021/acscatal.8b03894","","","1.54184","CuKα","","0.148","0.0881","","","0.2151","0.2555","","","","","","1.03","","","","has coordinates","225619","2020-10-21","18:00:00",""
"4515465","8.473","0.0001","17.4446","0.0003","9.0374","0.0001","90","","94.072","0.001","90","","1332.43","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","","Fu, Niankai; Shen, Yifan; Allen, Anthony R.; Song, Lu; Ozaki, Atsushi; Lin, Song","Mn-Catalyzed Electrochemical Chloroalkylation of Alkenes.","ACS catalysis","2019","9","1","746","754","10.1021/acscatal.8b03209","","x-ray","1.54184","CuKα","","0.0453","0.0441","","","0.1124","0.1132","","","","","","1.072","","","","has coordinates","225620","2020-10-21","18:00:00",""
"4515466","11.8498","0.0001","9.5906","0.0001","14.708","0.0002","90","","96.008","0.001","90","","1662.33","0.03","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 F3 N O4 -","- C18 H14 F3 N O4 -","- C72 H56 F12 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0441","0.0408","","","0.1144","0.1176","","","","","","1.064","","","","has coordinates,has disorder","225621","2020-10-21","18:00:00",""
"4515467","13.5517","0.0003","9.2461","0.0001","11.8061","0.0003","90","","106.796","0.002","90","","1416.2","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0478","0.0458","","","0.1229","0.1249","","","","","","1.051","","","","has coordinates","225622","2020-10-21","18:00:00",""
"4515468","9.8665","0.0007","19.0145","0.0013","31.36","0.002","90","","90","","90","","5883.3","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H79 N6 O15 P -","- C60 H79 N6 O15 P -","- C240 H316 N24 O60 P4 -","4","1","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0565","0.0476","","","0.1271","0.1348","","","","","","1.048","","","","has coordinates","225623","2020-10-21","18:00:00",""
"4515469","22.7393","0.0008","5.2121","0.0001","14.2943","0.0004","90","","93.045","0.003","90","","1691.76","0.08","93","2","93","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C17 H14 Br N O4 -","- C17 H14 Br N O4 -","- C68 H56 Br4 N4 O16 -","4","1","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0393","0.0375","","","0.0952","0.0969","","","","","","1.04","","","","has coordinates","225624","2020-10-21","18:00:00",""
"4515470","10.8042","0.0002","8.4963","0.0001","15.825","0.0003","90","","103.232","0.002","90","","1414.1","0.04","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0301","0.0294","","","0.0723","0.0728","","","","","","1.107","","","","has coordinates,has disorder","225625","2020-10-21","18:00:00",""
"4515471","9.806","0.0008","14.9855","0.0012","21.2136","0.0018","89.141","0.002","86.664","0.002","88.303","0.002","3110.4","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","4","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","0.7749","Synchrotron","","0.084","0.0568","","","0.1279","0.1411","","","","","","1.053","","","","has coordinates","225626","2020-10-21","18:00:00",""
"4515472","26.466","0.002","17.7566","0.0012","22.8328","0.0016","90","","124.789","0.001","90","","8812.3","1.1","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N7 O7 -","- C36 H57 N7 O7 -","- C288 H456 N56 O56 -","8","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0492","0.0435","","","0.12","0.1245","","","","","","1.038","","","","has coordinates,has disorder","225627","2020-10-21","18:00:00",""
"4515473","13.76","0.0003","7.1297","0.0002","34.2631","0.0007","90","","90","","90","","3361.37","0.14","110","0.14","110","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C160 H184 N8 O16 -","8","1","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.0592","0.0479","","","0.1173","0.1251","","","","","","1.044","","","","has coordinates","225628","2020-10-21","18:00:00",""
"4515474","7.38319","0.0001","26.3138","0.0004","19.6731","0.0003","90","","93.6518","0.0013","90","","3814.33","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45.67 H35.35 Cl3.35 N2 O2 -","- C45.675 H35.3508 Cl3.35 N2 O2 -","- C182.7 H141.403 Cl13.4 N8 O8 -","4","0.5","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.049","0.045","","","0.1154","0.1189","","","","","","1.053","","","","has coordinates,has disorder","225629","2020-10-21","18:00:00",""
"4515475","11.5","0.007","14.765","0.009","34.41","0.02","90","","90","","90","","5843","6","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Mn N3 O5 P2 S -","- C22 H40 Mn N3 O5 P2 S -","- C176 H320 Mn8 N24 O40 P16 S8 -","8","1","","Bertini, Federica; Glatz, Mathias; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca","Carbon Dioxide Reduction to Methanol Catalyzed by Mn(I) PNP Pincer Complexes under Mild Reaction Conditions","ACS Catalysis","2018","9","1","632","","10.1021/acscatal.8b04106","","","0.71073","MoKα","","0.0714","0.0461","","","0.0923","0.1029","","","","","","1.04","","","","has coordinates,has disorder","225630","2020-10-21","18:00:00",""
"4515476","8.9763","0.0018","10.84","0.002","11.572","0.002","109.84","0.03","99.23","0.03","93.29","0.03","1037.8","0.4","128.15","","128.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N -","- C27 H29 N -","- C54 H58 N2 -","2","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.0592","0.0468","","","0.1196","0.1363","","","","","","1.034","","","","has coordinates","225631","2020-10-21","18:00:00",""
"4515477","9.616","0.003","10.433","0.004","13.436","0.005","100.936","0.008","95.927","0.007","95.808","0.008","1306.3","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 N Sc Si2 -","- C23 H40 N Sc Si2 -","- C46 H80 N2 Sc2 Si4 -","2","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.0309","0.028","","","0.0839","0.085","","","","","","1.096","","","","has coordinates","225632","2020-10-21","18:00:00",""
"4515478","19.003","0.004","10.452","0.002","8.8763","0.0018","90","","96.73","0.03","90","","1750.9","0.6","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H24 F6 N P -","- C15 H24 F6 N P -","- C60 H96 F24 N4 P4 -","4","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.1114","0.1036","","","0.2987","0.3075","","","","","","1.152","","","","has coordinates,has disorder","225633","2020-10-21","18:00:00",""
"4515479","18.0106","0.0008","9.0679","0.0004","19.7109","0.0009","90","","96.859","0.002","90","","3196.1","0.2","101","2","101.05","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 B F18 N6 Rh -","- C29 H20 B F18 N6 Rh -","- C116 H80 B4 F72 N24 Rh4 -","4","1","","Avullala, Thirupataiah; Asgari, Parham; Hua, Yuanda; Bokka, Apparao; Ridlen, Shawn G.; Yum, Kyungsuk; Dias, H. V. Rasika; Jeon, Junha","Umpolung <i>α</i>-Silylation of Cyclopropyl Acetates via Low-Temperature Catalytic C-C Activation.","ACS catalysis","2019","9","1","402","408","10.1021/acscatal.8b04252","","","0.71073","MoKα","","0.0272","0.0237","","","0.0564","0.0579","","","","","","1.064","","","","has coordinates","225634","2020-10-21","18:00:00",""
"4515480","19.3364","0.0002","10.43031","0.00012","16.58648","0.00019","90","","95.7369","0.001","90","","3328.48","0.06","100.02","0.1","100.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N1-(2,6-Bis-(3-pentyl)phenyl)-N2-benzyl)-2-imidazolidinylidene] (2-isopropoxyphenylmethylene)ruthenium(II) chloride","","- C36 H48 Cl2 N2 O Ru -","- C36 H48 Cl2 N2 O Ru -","- C144 H192 Cl8 N8 O4 Ru4 -","4","1","","Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol","Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application","ACS Catalysis","2018","9","1","587","","10.1021/acscatal.8b04783","","","0.71073","MoKα","","0.0348","0.0283","","","0.0662","0.0704","","","","","","1.111","","","","has coordinates","225635","2020-10-21","18:00:00",""
"4515481","13.16","0.0002","10.12687","0.00013","37.8176","0.0006","90","","98.1376","0.0015","90","","4989.19","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N1-(2,6-Bis-(diphenylmethyl)-4-methylphenyl)-N2-benzyl)-2-imidazolidinylidene] (2-isopropoxyphenylmethylene)ruthenium(II) chloride","","- C53 H50 Cl2 N2 O Ru -","- C53 H50 Cl2 N2 O Ru -","- C212 H200 Cl8 N8 O4 Ru4 -","4","1","","Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol","Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application","ACS Catalysis","2018","9","1","587","","10.1021/acscatal.8b04783","","x-ray","0.71073","MoKα","","0.0856","0.0749","","","0.1517","0.1561","","","","","","1.2","","","","has coordinates,has disorder","225636","2020-10-21","18:00:00",""
"4515482","11.6704","0.0003","12.4895","0.0004","24.8148","0.0007","90","","90","","90","","3616.94","0.18","83","","83","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Br N3 O7 -","- C41 H48 Br N3 O7 -","- C164 H192 Br4 N12 O28 -","4","1","","Paria, Suva; Kang, Qi-Kai; Hatanaka, Miho; Maruoka, Keiji","Design of Efficient Chiral Bifunctional Phase-Transfer Catalysts Possessing an Amino Functionality for Asymmetric Aminations","ACS Catalysis","2018","9","1","78","","10.1021/acscatal.8b03292","","","1.54187","CuKα","","0.0463","0.0412","","","0.1115","0.1187","","","","","","0.903","","","","has coordinates","225637","2020-10-21","18:00:00",""
"4515483","14.9159","0.0005","18.747","0.0007","20.4012","0.0009","90","","90","","90","","5704.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 N2 Ni -","- C71 H72 N2 Ni -","- C284 H288 N8 Ni4 -","4","1","","Cai, Yuan; Zhang, Jia-Wen; Li, Feng; Liu, Jia-Ming; Shi, Shi-Liang","Nickel/N-Heterocyclic Carbene Complex-Catalyzed Enantioselective Redox-Neutral Coupling of Benzyl Alcohols and Alkynes to Allylic Alcohols","ACS Catalysis","2018","9","1","1","","10.1021/acscatal.8b04198","","","0.71073","MoKα","","0.0618","0.042","","","0.0824","0.0931","","","","","","1.029","","","","has coordinates","225638","2020-10-21","18:00:00",""
"4515484","9.0036","0.0009","10.9036","0.0011","11.9944","0.0012","103.063","0.005","98.741","0.005","91.068","0.005","1132","0.2","293","","298","","","","","","","","","5","P 1","P 1","1","","YSB-!","","- C23 H22 N2 O4 S2 -","- C23 H22 N2 O4 S2 -","- C46 H44 N4 O8 S4 -","2","2","","Yang, Shengbiao; Wang, Lihong; Zhang, Hongwei; Liu, Chunyang; Zhang, Linli; Wang, Xiaomin; Zhang, Ge; Li, Yan; Zhang, Qian","Copper-Catalyzed Asymmetric Aminocyanation of Arylcyclopropanes for Synthesis of γ-Amino Nitriles","ACS Catalysis","2018","9","1","716","","10.1021/acscatal.8b03768","","","1.54184","CuKα","","0.0519","0.0391","","","0.0886","0.0966","","","","","","1.044","","","","has coordinates","225639","2020-10-21","18:00:00",""
"4515485","12.09","0.001","15.2246","0.0014","20.0614","0.0018","90","","91.35","0.008","90","","3691.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 F2 I P2 Pd -","- C37 H31 F2 I P2 Pd -","- C148 H124 F8 I4 P8 Pd4 -","4","0.5","","Hori, Kaishi; Motohashi, Hirotaka; Saito, Daichi; Mikami, Koichi","Precatalyst Effects on Pd-Catalyzed Cross-Coupling Difluoromethylation of Aryl Boronic Acids","ACS Catalysis","2018","9","1","417","","10.1021/acscatal.8b03892","","x-ray","1.54184","CuKα","","0.1084","0.0958","","","0.1803","0.1902","","","","","","1.055","","","","has coordinates,has disorder","225640","2020-10-21","18:00:00",""
"4515486","16.49","0.002","22.606","0.002","13.5064","0.0017","90","","90.007","0.005","90","","5034.8","1","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 F16 Ir N4 P -","- C56 H34 F16 Ir N4 P -","- C224 H136 F64 Ir4 N16 P4 -","4","0.5","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.0349","0.0275","","","0.061","0.0649","","","","","","1.085","","","","has coordinates","225641","2020-10-21","18:00:00",""
"4515487","11.7565","0.0016","12.8586","0.0017","18.657","0.003","81.314","0.005","80.238","0.005","73.409","0.004","2648.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C49 H32 Cl2 F16 Ir N4 P -","- C49 H32 Cl2 F16 Ir N4 P -","- C98 H64 Cl4 F32 Ir2 N8 P2 -","2","1","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.1042","0.0852","","","0.2189","0.2363","","","","","","1.12","","","","has coordinates,has disorder","225642","2020-10-21","18:00:00",""
"4515488","26.5472","0.0011","26.5472","","38.495","0.0018","90","","90","","120","","23494.8","1.5","150","2","150","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C56 H34 F16 Ir N4 P -","- C56 H34 F16 Ir N4 P -","- C1008 H612 F288 Ir18 N72 P18 -","18","1","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.0923","0.0714","","","0.1759","0.19","","","","","","1.04","","","","has coordinates","225643","2020-10-21","18:00:00",""
"4515489","9.6279","0.0006","10.9013","0.0006","17.0857","0.001","98.271","0.003","102.568","0.003","108.408","0.003","1616.39","0.17","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Al Cl N3 Si3 -","- C27 H43 Al Cl N3 Si3 -","- C54 H86 Al2 Cl2 N6 Si6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0806","0.0594","","","0.1581","0.1719","","","","","","1.05","","","","has coordinates,has disorder","225644","2020-10-21","18:00:00",""
"4515490","7.3795","0.0004","13.4511","0.0007","21.1096","0.0011","90","","90","","90","","2095.39","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Al N3 -","- C24 H24 Al N3 -","- C96 H96 Al4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0939","0.0537","","","0.1143","0.1352","","","","","","1.037","","","","has coordinates,has disorder","225645","2020-10-21","18:00:00",""
"4515491","8.9033","0.001","22.602","0.003","8.763","0.001","90","","100.967","0.003","90","","1731.2","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Al Cl N3 -","- C18 H19 Al Cl N3 -","- C72 H76 Al4 Cl4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1104","0.0651","","","0.1218","0.1404","","","","","","1.035","","","","has coordinates,has disorder","225646","2020-10-21","18:00:00",""
"4515492","9.0364","0.0003","10.9957","0.0004","16.5417","0.0006","91.033","0.002","97.953","0.002","107.345","0.002","1550.72","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H44 Al N4 -","- C35 H44 Al N4 -","- C70 H88 Al2 N8 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1333","0.0585","","","0.1091","0.1342","","","","","","1.011","","","","has coordinates","225647","2020-10-21","18:00:00",""
"4515493","9.6204","0.0004","24.1661","0.001","10.8834","0.0005","90","","94.131","0.003","90","","2523.68","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Al N3 -","- C29 H33 Al N3 -","- C116 H132 Al4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0868","0.0477","","","0.0998","0.1167","","","","","","1.032","","","","has coordinates","225648","2020-10-21","18:00:00",""
"4515494","9.2076","0.0011","12.1268","0.0014","16.763","0.002","98.513","0.007","98.865","0.007","103.694","0.006","1763.3","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H48 Al N3 Si3 -","- C33 H48 Al N3 Si3 -","- C66 H96 Al2 N6 Si6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.088","0.0566","","","0.1216","0.1447","","","","","","1.078","","","","has coordinates","225649","2020-10-21","18:00:00",""
"4515495","7.0617","0.0005","25.6486","0.0019","13.413","0.001","90","","105.218","0.005","90","","2344.2","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Al Cl4 N3 O7 -","- C15 H24 Al Cl4 N3 O7 -","- C60 H96 Al4 Cl16 N12 O28 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0584","0.0442","","","0.0906","0.0964","","","","","","1.087","","","","has coordinates","225650","2020-10-21","18:00:00",""
"4515496","9.2525","0.0008","15.9339","0.0013","17.4939","0.0014","90","","95.425","0.005","90","","2567.5","0.4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Al Cl N3 -","- C27 H37 Al Cl N3 -","- C108 H148 Al4 Cl4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0884","0.0506","","","0.1203","0.1442","","","","","","1.047","","","","has coordinates,has disorder","225651","2020-10-21","18:00:00",""
"4515497","8.9098","0.0004","9.0012","0.0005","17.5788","0.001","89.93","0.004","76.945","0.004","69.158","0.004","1278.64","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H38 Al N3 -","- C27 H38 Al N3 -","- C54 H76 Al2 N6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1311","0.0672","","","0.1356","0.1689","","","","","","1.018","","","","has coordinates,has disorder","225652","2020-10-21","18:00:00",""
"4515498","16.055","0.002","10.4568","0.0015","35.146","0.005","90","","98.496","0.009","90","","5835.7","1.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Al N3 -","- C33 H42 Al N3 -","- C264 H336 Al8 N24 -","8","2","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1651","0.1255","","","0.288","0.3144","","","","","","1.089","","","","has coordinates,has disorder","225653","2020-10-21","18:00:00",""
"4515499","39.687","0.006","12.1443","0.0019","26.344","0.004","90","","98.409","0.002","90","","12561","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H34 B2 F30 Nd Si3 -","- C57 H34 B2 F30 Nd Si3 -","- C456 H272 B16 F240 Nd8 Si24 -","8","1","","Schmidt, Bradley M.; Pindwal, Aradhana; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.","Zwitterionic Trivalent (Alkyl)lanthanide Complexes in Ziegler-Type Butadiene Polymerization","ACS Catalysis","2018","9","2","827","","10.1021/acscatal.8b04025","","","0.71073","MoKα","","0.1046","0.0669","","","0.1791","0.2179","","","","","","0.855","","","","has coordinates","225654","2020-10-21","18:00:00",""
"4515500","6.101","0.0005","7.1857","0.0006","36.046","0.004","90","","94.848","0.005","90","","1574.6","0.3","150","2","150","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1318","0.0668","","","0.1311","0.1589","","","","","","0.964","","","","has coordinates","225656","2020-10-21","18:00:00",""
"4515501","14.4785","0.0014","9.0523","0.001","16.7522","0.0019","90","","92.179","0.005","90","","2194","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H31 Cl Fe N2 -","- C23 H31 Cl Fe N2 -","- C92 H124 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1367","0.0568","","","0.1023","0.1306","","","","","","0.964","","","","has coordinates","225657","2020-10-21","18:00:00",""
"4515502","16.5485","0.0011","10.4399","0.0007","31.246","0.002","90","","90","","90","","5398.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl Fe N2 -","- C29 H35 Cl Fe N2 -","- C232 H280 Cl8 Fe8 N16 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1471","0.0647","","","0.1221","0.1478","","","","","","1.015","","","","has coordinates","225658","2020-10-21","18:00:00",""
"4515503","11.9206","0.0002","15.6644","0.0004","27.735","0.0005","90","","90","","90","","5178.93","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cl Fe N3 -","- C26 H38 Cl Fe N3 -","- C208 H304 Cl8 Fe8 N24 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0574","0.0357","","","0.079","0.0875","","","","","","1.022","","","","has coordinates","225659","2020-10-21","18:00:00",""
"4515504","12.631","0.0011","15.5444","0.0012","16.5595","0.0014","90","","105.365","0.003","90","","3135.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Fe N2 -","- C37 H40 Fe N2 -","- C148 H160 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1401","0.0569","","","0.1075","0.1325","","","","","","0.974","","","","has coordinates","225660","2020-10-21","18:00:00",""
"4515505","17.827","0.002","15.8552","0.0018","11.0869","0.0013","90","","104.133","0.006","90","","3038.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl Fe N2 -","- C25 H35 Cl Fe N2 -","- C100 H140 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1269","0.0542","","","0.1127","0.1402","","","","","","0.915","","","","has coordinates","225661","2020-10-21","18:00:00",""
"4515506","11.736","0.002","10.478","0.002","14.979","0.003","90","","102.775","0.01","90","","1796.4","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Fe2 -","- C24 H20 Fe2 -","- C96 H80 Fe8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1311","0.0607","","","0.0951","0.1148","","","","","","1.001","","","","has coordinates","225662","2020-10-21","18:00:00",""
"4515507","8.6146","0.0005","17.039","0.0011","19.7629","0.0011","90","","90","","90","","2900.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Cl Fe N2 -","- C28 H41 Cl Fe N2 -","- C112 H164 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0952","0.0519","","","0.0955","0.1091","","","","","","1.002","","","","has coordinates","225663","2020-10-21","18:00:00",""
"4515508","8.4344","0.001","22.681","0.002","15.3166","0.0016","90","","90.017","0.004","90","","2930.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl Fe N2 -","- C32 H41 Cl Fe N2 -","- C128 H164 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0732","0.0463","","","0.0941","0.104","","","","","","1.017","","","","has coordinates","225664","2020-10-21","18:00:00",""
"4515509","8.5309","0.0005","16.6841","0.0008","17.0048","0.0009","90","","91.196","0.002","90","","2419.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl Fe N2 -","- C26 H37 Cl Fe N2 -","- C104 H148 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1126","0.0548","","","0.1132","0.1329","","","","","","1.017","","","","has coordinates","225665","2020-10-21","18:00:00",""
"4515510","7.0423","0.0006","9.2936","0.0009","12.8025","0.0006","89.117","0.007","75.476","0.007","77.243","0.008","790.39","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 N O4 S -","- C19 H13 N O4 S -","- C38 H26 N2 O8 S2 -","2","1","","Shu, Chao; Shi, Chong-Yang; Sun, Qing; Zhou, Bo; Li, Tian-You; He, Qiao; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Endocyclic Vinyl Carbene Complexes via Gold-Catalyzed Oxidative Cyclization of Terminal Diynes: Toward Naphthoquinones and Carbazolequinones","ACS Catalysis","2018","9","2","1019","","10.1021/acscatal.8b04455","","","1.54184","CuKα","","0.0529","0.0458","","","0.1248","0.129","","","","","","1.115","","","","has coordinates","225666","2020-10-21","18:00:00",""
"4515511","9.633","0.009","11.189","0.01","12.051","0.013","89.56","0.04","71.1","0.04","83.22","0.04","1220","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18056AL","","","- C30 H29 Al N4 O -","- C30 H29 Al N4 O -","- C60 H58 Al2 N8 O2 -","2","1","","Mandal, Mukunda; Luke, Anna M.; Dereli, Büşra; Elwell, Courtney E.; Reineke, Theresa M.; Tolman, William B.; Cramer, Christopher J.","Computational Prediction and Experimental Verification of ε-Caprolactone Ring-Opening Polymerization Activity by an Aluminum Complex of an Indolide/Schiff-Base Ligand","ACS Catalysis","2018","9","2","885","","10.1021/acscatal.8b04540","","","0.71073","MoKα","","0.0639","0.047","","","0.1149","0.1269","","","","","","1.037","","","","has coordinates","225667","2020-10-21","18:00:00",""
"4515512","9.1036","0.0002","13.3256","0.0002","36.2038","0.0006","90","","90","","90","","4391.92","0.14","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C208 H240 N16 O24 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0615","0.0598","","","0.1593","0.1614","","","","","","1.024","","","","has coordinates","225668","2020-10-21","18:00:00",""
"4515513","9.0909","0.0003","13.2501","0.0004","36.0908","0.0012","90","","90","","90","","4347.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Br N2 O2 -","- C25 H27 Br N2 O2 -","- C200 H216 Br8 N16 O16 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0646","0.0468","","","0.1017","0.1124","","","","","","1.043","","","","has coordinates,has disorder","225669","2020-10-21","18:00:00",""
"4515514","11.446","0.0007","11.5967","0.0008","12.3843","0.0009","112.094","0.004","115.7","0.003","93.978","0.004","1318.18","0.17","175","2","175","2","","","","","","","","6","P -1","-P 1","2","shr484fs_LT","","","- C25 H38 B N O6 S -","- C25 H38 B N O6 S -","- C50 H76 B2 N2 O12 S2 -","2","1","","Kim-Lee, Shin-Ho; Alonso, Inés; Mauleón, Pablo; Arrayás, Ramón Gómez; Carretero, Juan C.","Rationalizing the Role of NaOtBu in Copper-Catalyzed Carboboration of Alkynes: Assembly of Allylic All-Carbon Quaternary Stereocenters","ACS Catalysis","2018","8","10","8993","","10.1021/acscatal.8b02123","","","0.71073","MoKα","","0.0644","0.0458","","","0.1085","0.1202","","","","","","1.025","","","","has coordinates","225670","2020-10-21","18:00:00",""
"4515515","27.4465","0.0018","6.4873","0.0004","22.0138","0.0015","90","","112.954","0.002","90","","3609.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N O4 -","- C21 H22 F N O4 -","- C168 H176 F8 N8 O32 -","8","2","","Park, Hojoon; Chekshin, Nikita; Shen, Peng-Xiang; Yu, Jin-Quan","Ligand-Enabled, Palladium-Catalyzed β-C(sp<sup>3</sup>)-H Arylation of Weinreb Amides.","ACS catalysis","2018","8","10","9292","9297","10.1021/acscatal.8b03014","","x-ray","1.54178","CuKα","","0.0414","0.0378","","","0.0987","0.1021","","","","","","1.032","","","","has coordinates","225671","2020-10-21","18:00:00",""
"4515516","11.0919","0.0007","18.3376","0.0011","21.9261","0.0013","90","","90","","90","","4459.7","0.5","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Co K N6 O11 -","- C41 H51 Co K N6 O11 -","- C164 H204 Co4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0516","0.0443","","","0.097","0.1007","","","","","","1.085","","","","has coordinates","225672","2020-10-21","18:00:00",""
"4515517","11.7651","0.0007","21.2221","0.0012","16.4682","0.0009","90","","95.468","0.001","90","","4093.1","0.4","137","2","137","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 K Mn N7 O3 -","- C45 H36 K Mn N7 O3 -","- C180 H144 K4 Mn4 N28 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0558","0.0436","","","0.1096","0.1162","","","","","","1.064","","","","has coordinates","225673","2020-10-21","18:00:00",""
"4515518","9.1381","0.0009","12.0237","0.0012","17.8361","0.0019","96.278","0.002","90.36","0.002","111.214","0.002","1813.7","0.3","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H48 N4 -","- C45 H48 N4 -","- C90 H96 N8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1174","0.0722","","","0.1863","0.2273","","","","","","1.068","","","","has coordinates","225674","2020-10-21","18:00:00",""
"4515519","11.527","0.002","13.729","0.003","27.724","0.005","90","","92.471","0.004","90","","4383.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 K Mn N4 O2 -","- C50 H55 K Mn N4 O2 -","- C200 H220 K4 Mn4 N16 O8 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0786","0.0549","","","0.1321","0.145","","","","","","0.985","","","","has coordinates","225675","2020-10-21","18:00:00",""
"4515520","12.3883","0.0015","18.995","0.002","21.656","0.003","90","","101.457","0.002","90","","4994.5","1.1","137","2","137","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C212 H190 F36 K4 Mn4 N18 O26 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1737","0.0917","","","0.1762","0.2119","","","","","","1.028","","","","has coordinates,has disorder","225676","2020-10-21","18:00:00",""
"4515521","19.36","0.003","10.0615","0.0016","29.486","0.004","90","","128.675","0.007","90","","4484","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 F9 N4 O6 -","- C48 H39 F9 N4 O6 -","- C192 H156 F36 N16 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1598","0.0628","","","0.1537","0.196","","","","","","0.949","","","","has coordinates","225677","2020-10-21","18:00:00",""
"4515522","13.4244","0.0015","15.4608","0.0017","21.041","0.002","92.203","0.002","93.474","0.001","102.805","0.001","4244.6","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H131 K Mn N4 O7 -","- C88 H131 K Mn N4 O7 -","- C176 H262 K2 Mn2 N8 O14 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1006","0.0823","","","0.2295","0.248","","","","","","1.014","","","","has coordinates,has disorder","225678","2020-10-21","18:00:00",""
"4515523","12.729","0.004","14.584","0.004","16.701","0.005","112.045","0.005","92.891","0.006","99.02","0.005","2817.9","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H45 F18 K Mn N4 O3 -","- C54 H45 F18 K Mn N4 O3 -","- C108 H90 F36 K2 Mn2 N8 O6 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1055","0.0749","","","0.2016","0.2235","","","","","","1.047","","","","has coordinates","225679","2020-10-21","18:00:00",""
"4515524","12.421","0.003","13.222","0.003","24.754","0.005","89.65","0.004","77.831","0.004","72.506","0.003","3783.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H198 Cl0 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","1","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0998","0.0714","","","0.1764","0.1953","","","","","","1.027","","","","has coordinates,has disorder","225680","2020-10-21","18:00:00",""
"4515525","11.719","0.01","12.417","0.01","21.77","0.019","91.221","0.012","100.827","0.011","100.424","0.012","3055","4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.75 H86 K Mn N4 O4 -","- C61 H77 K Mn N4 O4 -","- C122 H154 K2 Mn2 N8 O8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1269","0.0769","","","0.1804","0.2122","","","","","","0.912","","","","has coordinates","225681","2020-10-21","18:00:00",""
"4515526","12.4818","0.0015","21.792","0.003","20.039","0.002","90","","105.708","0.002","90","","5247.1","1.1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H71 K Mn N4 O4 -","- C58 H71 K Mn N4 O4 -","- C232 H284 K4 Mn4 N16 O16 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0444","0.0398","","","0.1028","0.1066","","","","","","1.053","","","","has coordinates","225682","2020-10-21","18:00:00",""
"4515527","18.3717","0.0012","10.8662","0.0007","19.0286","0.0012","90","","94.307","0.001","90","","3788","0.4","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H29 F9 K Mn N6 O5 -","- C32 H29 F9 K Mn N6 O5 -","- C128 H116 F36 K4 Mn4 N24 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.053","0.0516","","","0.1418","0.1438","","","","","","1.045","","","","has coordinates","225684","2020-10-21","18:00:00",""
"4515528","11.1683","0.0017","18.406","0.003","21.83","0.003","90","","90","","90","","4487.5","1.2","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Fe K N6 O11 -","- C41 H51 Fe K N6 O11 -","- C164 H204 Fe4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0355","0.0344","","","0.0904","0.0913","","","","","","1.037","","","","has coordinates","225685","2020-10-21","18:00:00",""
"4515529","11.391","0.0007","20.1796","0.0014","24.488","0.0018","90","","93.742","0.003","90","","5617","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Cl6 K Mn N4 O5 -","- C56 H61 Cl6 K Mn N4 O5 -","- C224 H244 Cl24 K4 Mn4 N16 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0638","0.0403","","","0.0861","0.0981","","","","","","1.022","","","","has coordinates,has disorder","225686","2020-10-21","18:00:00",""
"4515530","10.696","0.003","18.855","0.006","15.813","0.005","90","","101.378","0.005","90","","3126.4","1.7","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Co F9 K N6 O3 -","- C28 H18 Co F9 K N6 O3 -","- C112 H72 Co4 F36 K4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1054","0.0606","","","0.1398","0.17","","","","","","0.858","","","","has coordinates","225687","2020-10-21","18:00:00",""
"4515531","18.8633","0.0015","21.7465","0.0017","22.5199","0.0018","90","","102.759","0.001","90","","9009.8","1.2","136","2","136","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H118 K2 Mn2 N8 O17 -","- C86 H118 K2 Mn2 N8 O17 -","- C344 H472 K8 Mn8 N32 O68 -","4","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0764","0.0546","","","0.1354","0.1495","","","","","","1.031","","","","has coordinates","225688","2020-10-21","18:00:00",""
"4515532","9.133","0.008","29.15","0.03","16.125","0.014","90","","95.392","0.012","90","","4274","7","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F9 K N7 Ni O6 -","- C36 H39 F9 K N7 Ni O6 -","- C144 H156 F36 K4 N28 Ni4 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0805","0.0564","","","0.1475","0.1648","","","","","","1.024","","","","has coordinates,has disorder","225689","2020-10-21","18:00:00",""
"4515533","10.661","0.007","18.766","0.012","15.752","0.01","90","","100.699","0.01","90","","3097","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F9 K Mn N6 O3 -","- C28 H18 F9 K Mn N6 O3 -","- C112 H72 F36 K4 Mn4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0822","0.0668","","","0.1768","0.192","","","","","","1.098","","","","has coordinates,has disorder","225690","2020-10-21","18:00:00",""
"4515534","11.759","0.002","13.541","0.003","26.426","0.005","86.003","0.003","80.023","0.003","73.719","0.002","3977","1.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 K2 Mn2 N11 O9 -","- C78 H105 K2 Mn2 N11 O9 -","- C156 H210 K4 Mn4 N22 O18 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1206","0.1096","","","0.3163","0.3253","","","","","","1.096","","","","has coordinates","225691","2020-10-21","18:00:00",""
"4515535","5.8829","0.0002","8.228","0.0002","25.846","0.0007","90","","96.056","0.001","90","","1244.08","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Liu, Chengwei; Li, Guangchen; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Acyl and Decarbonylative Suzuki Coupling of N-Acetyl Amides: Electronic Tuning of Twisted, Acyclic Amides in Catalytic Carbon‒Nitrogen Bond Cleavage","ACS Catalysis","2018","8","10","9131","","10.1021/acscatal.8b02815","","","1.54178","CuKα","","0.0478","0.0462","","","0.1134","0.1146","","","","","","1.043","","","","has coordinates","225692","2020-10-21","18:00:00",""
"4515536","12.148","0.0008","10.6001","0.0006","19.4764","0.0012","90","","96.366","0.002","90","","2492.5","0.3","149.94","","149.94","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N2 O4 P -","- C30 H27 N2 O4 P -","- C120 H108 N8 O16 P4 -","4","1","","Meyer, Tjark H.; Oliveira, João C. A.; Sau, Samaresh Chandra; Ang, Nate W. J.; Ackermann, Lutz","Electrooxidative Allene Annulations by Mild Cobalt-Catalyzed C‒H Activation","ACS Catalysis","2018","8","10","9140","","10.1021/acscatal.8b03066","","","0.71073","MoKα","","0.0396","0.036","","","0.102","0.1049","","","","","","1.061","","","","has coordinates","225693","2020-10-21","18:00:00",""
"4515537","6.1285","0.0001","10.8042","0.0002","30.5592","0.0006","90","","90","","90","","2023.43","0.06","120","2","119.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N O2 -","- C25 H20 Cl N O2 -","- C100 H80 Cl4 N4 O8 -","4","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","1.54178","CuKα","","0.0267","0.0262","","","0.0661","0.0666","","","","","","1.045","","","","has coordinates","225694","2020-10-21","18:00:00",""
"4515538","13.288","","5.6","","14.983","","90","","114.29","","90","","1016.23","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","0.71073","MoKα","","0.0557","0.0493","","","0.1211","0.1278","","","","","","1.039","","","","has coordinates","225695","2020-10-21","18:00:00",""
"4515539","39.254","0.007","39.254","0.007","16.542","0.003","90","","90","","120","","22074","7","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo0.96 O32 S1.92 Zr6 -","- C88 H44 Mo0.96 O32 S2.24 Zr6 -","- C264 H132 Mo2.88 O96 S6.72 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1324","0.0817","","","0.2474","0.2833","","","","","","1.081","","","","has coordinates,has disorder","225696","2020-10-21","18:00:00",""
"4515540","39.4657","0.0012","39.4657","0.0012","16.3953","0.0005","90","","90","","120","","22115.1","1.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo2.24 O36.88 Zr6 -","- C88 H44 Mo2.24 O36.88 Zr6 -","- C264 H132 Mo6.72 O110.64 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1008","0.0763","","","0.2223","0.2365","","","","","","1.072","","","","has coordinates,has disorder","225697","2020-10-21","18:00:00",""
"4515541","9.0462","0.0004","11.8256","0.0005","23.9232","0.0009","90","","90","","90","","2559.23","0.18","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Wang, Jilan; Li, Yongjia; Sun, Jun; Wang, Hongling; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Enantioselective Addition of Benzylic Carbon to Unsaturated Acyl Azolium for Rapid Synthesis of Pyrrolo[3,2-c]quinolines","ACS Catalysis","2018","8","10","9859","","10.1021/acscatal.8b02651","","","0.71073","MoKα","","0.1373","0.0671","","","0.1144","0.1435","","","","","","1.014","","","","has coordinates","225698","2020-10-21","18:00:00",""
"4515542","13.7717","0.0002","11.1518","0.0001","18.9206","0.0002","90","","90","","90","","2905.81","0.06","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Ge N O3 -","- C14 H21 Ge N O3 -","- C112 H168 Ge8 N8 O24 -","8","1","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.0306","0.0288","","","0.0803","0.082","","","","","","1.054","","","","has coordinates","225699","2020-10-21","18:00:00",""
"4515543","14.8342","0.0003","13.3798","0.0003","16.4653","0.0004","90","","96.777","0.002","90","","3245.18","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl Ge N O3 -","- C14 H20 Cl Ge N O3 -","- C112 H160 Cl8 Ge8 N8 O24 -","8","2","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.05","0.0421","","","0.1081","0.1132","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4515544","8.3369","0.0016","9.3962","0.0018","14.592","0.003","100.111","0.002","103.43","0.003","98.334","0.002","1073.8","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H60 N2 -","- C54 H60 N2 -","- C54 H60 N2 -","1","0.5","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0668","0.0486","","","0.1367","0.1429","","","","","","1.38","","","","has coordinates","225701","2020-10-21","18:00:00",""
"4515545","8.8458","0.0013","14.526","0.002","9.5388","0.0014","90","","90","","90","","1225.7","0.3","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H14 F3 N O -","- C12 H14 F3 N O -","- C48 H56 F12 N4 O4 -","4","1","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0282","0.0279","","","0.1136","0.1147","","","","","","1.051","","","","has coordinates","225702","2020-10-21","18:00:00",""
"4515546","10.1611","0.0008","10.3192","0.0009","12.2146","0.001","73.14","0.0016","71.609","0.0015","61.296","0.002","1051.13","0.15","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.0873","0.0667","","","0.1643","0.1805","","","","","","1.023","","","","has coordinates,has disorder","225703","2020-10-21","18:00:00",""
"4515547","10.082","0.0006","10.316","0.0007","12.247","0.0008","73.57","0.004","71.546","0.004","61.603","0.004","1049.43","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.156","0.1083","","","0.2803","0.3236","","","","","","1.048","","","","has coordinates,has disorder","225704","2020-10-21","18:00:00",""
"4515548","8.085","0.0004","16.9819","0.0009","10.0705","0.0005","90","","110.13","0.001","90","","1298.2","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0412","0.0338","","","0.0846","0.09","","","","","","1.034","","","","has coordinates","225705","2020-10-21","18:00:00",""
"4515549","7.0746","0.0006","19.195","0.002","15.3264","0.0014","90","","100.918","0.003","90","","2043.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.048","0.0357","","","0.0868","0.0934","","","","","","1.05","","","","has coordinates","225706","2020-10-21","18:00:00",""
"4515550","33.95","0.005","8.4972","0.0012","7.9321","0.001","90","","90","","90","","2288.3","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H22 N2 O3 S -","- C27 H22 N2 O3 S -","- C108 H88 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0667","0.0427","","","0.0864","0.0975","","","","","","1.067","","","","has coordinates","225707","2020-10-21","18:00:00",""
"4515551","12.008","0.002","7.0368","0.0013","30.631","0.006","90","","92.288","0.006","90","","2586.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C104 H96 N8 O20 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.1404","0.0695","","","0.1479","0.1742","","","","","","1.024","","","","has coordinates","225708","2020-10-21","18:00:00",""
"4515552","33.457","0.006","7.1395","0.0012","20.377","0.004","90","","103.524","0.005","90","","4732.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N2 O3 S -","- C28 H28 N2 O3 S -","- C224 H224 N16 O24 S8 -","8","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0804","0.0509","","","0.1232","0.1394","","","","","","1.079","","","","has coordinates","225709","2020-10-21","18:00:00",""
"4515553","9.5004","0.0003","11.278","0.0004","11.5979","0.0003","104.256","0.002","109.363","0.002","106.026","0.003","1045.71","0.07","296.6","0.5","296.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O2 -","- C24 H22 Cl N3 O2 -","- C48 H44 Cl2 N6 O4 -","2","1","","Liu, Bingxian; Li, Jie; Hu, Panjie; Zhou, Xukai; Bai, Dachang; Li, Xingwei","Divergent Annulative C‒C Coupling of Indoles Initiated by Manganese-Catalyzed C‒H Activation","ACS Catalysis","2018","8","10","9463","","10.1021/acscatal.8b02560","","x-ray","1.54184","CuKα","","0.0733","0.0704","","","0.1852","0.1897","","","","","","1.046","","","","has coordinates","225710","2020-10-21","18:00:00",""
"4515554","9.356","0.0003","10.7541","0.0003","9.6715","0.0003","90","","96.3296","0.0015","90","","967.17","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi","Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C‒H Insertion/Diastereoselective Allylation of Diazoamides","ACS Catalysis","2018","8","8","7340","","10.1021/acscatal.8b01687","","","0.71073","MoKα","","0.0402","0.0352","","","0.0874","0.0914","","","","","","1.023","","","","has coordinates","225711","2020-10-21","18:00:00",""
"4515555","19.738","0.004","5.4134","0.0011","11.384","0.002","90","","90","","90","","1216.4","0.4","113.15","","113.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H17 B Cl N O -","- C11 H17 B Cl N O -","- C44 H68 B4 Cl4 N4 O4 -","4","1","","Yang, Ji-Min; Zhao, Yu-Tao; Li, Zi-Qi; Gu, Xue-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Gold-Catalyzed Oxidative Coupling of Terminal Alkynes and Borane Adducts: Efficient Synthesis of α-Boryl Ketones","ACS Catalysis","2018","8","8","7351","","10.1021/acscatal.8b02052","","","0.71073","MoKα","","0.0333","0.0313","","","0.0726","0.0739","","","","","","1.042","","","","has coordinates","225712","2020-10-21","18:00:00",""
"4515556","12.7987","0.0002","15.0974","0.0002","25.8586","0.0004","104.39","","95.12","","100","","4720.16","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H42 O6 Ru2 -","- C62 H42 O6 Ru2 -","- C248 H168 O24 Ru8 -","4","2","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.6888","synchrotron","","0.0265","0.024","","","0.0777","0.0794","","","","","","1.04","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515557","15.7952","0.0002","7.4857","0.0001","20.8655","0.0003","90","","100.47","","90","","2426.02","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 O3 Ru -","- C31 H22 O3 Ru -","- C124 H88 O12 Ru4 -","4","1","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.65255","synchrotron","","0.0294","0.0286","","","0.0817","0.0831","","","","","","0.952","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515558","12.6922","0.0005","13.0313","0.0005","16.647","0.0006","76.0639","0.0007","84.1498","0.0007","84.0536","0.0007","2649.46","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H75 Cl3 Fe3 N6 -","- C57 H75 Cl3 Fe3 N6 -","- C114 H150 Cl6 Fe6 N12 -","2","1","","Ferreira, Ricardo B.; Cook, Brian J.; Knight, Brian J.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J.","Catalytic Silylation of Dinitrogen by a Family of Triiron Complexes.","ACS catalysis","2018","8","8","7208","7212","10.1021/acscatal.8b02021","","","0.71073","MoKα","","0.1038","0.057","","","0.1025","0.113","","","","","","1.002","","","","has coordinates","225714","2020-10-21","18:00:00",""
"4515559","13.4325","0.0003","11.7346","0.0003","13.7646","0.0003","90","","92.32","0.001","90","","2167.87","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Mn N5 O4 -","- C21 H18 Mn N5 O4 -","- C84 H72 Mn4 N20 O16 -","4","1","","Liu, Tingting; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Manganese-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols under Phosphine-Free Conditions","ACS Catalysis","2018","8","8","7201","","10.1021/acscatal.8b01960","","","0.71073","MoKα","","0.0404","0.0337","","","0.0861","0.0911","","","","","","1.075","","","","has coordinates","225715","2020-10-21","18:00:00",""
"4515560","17.2156","0.0005","7.3295","0.0002","13.8834","0.0004","90","","90.807","0.002","90","","1751.66","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DF1104 - 18MCD006","","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C84 H104 N8 O4 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0659","0.0435","","","0.1042","0.1173","","","","","","1.024","","","","has coordinates","225716","2020-10-21","18:00:00",""
"4515561","12.2561","0.0009","9.8925","0.0007","15.8384","0.0011","90","","110.254","0.003","90","","1801.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0733","0.047","","","0.1123","0.1271","","","","","","1.049","","","","has coordinates","225717","2020-10-21","18:00:00",""
"4515562","12.411","0.002","12.765","0.003","21.416","0.004","90","","95.043","0.003","90","","3379.7","1.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Cu N3 -","- C37 H46 Cu N3 -","- C148 H184 Cu4 N12 -","4","1","","Nakamura, Kimiaki; Hara, Reina; Sunada, Yusuke; Nishikata, Takashi","Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups","ACS Catalysis","2018","8","8","6791","","10.1021/acscatal.8b01572","","","0.71075","MoKα","","0.0504","0.0446","","","0.0996","0.1029","","","","","","1.084","","","","has coordinates","225718","2020-10-21","18:00:00",""
"4515563","17.7588","0.0004","13.939","0.0003","20.7682","0.0004","90","","90","","90","","5140.96","0.19","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cu N4 O7 S2 -","- C26 H24 Cu N4 O7 S2 -","- C208 H192 Cu8 N32 O56 S16 -","8","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0352","0.0331","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","225719","2020-10-21","18:00:00",""
"4515564","7.9814","0.0003","11.0894","0.0004","11.102","0.0004","96.461","0.001","100.176","0.001","110.007","0.001","892.77","0.06","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 Cu F3 N2 O7 S2 -","- C14 H13 Cu F3 N2 O7 S2 -","- C28 H26 Cu2 F6 N4 O14 S4 -","2","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0366","0.0365","","","0.094","0.0941","","","","","","1.175","","","","has coordinates","225719","2020-10-21","18:00:00",""
"4515565","11.7373","0.0019","4.431","0.0007","21.078","0.003","90","","90","","90","","1096.2","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0724","0.0613","","","0.1482","0.1541","","","","","","1.145","","","","has coordinates","225720","2020-10-21","18:00:00",""
"4515566","6.6399","0.0003","17.0733","0.001","19.2759","0.0012","90","","90","","90","","2185.2","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0959","0.0563","","","0.1348","0.1597","","","","","","1.039","","","","has coordinates","225721","2020-10-21","18:00:00",""
"4515567","14.435","0.0008","5.4011","0.0003","16.2501","0.0009","90","","104.851","0.0019","90","","1224.62","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0714","0.0488","","","0.124","0.1423","","","","","","1.049","","","","has coordinates","225722","2020-10-21","18:00:00",""
"4515568","9.1834","0.0003","5.2643","0.0002","13.7823","0.0004","90","","107.711","0.0011","90","","634.72","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0669","0.0593","","","0.1456","0.1541","","","","","","1.045","","","","has coordinates","225723","2020-10-21","18:00:00",""
"4515569","10.5305","0.0019","11.181","0.002","20.761","0.004","101.915","0.006","91.944","0.006","94.462","0.006","2381.4","0.8","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H70 Ce N7 O8 -","- C42 H70 Ce N7 O8 -","- C84 H140 Ce2 N14 O16 -","2","1","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0267","0.0243","","","0.0583","0.0589","","","","","","1.073","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515570","11.5006","0.0006","17.4646","0.0008","20.0865","0.0009","67.599","0.003","80.635","0.004","78.648","0.004","3639.9","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 Ce N6 O8 -","- C32 H51 Ce N6 O8 -","- C128 H204 Ce4 N24 O32 -","4","2","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0233","0.0188","","","0.045","0.0464","","","","","","1.034","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515571","22.935","0.003","19.6202","0.0017","13.5095","0.0014","90","","114.142","0.002","90","","5547.4","1","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H66 Ce2 N11 O17 -","- C49 H66 Ce2 N11 O17 -","- C196 H264 Ce8 N44 O68 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0319","0.026","","","0.0656","0.0676","","","","","","1.034","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515572","15.263","0.003","27.226","0.004","17.096","0.003","90","","96.089","0.004","90","","7064","2","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H174 Ce4 N21 O32 -","- C124 H174 Ce4 N21 O32 -","- C248 H348 Ce8 N42 O64 -","2","0.25","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0999","0.0759","","","0.1652","0.1712","","","","","","1.233","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515573","27.711","0.003","19.4594","0.0018","15.5984","0.0017","90","","122.044","0.0016","90","","7129.7","1.3","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H102 Ce2 N8 O11 -","- C68 H102 Ce2 N8 O11 -","- C272 H408 Ce8 N32 O44 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0567","0.0356","","","0.0812","0.0875","","","","","","1.03","","","","has coordinates,has disorder","225724","2020-10-21","18:00:00",""
"4515574","13.746","0.004","11.435","0.003","18.615","0.006","90","","110.457","0.006","90","","2741.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KU_02_22_17","","","- C34 H30 N2 O4 -","- C34 H30 N2 O4 -","- C136 H120 N8 O16 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0445","0.0406","","","0.1054","0.1093","","","","","","1.036","","","","has coordinates","225725","2020-10-21","18:00:00",""
"4515575","12.551","0.0007","9.9456","0.0005","17.6307","0.0009","90","","106.171","0.003","90","","2113.72","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KU2_011","","","- C25 H25 N3 O Pd -","- C25 H25 N3 O Pd -","- C100 H100 N12 O4 Pd4 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0428","0.0353","","","0.0682","0.075","","","","","","1.203","","","","has coordinates","225726","2020-10-21","18:00:00",""
"4515576","5.612","0.0009","7.5305","0.0014","37.033","0.006","90","","90","","90","","1565.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C76 H68 Cl4 O4 -","4","1","","Teng, Huai-Long; Ma, Yuanhong; Zhan, Gu; Nishiura, Masayoshi; Hou, Zhaomin","Asymmetric C(sp)‒H Addition of Terminal Alkynes to Cyclopropenes by a Chiral Gadolinium Catalyst","ACS Catalysis","2018","8","5","4705","","10.1021/acscatal.8b01189","","","0.71073","MoKα","","0.0532","0.0491","","","0.1252","0.1301","","","","","","1.049","","","","has coordinates","225727","2020-10-21","18:00:00",""
"4515577","13.2573","0.0009","13.3386","0.0008","15.3535","0.001","90","","92.948","0.004","90","","2711.4","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H49 N O3 P2 Ru -","- C21 H49 N O3 P2 Ru -","- C84 H196 N4 O12 P8 Ru4 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.047","0.0376","","","0.0883","0.0927","","","","","","1.057","","","","has coordinates,has disorder","225728","2020-10-21","18:00:00",""
"4515578","15.1793","0.0005","16.5074","0.0008","16.664","0.0006","88.609","0.002","71.881","0.002","62.825","0.001","3496","0.2","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H125 N3 O10 P6 Ru3 -","- C51 H125 N3 O10 P6 Ru3 -","- C102 H250 N6 O20 P12 Ru6 -","2","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0221","0.0198","","","0.0468","0.0481","","","","","","1.036","","","","has coordinates,has disorder","225729","2020-10-21","18:00:00",""
"4515579","14.17","0.0005","15.3918","0.0006","21.741","0.0008","90","","90","","90","","4741.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H41 N O3 P2 Ru -","- C19 H41 N O3 P2 Ru -","- C152 H328 N8 O24 P16 Ru8 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0291","0.0208","","","0.0473","0.0506","","","","","","1.047","","","","has coordinates","225730","2020-10-21","18:00:00",""
"4515580","12.4393","0.0009","11.9755","0.0008","15.9077","0.0011","90","","91.637","0.002","90","","2368.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 Cl2 Mn N P2 -","- C19 H35 Cl2 Mn N P2 -","- C76 H140 Cl8 Mn4 N4 P8 -","4","1","","Brzozowska, Aleksandra; Azofra, Luis Miguel; Zubar, Viktoriia; Atodiresei, Iuliana; Cavallo, Luigi; Rueping, Magnus; El-Sepelgy, Osama","Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-Defined Manganese(II) Complex","ACS Catalysis","2018","8","5","4103","","10.1021/acscatal.8b00983","","","0.71073","MoKα","","0.024","0.0217","","","0.0583","0.06","","","","","","1.01","","","","has coordinates","225731","2020-10-21","18:00:00",""
"4515581","4.8553","0.0004","32.281","0.002","5.6773","0.0004","90","","91.788","0.001","90","","889.39","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Co O5 P -","- C7 H9 Co O5 P -","- C28 H36 Co4 O20 P4 -","4","1","","Cai, Zhong-Sheng; Shi, Yi; Bao, Song-Song; Shen, Yang; Xia, Xing-Hua; Zheng, Li-Min","Bioinspired Engineering of Cobalt-Phosphonate Nanosheets for Robust Hydrogen Evolution Reaction","ACS Catalysis","2018","8","5","3895","","10.1021/acscatal.7b04276","","","0.71073","MoKα","","0.0559","0.0339","","","0.0658","0.0721","","","","","","1.007","","","","has coordinates,has disorder","225732","2020-10-21","18:00:00",""
"4515582","10.1881","0.0007","13.7426","0.0011","20.6392","0.0016","90","","90","","90","","2889.7","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 N3 O2 P2 Re -","- C25 H40 N3 O2 P2 Re -","- C100 H160 N12 O8 P8 Re4 -","4","1","","Glatz, Mathias; Stöger, Berthold; Himmelbauer, Daniel; Veiros, Luis F.; Kirchner, Karl","Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions: Manganese Outperforms Rhenium.","ACS catalysis","2018","8","5","4009","4016","10.1021/acscatal.8b00153","","x-ray","0.71073","MoKα","","0.0764","0.0484","","","0.0991","0.1115","","","","1.18","1.18","1.11","","","","has coordinates","225733","2020-10-21","18:00:00",""
"4515583","12.047","0.005","17.64","0.007","32.956","0.013","90","","96.116","0.007","90","","6964","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H87 B N3 O2 Y -","- C72 H87 B N3 O2 Y -","- C288 H348 B4 N12 O8 Y4 -","4","1","","Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin","Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species","ACS Catalysis","2018","8","5","4465","","10.1021/acscatal.8b00600","","","0.71073","MoKα","","0.1117","0.0676","","","0.1704","0.1913","","","","","","1.017","","","","has coordinates,has disorder","225734","2020-10-21","18:00:00",""
"4515584","7.0996","0.0004","33.5115","0.0018","16.7335","0.0009","90","","90","","90","","3981.2","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.54 N O2.25 -","- C12 H6 In0.545 N O2.26 -","- C96 H48 In4.36 N8 O18.08 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0941","0.0817","","","0.2059","0.2155","","","","","","1.131","","","","has coordinates,has disorder","225735","2020-10-21","18:00:00",""
"4515585","7.125","","33.622","","16.583","","90","","90","","90","","3972.57","","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.75 N O2.73 -","- C12 H6 In0.75 N O2.732 -","- C96 H48 In6 N8 O21.856 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0445","0.0425","","","0.119","0.1202","","","","","","1.088","","","","has coordinates,has disorder","225736","2020-10-21","18:00:00",""
"4515586","7.0725","0.0001","33.2883","0.0006","16.666","0.0003","90","","90","","90","","3923.7","0.11","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C48 H24 In2 N4 Ni O10 -","- C48 H24 In2 N4 Ni O10 -","- C96 H48 In4 N8 Ni2 O20 -","2","0.125","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0453","0.0424","","","0.1285","0.1306","","","","","","1.085","","","","has coordinates","225737","2020-10-21","18:00:00",""
"4515587","18.28107","0.00017","18.28107","0.00017","36.923","0.0005","90","","90","","90","","12339.6","0.2","173","","173","","","","","","","","","7","P 43","P 4cw","78","","","","- C26 H28 F6 Mn N4 O6 S2 -","- C26 H28 F6 Mn N4 O6 S2 -","- C416 H448 F96 Mn16 N64 O96 S32 -","16","4","","Du, Junyi; Miao, Chengxia; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant","ACS Catalysis","2018","8","5","4528","","10.1021/acscatal.8b00874","","x-ray","1.54184","CuKα","","0.0642","0.0485","","","0.1154","0.1274","","","","","","1.024","","","","has coordinates,has disorder","225738","2020-10-21","18:00:00",""
"4515588","13.414","0.0008","13.786","0.0008","18.1493","0.001","101.69","0.003","106.173","0.002","109.985","0.002","2859.7","0.3","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 B F12 P -","- C28 H24 B F12 P -","- C112 H96 B4 F48 P4 -","4","2","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0679","0.0474","","","0.1106","0.121","","","","","","1.041","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515589","10.6496","0.0004","15.3406","0.0007","18.042","0.0008","90","","95.278","0.002","90","","2935","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B F12 P -","- C28 H26 B F12 P -","- C112 H104 B4 F48 P4 -","4","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.1012","0.0679","","","0.1511","0.17","","","","","","1.031","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515590","11.7104","0.0003","12.4425","0.0003","12.4488","0.0003","71.092","0.001","69.578","0.001","64.329","0.001","1499.65","0.07","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H27 B2 F12 P -","- C28 H27 B2 F12 P -","- C56 H54 B4 F24 P2 -","2","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0927","0.0628","","","0.1901","0.2248","","","","","","1.052","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515591","11.1904","0.0004","12.5885","0.0003","22.6178","0.0006","90","","99.722","0.001","90","","3140.42","0.16","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Co2 N6 -","- C72 H94 Co2 N6 -","- C144 H188 Co4 N12 -","2","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0624","0.0422","","","0.1067","0.1207","","","","","","1.061","","","","has coordinates","225740","2020-10-21","18:00:00",""
"4515592","17.0369","0.0005","10.7343","0.0003","17.0418","0.0006","90","","93.483","0.001","90","","3110.83","0.17","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 Co N2 O Si -","- C31 H48 Co N2 O Si -","- C124 H192 Co4 N8 O4 Si4 -","4","1","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0583","0.04","","","0.0954","0.1053","","","","","","1.017","","","","has coordinates,has disorder","225741","2020-10-21","18:00:00",""
"4515593","12.0633","0.0003","12.0633","0.0003","21.8421","0.0007","90","","90","","90","","3178.53","0.15","100","1","100","1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C31 H45 Cl2 Co Li N2 O2 -","- C31 H45 Cl2 Co Li N2 O2 -","- C124 H180 Cl8 Co4 Li4 N8 O8 -","4","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","x-ray","0.71073","MoKα","","0.0346","0.0293","","","0.0702","0.0726","","","","","","1.084","","","","has coordinates","225742","2020-10-21","18:00:00",""
"4515594","8.8505","0.0009","21.914","0.002","19.0059","0.0018","90","","100.646","0.002","90","","3622.7","0.6","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 N3 O Si Zn -","- C39 H49 N3 O Si Zn -","- C156 H196 N12 O4 Si4 Zn4 -","4","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0636","0.0424","","","0.0969","0.1048","","","","","","1.012","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515595","14.8856","0.0003","21.731","0.0004","16.0804","0.0002","90","","113.482","0.001","90","","4770.9","0.15","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H38.5 N3 Zn -","- C22.5 H38.5 N3 Zn -","- C180 H308 N24 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0459","0.0376","","","0.0957","0.102","","","","","","1.0408","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515596","23.041","0.006","10.016","0.003","22.532","0.006","90","","117.531","0.004","90","","4611","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N3 O2 Zn -","- C22 H35 N3 O2 Zn -","- C176 H280 N24 O16 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.1221","0.0536","","","0.1284","0.1725","","","","","","0.891","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515597","21.7365","0.0014","14.2049","0.001","20.3579","0.0013","90","","102.81","0.001","90","","6129.4","0.7","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H86 N6 Zn2 -","- C50 H86 N6 Zn2 -","- C200 H344 N24 Zn8 -","4","0.5","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0581","0.0434","","","0.1203","0.1277","","","","","","1.046","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515598","12.7688","0.0002","13.881","0.0003","17.4955","0.0003","76.808","0.001","73.779","0.001","84.324","0.001","2896.9","0.09","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H93 N6 O4 Zn2 -","- C55 H93 N6 O4 Zn2 -","- C110 H186 N12 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0479","0.0434","","","0.1143","0.1181","","","","","","1.0462","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515599","16.1366","0.0003","16.5978","0.0003","23.3164","0.0004","98.9","0.001","90.984","0.001","119.052","0.001","5362.53","0.18","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H86 N6 O2 Zn2 -","- C51 H86 N6 O2 Zn2 -","- C204 H344 N24 O8 Zn8 -","4","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","GaKα","","0.0559","0.0496","","","0.132","0.138","","","","","","1.012","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515600","13.4707","0.0011","14.5272","0.0013","16.2991","0.0014","88.145","0.002","89.86","0.001","65.496","0.001","2900.6","0.4","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N4 O4 Zn2 -","- C60 H84 N4 O4 Zn2 -","- C120 H168 N8 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.064","0.0385","","","0.0919","0.1024","","","","","","1.032","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515601","10.82","0.007","12.675","0.007","11.662","0.007","90","","106.559","0.018","90","","1533","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Fe N11 O -","- C10 H12 Fe N11 O -","- C40 H48 Fe4 N44 O4 -","4","1","","Shen, Shou-Jie; Zhu, Cheng-Liang; Lu, Deng-Fu; Xu, Hao","Iron-Catalyzed Direct Olefin Diazidation via Peroxyester Activation Promoted by Nitrogen-Based Ligands.","ACS catalysis","2018","8","5","4473","4482","10.1021/acscatal.8b00821","","","0.71073","MoKα","","0.1335","0.0919","","","0.2621","0.3029","","","","","","0.794","","","","has coordinates","225745","2020-10-21","18:00:00",""
"4515602","10.1006","0.0007","18.0014","0.0013","42.163","0.003","90","","90","","90","","7666.3","0.9","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 N4 Ni -","- C44 H54 N4 Ni -","- C352 H432 N32 Ni8 -","8","2","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0689","0.0487","","","0.0911","0.0976","","","","","","1.042","","","","has coordinates","225746","2020-10-21","18:00:00",""
"4515603","26.6781","0.0011","16.5463","0.0007","22.7174","0.0009","90","","90.462","0.002","90","","10027.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H136 Cl3 N9 Ni3 -","- C110 H136 Cl3 N9 Ni3 -","- C440 H544 Cl12 N36 Ni12 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1026","0.1185","","","","","","1.056","","","","has coordinates,has disorder","225747","2020-10-21","18:00:00",""
"4515604","12.855","0.003","21.217","0.004","24.26","0.005","90","","90","","90","","6617","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Cl2 N6 Ni2 -","- C64 H80 Cl2 N6 Ni2 -","- C256 H320 Cl8 N24 Ni8 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.71073","MoKα","","0.0802","0.0475","","","0.0796","0.0867","","","","","","0.952","","","","has coordinates","225748","2020-10-21","18:00:00",""
"4515605","27.4949","0.0015","19.0191","0.0015","16.9558","0.0011","90","","108.589","0.003","90","","8404.1","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl N3 Ni -","- C43 H56 Cl N3 Ni -","- C344 H448 Cl8 N24 Ni8 -","8","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.56086","AgKα","","0.0898","0.073","","","0.2","0.2088","","","","","","1.472","","","","has coordinates,has disorder","225749","2020-10-21","18:00:00",""
"4515606","10.5276","0.0013","10.7464","0.0014","18.567","0.002","90","","90","","90","","2100.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VAL1","","","- C22 H37 Ir N P -","- C22 H37 Ir N P -","- C88 H148 Ir4 N4 P4 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0145","0.0143","","","0.0354","0.0354","","","","","","1.128","","","","has coordinates","225750","2020-10-21","18:00:00",""
"4515607","14.836","0.005","15.464","0.005","15.385","0.005","90","","114.159","0.006","90","","3220.5","1.8","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Ir2 N2 O P2 -","- C29 H48 Ir2 N2 O P2 -","- C116 H192 Ir8 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0431","0.033","","","0.0759","0.08","","","","","","1.107","","","","has coordinates,has disorder","225751","2020-10-21","18:00:00",""
"4515608","13.8587","0.0008","23.8714","0.0012","12.5805","0.0009","90","","115.201","0.008","90","","3765.8","0.5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 F6 N6 O9 P Ru2 -","- C34 H26 F6 N6 O9 P Ru2 -","- C136 H104 F24 N24 O36 P4 Ru8 -","4","1","","Daniel, Quentin; Duan, Lele; Timmer, Brian J. J.; Chen, Hong; Luo, Xiaodan; Ambre, Ram; Wang, Ying; Zhang, Biaobiao; Zhang, Peili; Wang, Lei; Li, Fusheng; Sun, Junliang; Ahlquist, Mårten; Sun, Licheng","Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst","ACS Catalysis","2018","8","5","4375","","10.1021/acscatal.7b03768","","x-ray","0.71073","MoKα","","0.0992","0.0607","","","0.1515","0.1669","","","","","","1.066","","","","has coordinates","225752","2020-10-21","18:00:00",""
"4515609","8.6881","0.0005","9.8467","0.0005","11.0731","0.001","94.586","0.006","91.58","0.006","105.361","0.005","909.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Br N O -","- C21 H22 Br N O -","- C42 H44 Br2 N2 O2 -","2","1","","Bai, Dachang; Xu, Teng; Ma, Chaorui; Zheng, Xin; Liu, Bingxian; Xie, Fang; Li, Xingwei","Rh(III)-Catalyzed Mild Coupling of Nitrones and Azomethine Imines with Alkylidenecyclopropanes via C‒H Activation: Facile Access to Bridged Cycles","ACS Catalysis","2018","8","5","4194","","10.1021/acscatal.8b00746","","","0.71073","MoKα","","0.0612","0.04","","","0.0851","0.0938","","","","","","1.033","","","","has coordinates","225753","2020-10-21","18:00:00",""
"4515610","14.4042","0.0014","3.8522","0.0004","14.6641","0.0014","90","","90","","90","","813.68","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0432","0.0378","","","0.0891","0.0916","","","","","","1.066","","","","has coordinates","225754","2020-10-21","18:00:00",""
"4515611","10.936","0.0005","6.5014","0.0003","14.9916","0.0008","90","","95.8987","0.0016","90","","1060.25","0.09","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl O4 -","- C25 H25 Cl O4 -","- C50 H50 Cl2 O8 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0559","0.048","","","0.1185","0.1243","","","","","","1.079","","","","has coordinates","225755","2020-10-21","18:00:00",""
"4515612","7.2559","0.0013","4.5474","0.0008","13.321","0.002","90","","100.781","0.005","90","","431.77","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H3 Br Cl I O -","- C6 H3 Br Cl I O -","- C12 H6 Br2 Cl2 I2 O2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0721","0.0702","","","0.2329","0.2358","","","","","","1.16","","","","has coordinates","225756","2020-10-21","18:00:00",""
"4515613","6.3191","0.0003","15.8114","0.0008","21.7404","0.0011","90","","90","","90","","2172.17","0.19","302","2","302","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C96 H64 Cl16 O16 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0446","0.0389","","","0.1118","0.118","","","","","","1.108","","","","has coordinates","225757","2020-10-21","18:00:00",""
"4515614","6.7838","0.0003","16.4432","0.0008","7.2539","0.0003","90","","108.069","0.0011","90","","769.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0403","0.0376","","","0.1228","0.1263","","","","","","1.129","","","","has coordinates","225758","2020-10-21","18:00:00",""
"4515615","13.6694","0.0002","14.6546","0.0002","21.7416","0.0004","90","","104.277","0.0009","90","","4220.76","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Cl O3 -","- C25 H21 Cl O3 -","- C200 H168 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0634","0.0408","","","0.1016","0.1157","","","","","","1.028","","","","has coordinates,has disorder","225759","2020-10-21","18:00:00",""
"4515616","4.1058","0.0004","17.9301","0.0019","12.4296","0.0015","90","","93.138","0.004","90","","913.66","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br Cl O3 -","- C8 H6 Br Cl O3 -","- C32 H24 Br4 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0752","0.06","","","0.1801","0.1859","","","","","","1.279","","","","has coordinates","225760","2020-10-21","18:00:00",""
"4515617","5.6425","0.0005","9.1159","0.0008","11.1839","0.001","106.666","0.002","102.943","0.002","93.95","0.002","531.61","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 O Se -","- C12 H8 F2 O Se -","- C24 H16 F4 O2 Se2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0861","0.0418","","","0.0931","0.1136","","","","","","1.104","","","","has coordinates","225761","2020-10-21","18:00:00",""
"4515618","7.7896","0.0003","13.5178","0.0006","15.0171","0.0006","90","","101.499","0.002","90","","1549.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C56 H32 Br8 Cl8 O16 -","8","2","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0496","0.033","","","0.0887","0.0983","","","","","","1.042","","","","has coordinates","225762","2020-10-21","18:00:00",""
"4515619","9.6791","0.0005","7.1917","0.0003","12.2628","0.0005","90","","107.906","0.001","90","","812.26","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0387","0.036","","","0.1","0.1028","","","","","","1.007","","","","has coordinates","225763","2020-10-21","18:00:00",""
"4515620","5.7829","0.0002","20.3532","0.0006","8.3091","0.0003","90","","97.502","0.002","90","","969.61","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl O -","- C12 H9 Cl O -","- C48 H36 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0478","0.04","","","0.1165","0.1248","","","","","","1.052","","","","has coordinates","225764","2020-10-21","18:00:00",""
"4515621","19.7094","0.0009","19.7094","0.0009","6.8557","0.0003","90","","90","","90","","2663.2","0.2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 B Cl O3 -","- C12 H16 B Cl O3 -","- C96 H128 B8 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0613","0.0519","","","0.1317","0.1392","","","","","","1.038","","","","has coordinates,has disorder","225765","2020-10-21","18:00:00",""
"4515622","5.2204","0.0012","11.214","0.003","11.717","0.003","90","","90","","90","","685.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C24 H16 Br4 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0641","0.0545","","","0.1707","0.1833","","","","","","1.149","","","","has coordinates","225766","2020-10-21","18:00:00",""
"4515623","32.7811","0.0017","3.926","0.0002","21.7084","0.0012","90","","91.5018","0.0016","90","","2792.9","0.3","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cl2 O4 -","- C12 H6 Br2 Cl2 O4 -","- C96 H48 Br16 Cl16 O32 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0649","0.0615","","","0.1967","0.2011","","","","","","1.052","","","","has coordinates","225767","2020-10-21","18:00:00",""
"4515624","12.695","0.0011","13.3351","0.0011","17.1823","0.0015","102.363","0.002","97.011","0.002","92.487","0.002","2812.8","0.4","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H38 B Cl2 F27 Fe N4 O3 S -","- C47 H36 B F27 Fe N4 O3 S -","- C94 H72 B2 F54 Fe2 N8 O6 S2 -","2","1","","Postils, Verònica; Rodríguez, Mònica; Sabenya, Gerard; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Costas, Miquel; Solà, Miquel; Luis, Josep M.","Mechanism of the Selective Fe-Catalyzed Arene Carbon‒Hydrogen Bond Functionalization","ACS Catalysis","2018","8","5","4313","","10.1021/acscatal.7b03935","","","0.71073","MoKα","","0.1055","0.0726","","","0.1656","0.186","","","","","","1.036","","","","has coordinates,has disorder","225768","2020-10-21","18:00:00",""
"4515625","9.0489","0.0015","8.4426","0.0015","15.648","0.003","90","","94.577","0.003","90","","1191.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C52 H72 O8 S2 -","2","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0988","","","","","","1.061","","","","has coordinates","225769","2020-10-21","18:00:00",""
"4515626","8.6633","0.0009","8.4114","0.0009","17.9313","0.0019","90","","99.6888","0.0018","90","","1288","0.2","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0781","0.0477","","","0.1302","0.1539","","","","","","0.929","","","","has coordinates","225770","2020-10-21","18:00:00",""
"4515627","6.3615","0.0003","10.4427","0.0008","15.1313","0.0009","85.229","0.005","87.86","0.004","76.106","0.005","972.24","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Guin, Srimanta; Deb, Arghya; Dolui, Pravas; Chakraborty, Souvik; Singh, Vikas Kumar; Maiti, Debabrata","Promoting Highly Diastereoselective γ-C‒H Chalcogenation of α-Amino Acids and Aliphatic Carboxylic Acids","ACS Catalysis","2018","8","4","2664","","10.1021/acscatal.7b04074","","","0.71073","MoKα","","0.0853","0.0736","","","0.2087","0.235","","","","","","1.089","","","","has coordinates","225771","2020-10-21","18:00:00",""
"4515628","8.793","0.0007","10.1042","0.0008","16.0484","0.0015","90","","90","","90","","1425.8","0.2","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Biosca, Maria; Margalef, Jèssica; Caldentey, Xisco; Besora, Maria; Rodríguez-Escrich, Carles; Saltó, Joan; Cambeiro, Xacobe C.; Maseras, Feliu; Pàmies, Oscar; Diéguez, Montserrat; Pericàs, Miquel A.","Computationally Guided Design of a Readily Assembled Phosphite‒Thioether Ligand for a Broad Range of Pd-Catalyzed Asymmetric Allylic Substitutions","ACS Catalysis","2018","8","4","3587","","10.1021/acscatal.7b04192","","","0.7107","MoKα","","0.0279","0.023","","","0.0604","0.0639","","","","","","1.058","","","","has coordinates","225772","2020-10-21","18:00:00",""
"4515629","9.0823","0.0006","10.0446","0.0006","16.7815","0.0011","72.627","0.001","75.846","0.001","89.976","0.001","1412.38","0.16","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C13 H15 B F3 K -","- C13 H15 B F3 K -","- C52 H60 B4 F12 K4 -","4","4","","Gao, De-Wei; Xiao, Yiyang; Liu, Mingyu; Liu, Zhen; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Catalytic, Enantioselective Synthesis of Allenyl Boronates.","ACS catalysis","2018","8","4","3650","3654","10.1021/acscatal.8b00626","","x-ray","0.71073","MoKα","","0.0331","0.0289","","","0.0715","0.0738","","","","","","1.044","","","","has coordinates","225773","2020-10-21","18:00:00",""
"4515630","6.6275","0.0005","8.0167","0.0007","22.6419","0.0019","90","","90","","90","","1202.98","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Brandenberg, Oliver F.; Prier, Christopher K.; Chen, Kai; Knight, Anders M.; Wu, Zachary; Arnold, Frances H.","Stereoselective Enzymatic Synthesis of Heteroatom-Substituted Cyclopropanes","ACS Catalysis","2018","8","4","2629","","10.1021/acscatal.7b04423","","","1.54178","CuKα","","0.0336","0.0334","","","0.0889","0.0892","","","","","","1.154","","","","has coordinates","225774","2020-10-21","18:00:00",""
"4515631","10.4784","0.0005","22.1575","0.001","15.6461","0.0007","90","","105.074","0.003","90","","3507.6","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H110 Cl2 Co2 N4 P4 -","- C70 H110 Cl2 Co2 N4 P4 -","- C140 H220 Cl4 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0424","","","","0.1092","","","","","","1.073","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515632","10.7673","0.0013","29.054","0.004","12.6363","0.0016","90","","117.372","0.003","90","","3510.5","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 Co2 N4 P4 -","- C70 H110 Co2 N4 P4 -","- C140 H220 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0857","","","","0.2141","","","","","","1.025","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515633","9.2161","0.0002","12.7576","0.0003","10.9094","0.0002","90","","95.835","0.002","90","","1276.03","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O3 S -","- C23 H34 N6 O3 S -","- C46 H68 N12 O6 S2 -","2","1","","Nicholls, Rachel L.; McManus, James A.; Rayner, Christopher M.; Morales-Serna, José A.; White, Andrew J. P.; Nguyen, Bao N.","Guanidine-Catalyzed Reductive Amination of Carbon Dioxide with Silanes: Switching between Pathways and Suppressing Catalyst Deactivation","ACS Catalysis","2018","8","4","3678","","10.1021/acscatal.7b04108","","","0.71073","MoKα","","0.048","0.0375","","","0.0821","0.0868","","","","","","1.029","","","","has coordinates","225776","2020-10-21","18:00:00",""
"4515634","15.5099","0.0015","7.5217","0.0008","28.568","0.003","90","","99.09","0.008","90","","3290.9","0.6","273","","273","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C184 H128 O16 -","8","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.077","0.0544","","","0.1377","0.1651","","","","","","1.081","","","","has coordinates","225777","2020-10-21","18:00:00",""
"4515635","7.5964","0.0003","16.0907","0.0006","12.1098","0.0005","90","","99.736","0.002","90","","1458.88","0.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O -","- C15 H22 Br N O -","- C60 H88 Br4 N4 O4 -","4","2","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0817","0.0374","","","0.0838","0.0963","","","","","","1.011","","","","has coordinates","225778","2020-10-21","18:00:00",""
"4515636","10.573","0.003","16.555","0.004","14.695","0.004","90","","104.784","0.003","90","","2487","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C116 H120 O20 -","4","1","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0641","0.0496","","","0.1528","0.1674","","","","","","1.039","","","","has coordinates","225779","2020-10-21","18:00:00",""
"4515637","5.923","0.004","16.864","0.009","14.255","0.008","90","","92.357","0.005","90","","1422.7","1.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O5 S -","- C13 H16.62 N O5 S -","- C52 H66.48 N4 O20 S4 -","4","1","","Kishi, Kenta; Takizawa, Shinobu; Sasai, Hiroaki","Phosphine-Catalyzed Dual Umpolung Domino Michael Reaction: Facile Synthesis of Hydroindole- and Hydrobenzofuran-2-Carboxylates","ACS Catalysis","2018","8","6","5228","","10.1021/acscatal.8b01011","","","0.71075","MoKα","","0.0542","0.0432","","","0.1108","0.1183","","","","","","1.086","","","","has coordinates,has disorder","225780","2020-10-21","18:00:00",""
"4515638","15.8128","0.0008","13.0267","0.0007","16.0929","0.0008","90","","98.231","0.001","90","","3280.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Mo N3 O -","- C37 H47 Mo N3 O -","- C148 H188 Mo4 N12 O4 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0238","0.0233","","","0.0601","0.0604","","","","","","1.06","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515639","32.0833","0.0007","33.7453","0.0007","17.8428","0.0004","90","","90","","90","","19317.7","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H60 Mo N5 O -","- C47 H60 Mo N5 O -","- C752 H960 Mo16 N80 O16 -","16","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0302","0.0272","","","0.0612","0.0625","","","","","","1.021","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515640","11.264","0.0002","17.5505","0.0002","23.2268","0.0003","90","","115.23","0.001","90","","4153.65","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Mo N3 Si2 -","- C41 H65 Mo N3 Si2 -","- C164 H260 Mo4 N12 Si8 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0356","0.0304","","","0.0742","0.0767","","","","","","1.079","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515641","13.8095","0.0006","15.6122","0.0006","19.5369","0.0009","90","","90","","90","","4212.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 Cl6 N P Pd -","- C41 H50 Cl6 N P Pd -","- C164 H200 Cl24 N4 P4 Pd4 -","4","1","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","0.71073","MoKα","","0.0442","0.0387","","","0.0796","0.0827","","","","","","1.03","","","","has coordinates","225782","2020-10-21","18:00:00",""
"4515642","11.39996","0.00016","31.0942","0.0005","19.9369","0.0003","90","","96.7204","0.0015","90","","7018.53","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.5 H15 Cl5 O3 -","- C25.5 H15 Cl5 O3 -","- C306 H180 Cl60 O36 -","12","6","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","1.54184","CuKα","","0.0603","0.0559","","","0.1435","0.1488","","","","","","1.046","","","","has coordinates,has disorder","225783","2020-10-21","18:00:00",""
"4515643","8.4142","0.0014","14.046","0.002","11.3304","0.0019","90","","104.324","0.003","90","","1297.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl N O5 -","- C29 H34 Cl N O5 -","- C58 H68 Cl2 N2 O10 -","2","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0516","0.0457","","","0.114","0.1191","","","","","","1.042","","","","has coordinates","225784","2020-10-21","18:00:00",""
"4515644","12.432","0.0014","11.174","0.0013","14.1728","0.0016","90","","96.117","0.002","90","","1957.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0702","0.0594","","","0.1471","0.1576","","","","","","1.054","","","","has coordinates","225785","2020-10-21","18:00:00",""
"4515645","8.3767","0.0009","12.1262","0.0013","39.035","0.004","90","","93.093","0.003","90","","3959.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C168 H216 N8 O40 -","8","2","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.1135","0.064","","","0.1416","0.1648","","","","","","0.995","","","","has coordinates,has disorder","225786","2020-10-21","18:00:00",""
"4515646","9.6879","0.001","9.8487","0.0011","34.927","0.004","90","","90","","90","","3332.5","0.6","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 Br N O Si2 -","- C39 H38 Br N O Si2 -","- C156 H152 Br4 N4 O4 Si8 -","4","1","","Meng, Fei-Fan; Xie, Jia-Hao; Xu, Yun-He; Loh, Teck-Peng","Catalytically Asymmetric Synthesis of 1,3-Bis(silyl)propenes via Copper-Catalyzed Double Proto-Silylations of Polar Enynes","ACS Catalysis","2018","8","6","5306","","10.1021/acscatal.8b00999","","","0.71073","MoKα","","0.0508","0.0421","","","0.0921","0.095","","","","","","1.01","","","","has coordinates","225787","2020-10-21","18:00:00",""
"4515647","16.125","0.001","6.8205","0.0004","13.1663","0.0008","90","","96.287","0.002","90","","1439.33","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'(Z)-1-tosyl-2,3,4,7,8,9-hexahydro-1H-azonine'","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.0911","0.0599","","","0.1253","0.143","","","","","","1.178","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515648","19.6621","0.0012","8.3363","0.0005","19.9464","0.0013","90","","112.146","0.002","90","","3028.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1312","0.0913","","","0.2932","0.3269","","","","","","1.058","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515649","32.802","0.005","8.4124","0.0014","10.9145","0.0015","90","","90","","90","","3011.8","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.2129","0.0894","","","0.1912","0.2245","","","","","","0.996","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515650","7.851","0.002","10.524","0.003","15.813","0.004","90","","98.263","0.009","90","","1293","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1565","0.0594","","","0.1213","0.1481","","","","","","1.024","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515651","8.589","0.004","5.946","0.002","15.333","0.006","90","","100.966","0.004","90","","768.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 O2 P -","- C16 H25 O2 P -","- C32 H50 O4 P2 -","2","1","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0647","0.0469","","","0.1015","0.1085","","","","","","1.023","","","","has coordinates","225789","2020-10-21","18:00:00",""
"4515652","10.2543","0.0006","10.9798","0.0007","13.7645","0.0009","90","","90.59","0.001","90","","1549.67","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O3 P -","- C16 H23 O3 P -","- C64 H92 O12 P4 -","4","2","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0291","0.0277","","","0.0711","0.072","","","","","","1.023","","","","has coordinates","225790","2020-10-21","18:00:00",""
"4515653","7.8069","0.0003","7.8369","0.0002","35.3156","0.0011","90","","90","","90","","2160.68","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl F3 O2 S -","- C25 H18 Cl F3 O2 S -","- C100 H72 Cl4 F12 O8 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0549","0.0536","","","0.1259","0.1264","","","","","","1.197","","","","has coordinates","225791","2020-10-21","18:00:00",""
"4515654","7.7702","0.0004","7.7862","0.0004","17.9926","0.0008","90","","100.144","0.003","90","","1071.54","0.09","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 F3 O2 S -","- C26 H21 F3 O2 S -","- C52 H42 F6 O4 S2 -","2","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0334","0.0317","","","0.0781","0.0792","","","","","","1.066","","","","has coordinates","225792","2020-10-21","18:00:00",""
"4515655","9.3182","0.0004","10.5061","0.0005","24.8751","0.0012","90","","90","","90","","2435.2","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C94.8 H60 Cl8.4 D2.8 F12 O16 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","0.71073","MoKα","","0.1015","0.0694","","","0.1775","0.1966","","","","","","1.048","","","","has coordinates","225793","2020-10-21","18:00:00",""
"4515656","13.218","0.003","8.696","0.002","16.546","0.004","90","","98.483","0.004","90","","1881.1","0.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.1209","0.0528","","","0.1151","0.145","","","","","","0.987","","","","has coordinates","225794","2020-10-21","18:00:00",""
"4515657","10.559","0.005","8.848","0.004","20.03","0.009","90","","91.424","0.008","90","","1870.7","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.0969","0.048","","","0.1207","0.1516","","","","","","0.958","","","","has coordinates","225795","2020-10-21","18:00:00",""
"4515658","13.7551","0.0017","18.856","0.002","8.4263","0.0009","90","","90","","90","","2185.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Fe N9 O2 -","- C16 H21 Cl2 Fe N9 O2 -","- C64 H84 Cl8 Fe4 N36 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.094","0.0664","","","0.1503","0.1609","","","","","","1.108","","","","has coordinates","225796","2020-10-21","18:00:00",""
"4515659","7.6537","0.0013","10.3038","0.0017","11.7","0.002","69.471","0.002","74.774","0.002","75.983","0.002","822.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O4 S -","- C15 H19 F3 N2 O4 S -","- C30 H38 F6 N4 O8 S2 -","2","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.0363","0.033","","","0.0847","0.0876","","","","","","1.077","","","","has coordinates","225797","2020-10-21","18:00:00",""
"4515660","6.1287","0.0003","17.2349","0.0008","21.6302","0.0011","90","","90","","90","","2284.74","0.19","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl3 F3 N2 O4 S -","- C18 H22 Cl3 F3 N2 O4 S -","- C72 H88 Cl12 F12 N8 O16 S4 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0397","0.0386","","","0.0983","0.0991","","","","","","1.029","","","","has coordinates","225798","2020-10-21","18:00:00",""
"4515661","11.8893","0.00018","5.2263","0.00008","24.518","0.0004","90","","96.137","0.0012","90","","1514.75","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F3 N O2 -","- C14 H22 F3 N O2 -","- C56 H88 F12 N4 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.069","0.0419","","","0.094","0.107","","","","","","1.015","","","","has coordinates","225799","2020-10-21","18:00:00",""
"4515662","11.579","0.0003","16.9733","0.0005","18.2465","0.0004","90","","90","","90","","3586.05","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F3 N O2 -","- C16 H26 F3 N O2 -","- C128 H208 F24 N8 O16 -","8","2","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0831","0.0515","","","0.1106","0.1265","","","","","","1.01","","","","has coordinates","225800","2020-10-21","18:00:00",""
"4515663","14.9198","0.0003","13.8571","0.0003","9.9498","0.0002","90","","95.4351","0.0015","90","","2047.82","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C76 H100 F12 N8 O16 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0931","0.05","","","0.1118","0.1314","","","","","","1.013","","","","has coordinates","225801","2020-10-21","18:00:00",""
"4515664","12.0872","0.0008","12.5682","0.0008","17.2255","0.0013","76.7","0.004","74.058","0.004","76.399","0.004","2407","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As Co K2 Mo6 N O39.5 -","- C17 H15 As Co K2 Mo6 N O39.5 -","- C34 H30 As2 Co2 K4 Mo12 N2 O79 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0494","0.04","","","0.1122","0.1199","","","","","","1.065","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515665","11.9612","0.0004","12.5318","0.0003","17.1943","0.0004","76.499","0.001","74.053","0.002","76.535","0.002","2370.12","0.12","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H44 As K2 Mo6 N Ni O42 -","- C17 H15 As K2 Mo6 N Ni O42 -","- C34 H30 As2 K4 Mo12 N2 Ni2 O84 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0514","0.0433","","","0.1129","0.1193","","","","","","1.023","","","","has coordinates,has disorder","225802","2020-10-21","18:00:00",""
"4515666","12.1425","0.0002","12.5739","0.0002","17.2226","0.0003","76.443","0.001","74.062","0.001","76.225","0.001","2415.16","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H40 As K2 Mo6 N O41 Zn -","- C17 H15 As K2 Mo6 N O41 Zn -","- C34 H30 As2 K4 Mo12 N2 O82 Zn2 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.053","0.043","","","0.1191","0.1266","","","","","","1.054","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515667","12.2865","0.0007","12.6065","0.0007","17.2145","0.0011","76.319","0.003","73.933","0.003","76.064","0.003","2445.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As K2 Mn Mo6 N O40 -","- C17 H17 As K2 Mn Mo6 N O40 -","- C34 H34 As2 K4 Mn2 Mo12 N2 O80 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0398","0.0362","","","0.1095","0.1125","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515668","16.1055","0.0006","18.5246","0.0007","19.0707","0.0008","75.701","0.002","65.877","0.002","64.845","0.002","4681.8","0.3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H87 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C18 H42 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C36 H84 As4 Co K6 Mo24 N12 Na2 O155 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0859","0.0701","","","0.181","0.1943","","","","","","1.056","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515669","12.6575","0.0008","12.671","0.0007","18.5916","0.0009","105.723","0.003","91.318","0.003","106.19","0.003","2740.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H44 As Co0.5 K5 Mo6 O44.5 -","- C21 H15 As Co0.5 K5 Mo6 O44.5 -","- C42 H30 As2 Co K10 Mo12 O89 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0577","0.0485","","","0.1293","0.1356","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515670","11.54858","0.00016","30.1957","0.0004","32.8403","0.0004","64.8392","0.0012","80.3426","0.0011","86.1838","0.0011","10218.4","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H70 N2 Ni O8 -","- C47.5 H70 N2 Ni O8 -","- C380 H560 N16 Ni8 O64 -","8","4","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0554","0.0449","","","0.1174","0.1261","","","","","","1.019","","","","has coordinates,has disorder","225803","2020-10-21","18:00:00",""
"4515671","14.0561","0.0003","14.806","0.0004","22.1265","0.0003","93.854","0.002","102.679","0.002","118.29","0.002","3876.59","0.17","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H92 N2 Ni O8.5 -","- C95 H88 N2 Ni O8 -","- C190 H176 N4 Ni2 O16 -","2","1","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0453","0.0436","","","0.1121","0.1144","","","","","","1.035","","","","has coordinates,has disorder","225804","2020-10-21","18:00:00",""
"4515672","14.2005","0.0003","10.38306","0.00019","28.0529","0.0005","90","","102.226","0.0019","90","","4042.44","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C216 H176 N16 O24 -","8","1","","Rej, Supriya; Chatani, Naoto","Rhodium(I)-Catalyzed C8-Alkylation of 1-Naphthylamide Derivatives with Alkenes through a Bidentate Picolinamide Chelation System","ACS Catalysis","2018","8","7","6699","","10.1021/acscatal.8b01675","","","1.54184","CuKα","","0.0398","0.0361","","","0.0941","0.0969","","","","","","1.033","","","","has coordinates","225805","2020-10-21","18:00:00",""
"4515673","10.6361","0.001","16.8158","0.0014","19.6467","0.0018","91.7164","0.0011","105.424","0.002","93.774","0.002","3375.9","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 I4 N2 S -","- C27 H36 I4 N2 S -","- C108 H144 I16 N8 S4 -","4","2","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.0376","0.0315","","","0.0787","0.0807","","","","","","1.067","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515674","10.689","0.003","18.743","0.005","16.225","0.004","90","","102.555","0.005","90","","3172.9","1.5","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl I3 N2 S -","- C27 H36 Cl I3 N2 S -","- C108 H144 Cl4 I12 N8 S4 -","4","1","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.1761","0.1261","","","0.3725","0.3947","","","","","","1.266","","","","has coordinates","225807","2020-10-21","18:00:00",""
"4515675","12.9176","0.0003","15.173","0.0003","16.7769","0.0003","90","","90","","90","","3288.25","0.12","240","2","240","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H20 O7 -","- C17 H19 O7 -","- C136 H152 O56 -","8","2","","Shu, Wei; Merino, Estíbaliz; Nevado, Cristina","Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes","ACS Catalysis","2018","8","7","6401","","10.1021/acscatal.8b00707","","x-ray","1.54184","CuKα","","0.0545","0.0527","","","0.1579","0.1606","","","","","","1.053","","","","has coordinates,has disorder","225808","2020-10-21","18:00:00",""
"4515676","16.7493","0.0011","17.9477","0.0013","9.7237","0.0007","90","","105.053","0.001","90","","2822.8","0.3","187","2","187","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N2 Sc Si2 -","- C27 H39 N2 Sc Si2 -","- C108 H156 N8 Sc4 Si8 -","4","1","","Li, Shihui; Liu, Dongtao; Wang, Zichuan; Cui, Dongmei","Development of Group 3 Catalysts for Alternating Copolymerization of Ethylene and Styrene Derivatives","ACS Catalysis","2018","8","7","6086","","10.1021/acscatal.8b00885","","","0.71073","MoKα","","0.0851","0.0561","","","0.1227","0.1376","","","","","","1.02","","","","has coordinates","225809","2020-10-21","18:00:00",""
"4515677","11.5304","0.0003","11.8994","0.0003","12.6132","0.0004","107.862","0.003","96.62","0.002","114.133","0.003","1444.35","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H41 N3 O3 -","- C33 H41 N3 O3 -","- C66 H82 N6 O6 -","2","1","","Li, Zhenghua; Song, Liangliang; Van Meervelt, Luc; Tian, Guilong; Van der Eycken, Erik V.","Cationic Gold(I)-Catalyzed Cascade Bicyclizations for Divergent Synthesis of (Spiro)polyheterocycles","ACS Catalysis","2018","8","7","6388","","10.1021/acscatal.8b01789","","x-ray","0.71073","MoKα","","0.0608","0.0502","","","0.1232","0.1302","","","","","","0.998","","","","has coordinates","225810","2020-10-21","18:00:00",""
"4515678","9.2626","0.0003","11.273","0.0005","36.0958","0.0014","90","","90","","90","","3769","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MFtBu","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.0621","0.0425","","","0.1126","0.1405","","","","","","1.089","","","","has coordinates","225811","2020-10-21","18:00:00",""
"4515679","7.3859","0.0004","14.0495","0.0006","19.8207","0.001","90","","95.797","0.002","90","","2046.24","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","TR-82_1DIAST","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.1148","0.0497","","","0.1191","0.164","","","","","","1.048","","","","has coordinates","225812","2020-10-21","18:00:00",""
"4515680","6.0252","0.0003","14.9032","0.0008","19.2088","0.0012","90","","93.713","0.006","90","","1721.23","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin","Trifunctionalization of Allenes via Cobalt-Catalyzed MHP-Assisted C‒H Bond Functionalization and Molecular Oxygen Activation","ACS Catalysis","2018","8","7","6645","","10.1021/acscatal.8b01720","","x-ray","0.71073","MoKα","","0.0543","0.0446","","","0.1143","0.1252","","","","","","1.042","","","","has coordinates","225813","2020-10-21","18:00:00",""
"4515681","15.8675","0.0016","11.3225","0.0013","16.9255","0.0013","90","","116.905","0.003","90","","2711.7","0.5","99.98","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Cl2 -","- C38 H22 Cl2 -","- C152 H88 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0349","0.0327","","","0.0929","0.0953","","","","","","1.06","","","","has coordinates","225814","2020-10-21","18:00:00",""
"4515682","16.6618","0.001","12.3936","0.0006","16.076","0.0014","90","","119.312","0.002","90","","2894.7","0.3","100","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cl2 -","- C40 H26 Cl2 -","- C160 H104 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0362","0.0343","","","0.0967","0.0983","","","","","","1.052","","","","has coordinates","225815","2020-10-21","18:00:00",""
"4515683","13.048","0.0003","15.9745","0.0004","20.3351","0.0005","69.8393","0.0012","74.7061","0.0011","79.3386","0.0011","3817.17","0.16","100","2","100","2","","","","","","","acetonitrile","3","P -1","-P 1","2","","1,3,4-tri(4-tert-butyl-phenyl)-2-methoxy-6-tert-butyl-naphthalene","","- C45 H54 O -","- C45 H54 O -","- C180 H216 O4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.1128","0.0701","","","0.1753","0.2118","","","","","","1.023","","","","has coordinates,has disorder","266887","2021-07-02","05:32:58",""
"4515684","23.156","0.0008","23.156","0.0008","45.3164","0.0015","90","","90","","90","","24298.7","1.4","100","","99.98","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C920 H864 Cl16 F288 N48 O64 P16 Sb16 -","8","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.063","0.0538","","","0.1398","0.1455","","","","","","1.088","","","","has coordinates,has disorder","225817","2020-10-21","18:00:00",""
"4515685","24.6931","0.0012","9.8945","0.0005","11.3008","0.0005","90","","107.002","0.001","90","","2640.4","0.2","100","2","100","2","","","","","","","chloroform","2","C 1 2/c 1","-C 2yc","15","","7-(4-methylphenyl)methylene)-fluoreneo[c:c]fluorene- 7-(bis(4-methylphenyl)methylene)","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.0407","0.0399","","","0.0946","0.0952","","","","","","1.063","","","","has coordinates","225818","2020-10-21","18:00:00",""
"4515686","11.625","0.0008","21.7951","0.0018","24.924","0.002","90","","90","","90","","6314.9","0.8","100","","100","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C228 H212 Au4 Cl4 F72 N12 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0684","0.0554","","","0.153","0.1626","","","","","","1.039","","","","has coordinates","225819","2020-10-21","18:00:00",""
"4515687","14.1224","0.0013","14.3201","0.0006","16.3265","0.0014","111.05","0.006","108.05","0.008","90.835","0.005","2900.2","0.4","100","2","100","2","","","","","","","dichloromethane","10","P -1","-P 1","2","","GON-GC-332","","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","1","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0359","0.0301","","","0.1143","0.1211","","","","","","0.97","","","","has coordinates,has disorder","225820","2020-10-21","18:00:00",""
"4515688","14.5593","0.0007","16.985","0.003","18.089","0.003","90","","90","","90","","4473.2","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","8","P 21 21 21","P 2ac 2ab","19","","2-(5,6-dimethoxy-4,4,7,7-tetraphenyl-1,3,2-dioxaphosphepan-2-yl)- 1,3-diisopropyl-1H-imidazol-3-ium hexafluoroantimonate dichloromethane solvate","","- C42 H50 Cl2 F6 N2 O4 P Sb -","- C41.9999 H49.9998 Cl1.9998 F6 N2 O4 P Sb -","- C168 H199.999 Cl7.9992 F24 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0796","0.0597","","","0.1454","0.1608","","","","","","1.037","","","","has coordinates,has disorder","225821","2020-10-21","18:00:00",""
"4515689","11.2724","0.0011","25.712","0.002","22.718","0.002","90","","98.349","0.003","90","","6514.7","1","100","","99.99","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C256 H236 Cl8 F72 N12 O16 P4 Sb4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0964","0.0634","","","0.1463","0.1638","","","","","","1.019","","","","has coordinates,has disorder","225822","2020-10-21","18:00:00",""
"4515690","6.7543","0.0004","9.853","0.0004","31.4363","0.0018","90","","90","","90","","2092.09","0.19","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 Br2 -","- C28 H18 Br2 -","- C112 H72 Br8 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0166","0.0164","","","0.0455","0.0456","","","","","","1.085","","","","has coordinates","225823","2020-10-21","18:00:00",""
"4515691","11.5608","0.0006","22.3675","0.0009","14.1582","0.0008","90","","95.008","0.002","90","","3647.1","0.3","100","2","100","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C126 H118 Au2 Cl6 F36 N6 O8 P2 Sb2 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0477","0.0455","","","0.1279","0.1296","","","","","","1.102","","","","has coordinates","225824","2020-10-21","18:00:00",""
"4515692","11.8911","0.0012","20.269","0.002","26.818","0.003","90","","90","","90","","6463.7","1.2","100.02","","100.02","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C56 H48 Au Cl5 F18 N2 O4 P Sb -","- C55.9999 H47.9998 Au Cl4.9998 F18 N2 O4 P Sb -","- C224 H191.999 Au4 Cl19.9992 F72 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0512","0.0439","","","0.1132","0.1173","","","","","","1.035","","","","has coordinates,has disorder","225825","2020-10-21","18:00:00",""
"4515693","17.9011","0.0013","8.3634","0.0004","19.4197","0.001","90","","90.871","0.003","90","","2907.1","0.3","100","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H25.94 Cl2.06 -","- C40 H25.946 Cl2.054 -","- C160 H103.784 Cl8.216 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0427","0.0365","","","0.1011","0.1056","","","","","","1.036","","","","has coordinates,has disorder","225826","2020-10-21","18:00:00",""
"4515694","8.0652","0.0006","8.3219","0.0012","14.129","0.0018","77.347","0.006","83.454","0.006","80.93","0.006","910.59","0.19","100.04","","100.04","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C42 H50 N6 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0617","0.0506","","","0.1228","0.1297","","","","","","1.048","","","","has coordinates","225827","2020-10-21","18:00:00",""
"4515695","11.8311","0.0015","12.7714","0.0017","12.7734","0.0016","69.209","0.003","81.613","0.003","86.471","0.003","1785","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Li, Deng-Yuan; Liu, Shuo; Chen, Shuang; Wang, An; Zhu, Xiao-Ping; Liu, Pei-Nian","Dual Role of Aryl Iodide in Cascade C‒H Arylation/Amination: Arylation Reagent and Cocatalyst for C‒N Formation","ACS Catalysis","2018","8","7","6407","","10.1021/acscatal.8b01071","","","0.71073","MoKα","","0.0803","0.0557","","","0.1463","0.1643","","","","","","1.009","","","","has coordinates","225828","2020-10-21","18:00:00",""
"4515696","10.811","0.003","16.451","0.004","11.445","0.003","90","","101.668","0.003","90","","1993.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N O4 Zn -","- C20 H26 N O4 Zn -","- C80 H104 N4 O16 Zn4 -","4","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0705","0.049","","","0.1257","0.1355","","","","","","1.046","","","","has coordinates","225829","2020-10-21","18:00:00",""
"4515697","10.2938","0.0013","16.839","0.002","17.23","0.002","73.123","0.002","78.321","0.002","87.036","0.002","2798.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 Ni O4 P -","- C28 H47 Ni O4 P -","- C112 H188 Ni4 O16 P4 -","4","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.053","0.0357","","","0.0843","0.0926","","","","","","1.026","","","","has coordinates","225830","2020-10-21","18:00:00",""
"4515698","7.204","0.004","34.935","0.019","11.091","0.006","90","","92.218","0.008","90","","2789","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 B N O2 -","- C13 H22 B N O2 -","- C104 H176 B8 N8 O16 -","8","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.1656","0.0976","","","0.2671","0.3043","","","","","","1.078","","","","has coordinates","225831","2020-10-21","18:00:00",""
"4515699","7.96","0.002","8.085","0.002","9.656","0.002","108.25","0.003","93.812","0.003","94.208","0.003","585.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0334","0.0307","","","0.0808","0.0826","","","","","","1.058","","","","has coordinates","225832","2020-10-21","18:00:00",""
"4515700","10.001","0.003","10.415","0.003","13.862","0.004","76.659","0.004","77.984","0.004","62.798","0.004","1240.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H41 Ni O4 P -","- C25 H41 Ni O4 P -","- C50 H82 Ni2 O8 P2 -","2","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.092","0.0526","","","0.1007","0.1176","","","","","","1.017","","","","has coordinates","225834","2020-10-21","18:00:00",""
"4515701","6.3927","0.0015","8.606","0.002","10.965","0.002","86.398","0.004","79.115","0.005","86.957","0.005","590.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0347","0.0305","","","0.072","0.074","","","","","","1.052","","","","has coordinates,has disorder","225835","2020-10-21","18:00:00",""
"4515702","6.736","0.003","8.129","0.003","11.969","0.005","101.952","0.014","99.095","0.008","99.806","0.009","619","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0273","0.0243","","","0.0614","0.0626","","","","","","1.066","","","","has coordinates","225836","2020-10-21","18:00:00",""
"4515703","8.78","0.003","10","0.004","13.272","0.005","101.969","0.005","98.6857","0.0018","103.084","0.005","1086.1","0.7","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O6 Pd -","- C24 H20 N2 O6 Pd -","- C48 H40 N4 O12 Pd2 -","2","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0356","","","","0.1059","","","","","","0.925","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515704","7.939","0.002","16.611","0.004","16.219","0.004","90","","93.262","0.003","90","","2135.4","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 I N2 O4 Pd -","- C22 H17 I N2 O4 Pd -","- C88 H68 I4 N8 O16 Pd4 -","4","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","0.0418","0.0349","","","0.0948","0.1021","","","","","","0.91","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515705","18.828","0.011","8.059","0.005","12.153","0.008","90","","91.24","0.008","90","","1844","2","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C80 H72 O32 -","4","0.5","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0472","","","","0.1394","","","","","","1.031","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515706","7.258","0.003","18.732","0.007","12.399","0.005","90","","93.746","0.005","90","","1682.1","1.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 -","- C21 H18 Br2 -","- C84 H72 Br8 -","4","1","","Su, Xiang; Chen, Bifeng; Wang, Shaohong; Chen, Hui; Chen, Chao","Atom- and Step-Efficient Construction of Five-Membered Carbocycles with Alkenes and Alkynes Catalyzed by AgSbF6","ACS Catalysis","2018","8","9","7760","","10.1021/acscatal.8b02448","","","0.71073","MoKα","","0.0415","0.0389","","","0.1022","0.1118","","","","","","1.156","","","","has coordinates","225838","2020-10-21","18:00:00",""
"4515707","21.4471","0.001","6.4084","0.0003","12.069","0.0005","90","","113.464","0.002","90","","1521.62","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C68 H60 N4 O20 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.0247","0.0247","","","0.0652","0.0653","","","","","","1.045","","","","has coordinates","225839","2020-10-21","18:00:00",""
"4515708","8.8312","0.0004","11.2095","0.0006","16.7904","0.0009","90","","90","","90","","1662.14","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.02","0.0193","","","0.0488","0.0491","","","","","","1.044","","","","has coordinates","225840","2020-10-21","18:00:00",""
"4515709","6.8554","0.0003","18.0992","0.0007","11.1588","0.0004","90","","92.472","0.004","90","","1383.26","0.09","290.04","0.1","290.04","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C68 H48 N8 O16 -","4","1","","Chen, Fei; Lai, Sheng-Qiang; Zhu, Fei-Fei; Meng, Qiang; Jiang, Yu; Yu, Wei; Han, Bing","Cu-Catalyzed Radical Cascade Annulations of Alkyne-Tethered N-Alkoxyamides with Air: Facile Access to Isoxazolidine/1,2-Oxazinane-Fused Isoquinolin-1(2H)-ones","ACS Catalysis","2018","8","9","8925","","10.1021/acscatal.8b02445","","x-ray","1.54184","CuKα","","0.0551","0.0505","","","0.1318","0.1364","","","","","","0.849","","","","has coordinates","225841","2020-10-21","18:00:00",""
"4515710","8.6737","0.0003","8.7731","0.0004","13.6686","0.0006","78.458","0.004","75.85","0.003","88.359","0.003","987.94","0.07","295.32","0.11","295.32","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl Ir N O -","- C18 H29 Cl Ir N O -","- C36 H58 Cl2 Ir2 N2 O2 -","2","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.0481","0.0467","","","0.1164","0.1188","","","","","","1.069","","","","has coordinates","225842","2020-10-21","18:00:00",""
"4515711","12.5365","0.0003","14.4554","0.0004","17.4788","0.0004","90","","103.091","0.003","90","","3085.19","0.14","294.05","0.1","294.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O2 S2 -","- C32 H38 N2 O2 S2 -","- C128 H152 N8 O8 S8 -","4","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.1174","0.103","","","0.3134","0.3425","","","","","","1.438","","","","has coordinates","225843","2020-10-21","18:00:00",""
"4515712","10.307","0.0013","26.879","0.003","20.89","0.003","90","","101.156","0.002","90","","5678","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12.5 Al Cl F15.5 N -","- C30 H13 Al Cl F15.5 N -","- C240 H104 Al8 Cl8 F124 N8 -","8","2","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.1086","0.0596","","","0.1534","0.1831","","","","","","1.04","","","","has coordinates","225844","2020-10-21","18:00:00",""
"4515713","9.3329","0.0006","10.0874","0.0006","11.22","0.0007","67.672","0.001","88.245","0.001","65.949","0.001","882.58","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N Si -","- C22 H21 N Si -","- C44 H42 N2 Si2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0417","0.0354","","","0.0892","0.093","","","","","","1.016","","","","has coordinates","225845","2020-10-21","18:00:00",""
"4515714","10.4075","0.001","10.6369","0.001","13.0972","0.0012","79.781","0.002","79.01","0.002","71.612","0.002","1339.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Al F16 N4 -","- C27 H14 Al F16 N4 -","- C54 H28 Al2 F32 N8 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0493","0.0419","","","0.1297","0.1398","","","","","","1.044","","","","has coordinates","225846","2020-10-21","18:00:00",""
"4515715","7.4782","0.0015","17.022","0.004","9.979","0.002","90","","107.975","0.004","90","","1208.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H9 Al F15 N -","- C27 H9 Al F15 N -","- C54 H18 Al2 F30 N2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0642","0.0489","","","0.1072","0.1157","","","","","","1.057","","","","has coordinates","225847","2020-10-21","18:00:00",""
"4515716","11.7791","0.0011","5.8649","0.0005","21.894","0.002","90","","92.863","0.001","90","","1510.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 O2 S2 -","- C15 H11 F3 O2 S2 -","- C60 H44 F12 O8 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.0512","0.0418","","","0.0712","0.0717","","","","","","3.5","","","","has coordinates","225848","2020-10-21","18:00:00",""
"4515717","10.219","0.007","20.254","0.012","10.852","0.007","90","","107.747","0.006","90","","2139","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F4 O3 S2 -","- C21 H20 F4 O3 S2 -","- C84 H80 F16 O12 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.1118","0.0543","","","0.1463","0.1922","","","","","","1.031","","","","has coordinates","225849","2020-10-21","18:00:00",""
"4515718","18.6272","0.0002","10.623","0.0001","23.1001","0.0003","90","","101.192","0.001","90","","4484.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Mn N O2 P2 -","- C21 H36 Mn N O2 P2 -","- C168 H288 Mn8 N8 O16 P16 -","8","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","1.54184","CuKα","","0.0414","0.0391","","","0.1116","0.1133","","","","","","1.1","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515719","11.6109","0.0002","18.5885","0.0002","21.5322","0.0003","90","","99.218","0.001","90","","4587.26","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Mn2 N4 O4 P4 -","- C42 H68 Mn2 N4 O4 P4 -","- C168 H272 Mn8 N16 O16 P16 -","4","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","0.71073","MoKα","","0.0426","0.0309","","","0.071","0.0773","","","","","","1.033","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515720","12.7712","0.0011","19.068","0.0014","15.4049","0.0012","90","","110.526","0.002","90","","3513.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 Fe N3 P2 Si2 -","- C29 H55 Fe N3 P2 Si2 -","- C116 H220 Fe4 N12 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0672","0.039","","","0.0807","0.0908","","","","","","1.007","","","","has coordinates","225851","2020-10-21","18:00:00",""
"4515721","10.589","0.004","12.811","0.005","15.92","0.006","92.93","0.015","104.249","0.014","99.001","0.013","2058.3","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H67 Fe N3 P3 Si2 -","- C35 H67 Fe N3 P3 Si2 -","- C70 H134 Fe2 N6 P6 Si4 -","2","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0619","0.0355","","","0.0806","0.0917","","","","","","0.99","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515722","16.778","0.0009","15.4527","0.0009","16.706","0.0011","90","","99.322","0.002","90","","4274.1","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H58 Fe N4 P2 Si2 -","- C31 H58 Fe N4 P2 Si2 -","- C124 H232 Fe4 N16 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0651","0.0417","","","0.1009","0.1165","","","","","","1.008","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515723","18.6843","0.0014","11.1179","0.0009","18.9515","0.0014","90","","110.665","0.002","90","","3683.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Fe N6 P2 -","- C40 H50 Fe N6 P2 -","- C160 H200 Fe4 N24 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0465","0.0365","","","0.0898","0.0963","","","","","","1.021","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515724","18.764","0.002","11.2867","0.0013","20.592","0.002","90","","114.08","0.003","90","","3981.5","0.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 B Fe N5 O2 P2 -","- C39 H58 B Fe N5 O2 P2 -","- C156 H232 B4 Fe4 N20 O8 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0585","0.0402","","","0.0934","0.1034","","","","","","1.041","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515725","11.6782","0.0005","8.2226","0.0004","20.44","0.001","90","","99.939","0.005","90","","1933.3","0.16","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N O Ru -","- C22 H24 Cl N O Ru -","- C88 H96 Cl4 N4 O4 Ru4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0505","0.0469","","","0.1227","0.1292","","","","","","1.028","","","","has coordinates","225852","2020-10-21","18:00:00",""
"4515726","8.295","0.007","11.086","0.01","21.615","0.016","90","","93.5","0.08","90","","1984","3","295.28","0.11","295.28","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","yjs-zlq-1","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.1258","0.1036","","","0.2167","0.253","","","","","","1.14","","","","has coordinates","225853","2020-10-21","18:00:00",""
"4515727","13.2275","0.0002","10.9193","0.0002","24.4944","0.0004","90","","98.3993","0.0017","90","","3499.9","0.1","293.4","0.5","293.4","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F6 N2 O2 Ru Sb -","- C33 H39 F6 N2 O2 Ru Sb -","- C132 H156 F24 N8 O8 Ru4 Sb4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0668","0.0596","","","0.1555","0.1654","","","","","","1.012","","","","has coordinates","225854","2020-10-21","18:00:00",""
"4515728","12.0659","0.0003","12.6901","0.0002","13.3087","0.0003","94.285","0.001","102.738","0.002","90.704","0.002","1981.22","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H43 Br Mn N O4 P2 -","- C47 H43 Br Mn N O4 P2 -","- C94 H86 Br2 Mn2 N2 O8 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0643","0.0612","","","0.161","0.1637","","","","","","1.03","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515729","10.0379","0.0001","11.3687","0.0001","15.6568","0.0002","73.97","0.001","77.542","0.001","72.82","0.001","1623.02","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H31 B Mn N O2 P2 -","- C39 H31 B Mn N O2 P2 -","- C78 H62 B2 Mn2 N2 O4 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0505","0.049","","","0.1158","0.1167","","","","","","1.038","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515730","37.5012","0.0005","37.5012","0.0005","11.98047","0.00016","90","","90","","120","","14591.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H31 Mn N2 O2 P2 -","- C39 H31 Mn N2 O2 P2 -","- C702 H558 Mn18 N36 O36 P36 -","18","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.054","0.0501","","","0.1434","0.1473","","","","","","1.072","","","","has coordinates","225855","2020-10-21","18:00:00",""
"4515731","9.7404","0.0006","13.3126","0.0008","17.0002","0.001","90","","104.115","0.003","90","","2137.9","0.2","143","","143","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br Cl2 N O Pt -","- C20 H20 Br Cl2 N O Pt -","- C80 H80 Br4 Cl8 N4 O4 Pt4 -","4","1","","Shimbayashi, Takuya; Matsushita, Gaku; Nanya, Atsushi; Eguchi, Akira; Okamoto, Kazuhiro; Ohe, Kouichi","Divergent Catalytic Approach from Cyclic Oxime Esters to Nitrogen-Containing Heterocycles with Group 9 Metal Catalysts","ACS Catalysis","2018","8","9","7773","","10.1021/acscatal.8b01646","","","0.71075","MoKα","","0.0381","0.0289","","","0.0582","0.0617","","","","","","0.997","","","","has coordinates","225856","2020-10-21","18:00:00",""
"4515732","10.0186","0.0003","10.0186","0.0003","30.9734","0.0011","90","","90","","90","","3108.87","0.17","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H41 Cl2 N Ru S -","- C33 H41 Cl2 N Ru S -","- C132 H164 Cl8 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0314","0.0287","","","0.0571","0.0583","","","","","","1.003","","","","has coordinates","225857","2020-10-21","18:00:00",""
"4515733","16.3382","0.0007","16.5805","0.0007","10.4655","0.0005","90","","90","","90","","2835.1","0.2","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H36 Cl2 F3 N Ru S -","- C28 H36 Cl2 F3 N Ru S -","- C112 H144 Cl8 F12 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0235","0.0201","","","0.0423","0.0438","","","","","","1.004","","","","has coordinates","225858","2020-10-21","18:00:00",""
"4515734","11.0669","0.0003","14.1689","0.0004","17.6536","0.0005","103.228","0.001","94.276","0.001","100.447","0.001","2630.52","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 Cl2 F3 N Ru S -","- C26 H32 Cl2 F3 N Ru S -","- C104 H128 Cl8 F12 N4 Ru4 S4 -","4","2","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0502","0.0377","","","0.0869","0.0955","","","","","","1.025","","","","has coordinates","225859","2020-10-21","18:00:00",""
"4515735","19.868","0.0007","9.2131","0.0003","17.5258","0.0007","90","","90","","90","","3208","0.2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H39 Cl4 N Ru S -","- C32 H39 Cl4 N Ru S -","- C128 H156 Cl16 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0296","0.0273","","","0.0596","0.0607","","","","","","1.005","","","","has coordinates","225860","2020-10-21","18:00:00",""
"4515736","12.6411","0.0013","16.3119","0.0016","19.7095","0.0018","90","","106.372","0.003","90","","3899.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 S Y2 -","- C43 H60 S Y2 -","- C172 H240 S4 Y8 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0943","0.0435","","","0.0758","0.0893","","","","","","1.047","","","","has coordinates","225861","2020-10-21","18:00:00",""
"4515737","16.796","0.002","8.4624","0.0013","16.616","0.002","90","","102.549","0.005","90","","2305.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 S Y -","- C25 H33 S Y -","- C100 H132 S4 Y4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0439","0.0323","","","0.0773","0.0836","","","","","","1.037","","","","has coordinates","225862","2020-10-21","18:00:00",""
"4515738","10.343","0.0007","10.6225","0.0007","10.683","0.0006","94.507","0.002","108.927","0.002","92.924","0.002","1103.18","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","1","0.5","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0501","0.0463","","","0.1549","0.1574","","","","","","1.022","","","","has coordinates","225863","2020-10-21","18:00:00",""
"4515739","9.7426","0.0009","9.7458","0.0008","18.818","0.0014","90","","90.465","0.003","90","","1786.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 S Si -","- C20 H20 S Si -","- C80 H80 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0449","0.0372","","","0.0948","0.1","","","","","","1.054","","","","has coordinates","225864","2020-10-21","18:00:00",""
"4515740","10.304","0.0007","17.9385","0.0015","11.4674","0.0009","90","","107.757","0.002","90","","2018.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N S Si -","- C23 H21 N S Si -","- C92 H84 N4 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.06","0.0445","","","0.1106","0.1198","","","","","","1.053","","","","has coordinates,has disorder","225865","2020-10-21","18:00:00",""
"4515741","9.6875","0.001","13.7823","0.0016","17.6769","0.0018","90","","90","","90","","2360.1","0.4","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl3 Ir N O3 -","- C21 H25 Cl3 Ir N O3 -","- C84 H100 Cl12 Ir4 N4 O12 -","4","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0494","0.0378","","","0.094","0.0988","","","","","","1.042","","","","has coordinates","225866","2020-10-21","18:00:00",""
"4515742","18.4094","0.0018","18.4094","0.0018","11.3169","0.0007","90","","90","","120","","3321.5","0.5","150","2","150","","","","","","","","","6","P 61","P 61","169","","","","- C21 H25 Cl Ir N O3 -","- C21 H25 Cl Ir N O3 -","- C126 H150 Cl6 Ir6 N6 O18 -","6","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0342","0.0289","","","0.067","0.0686","","","","","","1.051","","","","has coordinates","225867","2020-10-21","18:00:00",""
"4515743","7.421","0.003","16.048","0.006","8.176","0.003","90","","101.174","0.011","90","","955.2","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C40 H48 Cl2 N2 O8 -","2","1","","Schmid, Steven C.; Guzei, Ilia A.; Fernández, Israel; Schomaker, Jennifer M.","Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides.","ACS catalysis","2018","8","9","7907","7914","10.1021/acscatal.8b02206","","x-ray","0.71073","MoKα","K-L~3~","0.0472","0.0362","","","0.0774","0.0809","","","","","","1.027","","","","has coordinates","225868","2020-10-21","18:00:00",""
"4515744","16.4612","0.0008","13.7221","0.0007","26.85","0.0013","90","","90","","90","","6064.9","0.5","100","2","100","2","","","","","","","dichloromethane","6","P b c a","-P 2ac 2ab","61","","N-(2,6-diisopropyl-phenyl)-2-dicyclohexyl- phosphinyl-pyridinium hexafluoroantimonate","","- C29 H43 F6 N P Sb -","- C29 H43 F6 N P Sb -","- C232 H344 F48 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","1.54178","Cu-Kα","","0.0356","0.0339","","","0.089","0.0908","","","","","","1.048","","","","has coordinates,has disorder","225869","2020-10-21","18:00:00",""
"4515745","27.034","0.004","8.1387","0.0011","29.826","0.004","90","","95.017","0.002","90","","6537.2","1.6","100","2","100","2","","","","","","","dichloromthane, tetrahydrofuran","6","C 1 2/c 1","-C 2yc","15","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinyl-pyridinium hexafluoroantimonate","","- C30 H21 F18 N P Sb -","- C30 H21 F18 N P Sb -","- C240 H168 F144 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0643","0.0596","","","0.1159","0.1176","","","","","","1.252","","","","has coordinates,has disorder","225870","2020-10-21","18:00:00",""
"4515746","8.7962","0.0006","27.1915","0.0018","16.076","0.0014","90","","103.535","0.009","90","","3738.3","0.5","100","2","100","2","","","","","","","acetonitrile","8","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate acetonitrile","","- C32 H24 Au Cl F18 N2 P Sb -","- C32 H24 Au Cl F18 N2 P Sb -","- C128 H96 Au4 Cl4 F72 N8 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0307","0.0252","","","0.0601","0.0633","","","","","","1.109","","","","has coordinates,has disorder","225871","2020-10-21","18:00:00",""
"4515747","8.4844","0.0011","13.1717","0.0017","13.5679","0.0017","92.667","0.002","105.963","0.002","100.874","0.002","1423.8","0.3","100","2","100","2","","","","","","","tetrahydrofuran, dichloromethane","7","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinyl-pyridinium hexafluoroantimonate dichloromethane","","- C27 H27 Cl2 F6 N P Sb -","- C27 H27 Cl2 F6 N P Sb -","- C54 H54 Cl4 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0636","0.0544","","","0.1467","0.1546","","","","","","1.029","","","","has coordinates,has disorder","225872","2020-10-21","18:00:00",""
"4515748","10.6409","0.0009","16.737","0.002","17.0626","0.0014","82.428","0.008","84.084","0.005","87.346","0.009","2994.6","0.5","150","2","150","2","","","","","","","dichloromethane, pentane","8","P -1","-P 1","2","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinylchlorogold(i)- pyridinium hexafluoroantimonate","","- C26 H37 Au Cl F6 N P Sb -","- C26 H37 Au Cl F6 N P Sb -","- C104 H148 Au4 Cl4 F24 N4 P4 Sb4 -","4","2","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0899","0.0587","","","0.1377","0.1562","","","","","","1.049","","","","has coordinates,has disorder","225873","2020-10-21","18:00:00",""
"4515749","13.8885","0.0009","13.3919","0.0006","15.6069","0.0018","90","","112.626","0.006","90","","2679.4","0.4","150","2","150","2","","","","","","","dichloormethane, pentane","6","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinyl-pyridinium hexafluoroantimonate","","- C26 H37 F6 N P Sb -","- C26 H37 F6 N P Sb -","- C104 H148 F24 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0458","0.038","","","0.0948","0.1009","","","","","","1.03","","","","has coordinates,has disorder","225874","2020-10-21","18:00:00",""
"4515750","11.9033","0.0009","8.2433","0.0007","28.535","0.002","90","","99.672","0.003","90","","2760.1","0.4","100","","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl F6 Ir N P Sb -","- C26 H29 Cl F6 Ir N P Sb -","- C104 H116 Cl4 F24 Ir4 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0573","0.0506","","","0.1086","0.1109","","","","","","1.173","","","","has coordinates","225875","2020-10-21","18:00:00",""
"4515751","10.004","0.0004","10.1489","0.0004","15.7193","0.0009","107.808","0.003","92.182","0.004","112.364","0.003","1383.43","0.12","100","2","100","2","","","","","","","dichloromethane","8","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinylchlorogold(i)-pyridinium hexafluoroantimonate","","- C26 H25 Au Cl F6 N P Sb -","- C26 H25 Au Cl F6 N P Sb -","- C52 H50 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0154","0.0143","","","0.0359","0.0365","","","","","","1.091","","","","has coordinates","225876","2020-10-21","18:00:00",""
"4515752","8.9106","0.0012","12.9646","0.0017","19.744","0.003","73.397","0.002","82.399","0.002","85.849","0.002","2165.1","0.5","100","2","100","2","","","","","","","dichloromethane","9","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate dichloromethane","","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C63 H48 Au2 Cl12 F36 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0584","0.054","","","0.1243","0.1264","","","","","","1.114","","","","has coordinates,has disorder","225877","2020-10-21","18:00:00",""
"4515753","11.0227","0.0008","11.4514","0.0009","15.2564","0.0011","69.58","0.003","76.609","0.003","74.008","0.002","1715.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H40 O5 -","- C46 H40 O5 -","- C92 H80 O10 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0551","0.0487","","","0.1324","0.1379","","","","","","1.043","","","","has coordinates,has disorder","225878","2020-10-21","18:00:00",""
"4515754","8.3643","0.0009","11.8205","0.0013","13.1583","0.0014","91.321","0.002","104.359","0.002","99.991","0.002","1238.2","0.2","100","2","100","2","","","","","","","dichloromethane, tetrahydrofuran","7","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-diphenyl- phosphinyl-pyridinium hexafluoroantimonate","","- C25 H23 F6 N O2 P Sb -","- C25 H23 F6 N O2 P Sb -","- C50 H46 F12 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0273","0.0229","","","0.0569","0.0591","","","","","","0.96","","","","has coordinates","225879","2020-10-21","18:00:00",""
"4515755","26.96","0.01","8.264","0.003","9.337","0.004","90","","107.363","0.005","90","","1985.5","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Liu, Xihong; Wang, Pengxin; Bai, Lutao; Li, Dan; Wang, Linqing; Yang, Dongxu; Wang, Rui","Construction of Vicinal All-Carbon Quaternary Stereocenters Enabled by a Catalytic Asymmetric Dearomatization Reaction of β-Naphthols with 3-Bromooxindoles","ACS Catalysis","2018","8","11","10888","","10.1021/acscatal.8b03905","","","0.71073","MoKα","","0.0367","0.0341","","","0.1","0.1048","","","","","","0.999","","","","has coordinates","225880","2020-10-21","18:00:00",""
"4515756","6.4088","0.0002","7.0686","0.0002","19.8625","0.0005","90","","93.865","0.002","90","","897.75","0.04","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O -","- C22 H22 N4 O -","- C44 H44 N8 O2 -","2","1","","Marichev, Kostiantyn O.; Adly, Frady G.; Carranco, Alejandra M.; Garcia, Estevan C.; Arman, Hadi; Doyle, Michael P.","Catalyst Choice for Highly Enantioselective [3 + 3]-Cycloaddition of Enoldiazocarbonyl Compounds","ACS Catalysis","2018","8","11","10392","","10.1021/acscatal.8b03391","","x-ray","0.71073","MoKα","","0.0373","0.036","","","0.0808","0.082","","","","","","1.05","","","","has coordinates","225881","2020-10-21","18:00:00",""
"4515757","25.286","0.005","23.295","0.005","20.693","0.004","90","","127.48","0.03","90","","9673","5","200","","200","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C50.31 H48.22 B Cl1.39 F4 Fe N2 Ni O1.31 S2 -","- C50.307 H48.226 B Cl1.39 F4 Fe N2 Ni O1.306 S2 -","- C402.456 H385.808 B8 Cl11.12 F32 Fe8 N16 Ni8 O10.448 S16 -","8","1","","Brazzolotto, Deborah; Wang, Lianke; Tang, Hao; Gennari, Marcello; Queyriaux, Nicolas; Philouze, Christian; Demeshko, Serhiy; Meyer, Franc; Orio, Maylis; Artero, Vincent; Hall, Michael B.; Duboc, Carole","Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process","ACS Catalysis","2018","8","11","10658","","10.1021/acscatal.8b02830","","x-ray","0.71073","MoKα","","0.0868","0.0666","","","0.1507","0.1615","","","","","","1.241","","","","has coordinates,has disorder","225882","2020-10-21","18:00:00",""
"4515758","9.1903","0.0002","10.9348","0.0003","17.0654","0.0004","90","","90","","90","","1714.97","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","","Wang, Huamin; Li, Yongli; Tang, Zilu; Wang, Shengchun; Zhang, Heng; Cong, Hengjiang; Lei, Aiwen","Z-Selective Addition of Diaryl Phosphine Oxides to Alkynes via Photoredox Catalysis","ACS Catalysis","2018","8","11","10599","","10.1021/acscatal.8b02617","","","1.54178","CuKα","","0.0671","0.0655","","","0.167","0.1691","","","","","","1.092","","","","has coordinates","225883","2020-10-21","18:00:00",""
"4515759","12.992","0.003","16.505","0.005","17.872","0.005","90","","102.41","0.01","90","","3742.8","1.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H94 F9 Ho N4 O22 S3 -","- C58 H94 F9 Ho N4 O22 S3 -","- C116 H188 F18 Ho2 N8 O44 S6 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","1.54178","CuKα","","0.0368","0.0354","","","0.0923","0.0933","","","","","","1.042","","","","has coordinates,has disorder","225884","2020-10-21","18:00:00",""
"4515760","13.9107","0.0009","13.9185","0.0008","15.4002","0.001","90","","109.507","0.004","90","","2810.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N2 O6 S -","- C30 H32 N2 O6 S -","- C120 H128 N8 O24 S4 -","4","2","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.0536","0.0411","","","0.0879","0.0957","","","","","","1.001","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515761","9.458","0.003","25.399","0.008","11.67","0.004","90","","93.281","0.012","90","","2798.8","1.6","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C84 H120 Br4 F18 N8 O32 S6 Tm2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.118","0.0778","","","0.1882","0.2152","","","","","","1.028","","","","has coordinates,has disorder","225886","2020-10-21","18:00:00",""
"4515762","9.3322","0.0003","18.7754","0.0005","9.4931","0.0003","90","","107.649","0.003","90","","1585.05","0.09","296.31","0.1","296.31","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O6 S -","- C36 H36 N2 O6 S -","- C72 H72 N4 O12 S2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","x-ray","1.54184","CuKα","","0.0515","0.0504","","","0.1282","0.1303","","","","","","1.048","","","","has coordinates","225887","2020-10-21","18:00:00",""
"4515763","12.2999","0.0013","14.3668","0.0016","15.8349","0.0018","90","","90","","90","","2798.2","0.5","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl F N4 O8 -","- C27 H28 Cl F N4 O8 -","- C108 H112 Cl4 F4 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.1043","0.067","","","0.169","0.1906","","","","","","1.031","","","","has coordinates","225888","2020-10-21","18:00:00",""
"4515764","12.4437","0.0012","15.4069","0.0015","15.5019","0.0016","90","","90","","90","","2972","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N4 O8 -","- C27 H28 Cl2 N4 O8 -","- C108 H112 Cl8 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.0631","0.0487","","","0.1304","0.1408","","","","","","1.054","","","","has coordinates,has disorder","225889","2020-10-21","18:00:00",""
"4515765","10.4443","0.0003","14.5326","0.0004","38.8497","0.001","90","","90","","90","","5896.7","0.3","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H31 N5 O7 -","- C30 H31 N5 O7 -","- C240 H248 N40 O56 -","8","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","1.54178","CuKα","","0.045","0.0433","","","0.1034","0.1047","","","","","","1.071","","","","has coordinates","225890","2020-10-21","18:00:00",""
"4515766","11.7118","0.0006","39.9043","0.0017","6.266","0.0003","90","","97.254","0.002","90","","2905","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N O4 S -","- C32 H39 N O4 S -","- C128 H156 N4 O16 S4 -","4","1","","Jiang, Fei; Yuan, Fu-Ru; Jin, Li-Wen; Mei, Guang-Jian; Shi, Feng","Metal-Catalyzed (4 + 3) Cyclization of Vinyl Aziridines withpara-Quinone Methide Derivatives","ACS Catalysis","2018","8","11","10234","","10.1021/acscatal.8b03410","","","0.71073","MoKα","","0.0959","0.0648","","","0.1724","0.2012","","","","","","1.018","","","","has coordinates","225891","2020-10-21","18:00:00",""
"4515767","6.7169","0.0005","11.3747","0.0007","13.8249","0.001","67.899","0.007","87.885","0.006","79.889","0.006","962.96","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O3 Pd -","- C22 H22 N2 O3 Pd -","- C44 H44 N4 O6 Pd2 -","2","1","","Maji, Arun; Reddi, Yernaidu; Sunoj, Raghavan B.; Maiti, Debabrata","Mechanistic Insights on Orthogonal Selectivity in Heterocycle Synthesis","ACS Catalysis","2018","8","11","10111","","10.1021/acscatal.8b02537","","x-ray","0.71073","MoKα","","0.0633","0.0472","","","0.0892","0.0994","","","","","","1.039","","","","has coordinates","225892","2020-10-21","18:00:00",""
"4515768","10.4797","0.0004","13.5923","0.0005","13.9879","0.0006","91.294","0.002","92.227","0.003","91.361","0.002","1989.86","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H51 Bi O8 P Rh -","- C38 H51 Bi O8 P Rh -","- C76 H102 Bi2 O16 P2 Rh2 -","2","1","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0614","0.0408","","","0.0879","0.0959","","","","","","1.02","","","","has coordinates,has disorder","225893","2020-10-21","18:00:00",""
"4515769","22.2169","0.0005","22.2169","0.0005","10.9063","0.0003","90","","90","","90","","5383.2","0.2","200","2","200","","","","","","","","","7","I 4","I 4","79","","","","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C135.68 H191.36 Bi2 N8 O35.92 Rh2 S8 -","2","0.25","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0444","0.0361","","","0.0913","0.0956","","","","","","1.07","","","","has coordinates,has disorder","225894","2020-10-21","18:00:00",""
"4515770","7.1256","0.0002","13.4641","0.0004","8.7896","0.0003","90","","102.373","0.001","90","","823.69","0.04","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H28 Cl Ir P2 -","- C14 H28 Cl Ir P2 -","- C28 H56 Cl2 Ir2 P4 -","2","0.5","","Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun","Rational Design of a Catalyst for the Selective Monoborylation of Methane","ACS Catalysis","2018","8","11","10021","","10.1021/acscatal.8b02771","","","0.71073","MoKα","","0.0194","0.0163","","","0.034","0.0349","","","","","","1.059","","","","has coordinates,has disorder","225895","2020-10-21","18:00:00",""
"4515771","9.2992","0.0011","15.198","0.0011","12.6751","0.0008","90","","99.38","0.009","90","","1767.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C72 H104 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.1051","0.0647","","","0.1416","0.1775","","","","","","1.053","","","","has coordinates","225896","2020-10-21","18:00:00",""
"4515772","10.5957","0.0009","18.8441","0.0017","7.6415","0.0005","90","","90","","90","","1525.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.0607","0.0469","","","0.0947","0.1048","","","","","","1.064","","","","has coordinates","225897","2020-10-21","18:00:00",""
"4515773","9.097","0.004","12.191","0.005","13.111","0.005","114.466","0.006","95.343","0.007","108.732","0.007","1209.5","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.0828","0.0508","","","0.1369","0.1579","","","","","","1.009","","","","has coordinates","225898","2020-10-21","18:00:00",""
"4515774","12.157","0.003","12.525","0.002","12.945","0.003","90","","91.141","0.005","90","","1970.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.1588","0.0614","","","0.1272","0.1691","","","","","","0.987","","","","has coordinates","225899","2020-10-21","18:00:00",""
"4515775","11.6456","0.0007","5.1414","0.0003","13.0095","0.0007","90","","110.064","0.004","90","","731.67","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Hota, Pradip Kumar; Sau, Samaresh Chandra; Mandal, Swadhin K.","Metal-Free Catalytic Formylation of Amides Using CO2 under Ambient Conditions","ACS Catalysis","2018","8","12","11999","","10.1021/acscatal.8b04023","","","0.71073","MoKα","","0.0775","0.045","","","0.1169","0.1319","","","","","","0.897","","","","has coordinates","225900","2020-10-21","18:00:00",""
"4515776","7.4546","0.0012","13.367","0.002","24.063","0.004","90","","90","","90","","2397.8","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br I N2 O4 S -","- C24 H22 Br I N2 O4 S -","- C96 H88 Br4 I4 N8 O16 S4 -","4","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0322","0.0284","","","0.0682","0.0694","","","","","","1.05","","","","has coordinates","225901","2020-10-21","18:00:00",""
"4515777","6.8374","0.0003","14.8665","0.0006","12.6176","0.0006","90","","105.716","0.0015","90","","1234.61","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 I N2 O4 S -","- C26 H25 I N2 O4 S -","- C52 H50 I2 N4 O8 S2 -","2","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0204","0.02","","","0.0526","0.0527","","","","","","1.082","","","","has coordinates","225902","2020-10-21","18:00:00",""
"4515778","24.897","0.003","5.8589","0.0006","26.361","0.003","90","","100.161","0.004","90","","3784.9","0.7","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O3 -","- C26 H18 O3 -","- C208 H144 O24 -","8","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0983","0.0532","","","0.0994","0.1152","","","","","","1.018","","","","has coordinates","225903","2020-10-21","18:00:00",""
"4515779","5.8118","0.0008","7.6603","0.001","13.506","0.002","82.491","0.007","89.314","0.007","82.461","0.007","590.97","0.14","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0455","0.0358","","","0.0858","0.0908","","","","","","1.055","","","","has coordinates","225904","2020-10-21","18:00:00",""
"4515780","7.7134","0.0003","7.817","0.0003","7.9908","0.0003","97.754","0.003","108.946","0.003","112.35","0.004","402.67","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.7107","MoKα","","0.034","0.03","","","0.0642","0.0665","","","","","","1.117","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515781","7.1984","0.0005","9.6255","0.0006","12.8058","0.0008","68.524","0.016","86.291","0.018","81.137","0.018","815.79","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0286","0.024","","","0.0559","0.058","","","","","","1.051","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515782","9.6082","0.0006","9.7882","0.0007","10.2905","0.0006","106.301","0.008","106.481","0.008","110.355","0.008","788.82","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0269","0.0246","","","0.0632","0.0638","","","","","","1.239","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515783","9.7378","0.0006","11.39","0.0007","16.7268","0.0009","90","","93.494","0.01","90","","1851.78","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl8 D6 N2 W2 -","- C30 H34 Cl8 D6 N2 W2 -","- C60 H68 Cl16 D12 N4 W4 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0305","","","0.0611","0.0654","","","","","","1.059","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515784","11.3589","0.0005","11.3408","0.0005","11.9422","0.0006","90","","100.845","0.006","90","","1510.91","0.12","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 F3 N O W -","- C10 H10 Cl4 F3 N O W -","- C40 H40 Cl16 F12 N4 O4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0317","0.0209","","","0.0466","0.0488","","","","","","0.997","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515785","8.5798","0.0007","14.0708","0.001","17.3875","0.0014","95.674","0.01","98.423","0.009","97.281","0.009","2044.9","0.3","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl4 N O W -","- C16 H25 Cl4 N O W -","- C64 H100 Cl16 N4 O4 W4 -","4","2","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0433","0.0284","","","0.0596","0.0645","","","","","","1.03","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515786","9.5696","0.0003","10.714","0.0003","40.8756","0.0012","90","","90","","90","","4190.9","0.2","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H54 Cl7 N3 W2 -","- C32 H54 Cl7 N3 W2 -","- C128 H216 Cl28 N12 W8 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.1053","0.0926","","","0.1621","0.1673","","","","","","1.287","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515787","15.7347","0.0005","13.6973","0.0004","12.7686","0.0004","90","","90","","90","","2751.93","0.15","120","2","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H45 Cl N P3 W -","- C21 H45 Cl N P3 W -","- C84 H180 Cl4 N4 P12 W4 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0577","0.0545","","","0.1297","0.1311","","","","","","1.386","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515788","6.3483","0.001","7.2804","0.0011","11.9671","0.0018","90","","93.604","0.01","90","","552","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(phenylimido)trimethyl tungsten chloride","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0404","0.0405","","","","","","1.323","","","","has coordinates,has disorder","266888","2021-07-02","05:34:22",""
"4515789","10.0824","0.0005","16.3429","0.001","13.3029","0.0007","90","","96.616","0.006","90","","2177.4","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Al Cl4 N W -","- C15 H26 Al Cl4 N W -","- C60 H104 Al4 Cl16 N4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0198","0.0161","","","0.0342","0.0351","","","","","","1.034","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515790","14.4162","0.0002","32.8597","0.0006","20.2434","0.0004","90","","109.886","0.002","90","","9017.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H120 Co2 N7 O34 V W9 -","- C56 H120 Co2 N7 O34 V W9 -","- C224 H480 Co8 N28 O136 V4 W36 -","4","1","","Sullivan, Kevin P.; Wieliczko, Marika; Kim, Mooeung; Yin, Qiushi; Collins-Wildman, Daniel L.; Mehta, Anil K.; Bacsa, John; Lu, Xinlin; Geletii, Yurii V.; Hill, Craig L.","Speciation and Dynamics in the [Co4V2W18O68]10‒/Co(II)aq/CoOx Catalytic Water Oxidation System","ACS Catalysis","2018","8","12","11952","","10.1021/acscatal.7b01030","","x-ray","0.71073","MoKα","","0.1281","0.1151","","","0.2831","0.2904","","","","","","1.163","","","","has coordinates,has disorder","225906","2020-10-21","18:00:00",""
"4515791","9.9646","0.0015","31.521","0.005","6.9339","0.0007","90","","101.603","0.012","90","","2133.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Wang, Huifei; Qiu, Shuxian; Wang, Sasa; Zhai, Hongbin","Pd-Catalyzed Umpolung of π‒Allylpalladium Intermediates: Assembly of All-Carbon α-Vinyl Quaternary Aldehydes through C(sp3)‒C(sp3) Coupling","ACS Catalysis","2018","8","12","11960","","10.1021/acscatal.8b03814","","x-ray","1.54184","CuKα","","0.1276","0.0965","","","0.2589","0.2933","","","","","","1.046","","","","has coordinates","225907","2020-10-21","18:00:00",""
"4515792","11.7665","0.0011","26.084","0.003","21.832","0.0018","90","","92.097","0.003","90","","6696.1","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","shs302m","","","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C240 H168 Br8 Cu4 F48 N24 O32 Sb8 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.2371","0.1755","","","0.4966","0.5348","","","","","","1.976","","","","has coordinates,has disorder","225908","2020-10-21","18:00:00",""
"4515793","26.796","0.002","14.7426","0.0014","22.903","0.003","90","","114.796","0.0015","90","","8213.5","1.5","103","2","103","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Br2 Cu F6 N12 O15 P -","- C76 H92 Br2 Cu F6 N12 O15 P -","- C304 H368 Br8 Cu4 F24 N48 O60 P4 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.1944","0.0866","","","0.2333","0.2711","","","","","","0.935","","","","has coordinates,has disorder","225909","2020-10-21","18:00:00",""
"4515794","5.6607","0.0011","8.2437","0.0016","10.596","0.002","96.24","0.03","99.41","0.03","96.49","0.03","480.59","0.17","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","1","1","","Tong, Hua-Rong; Zheng, Sujuan; Li, Xinghua; Deng, Zhiqiang; Wang, Hao; He, Gang; Peng, Qian; Chen, Gong","Pd(0)-Catalyzed Bidentate Auxiliary Directed Enantioselective Benzylic C‒H Arylation of 3-Arylpropanamides Using the BINOL Phosphoramidite Ligand","ACS Catalysis","2018","8","12","11502","","10.1021/acscatal.8b03654","","","0.71073","MoKα","","0.0557","0.0352","","","0.0574","0.0612","","","","","","0.799","","","","has coordinates","225910","2020-10-21","18:00:00",""
"4515795","11.3157","0.0004","11.3157","0.0004","31.5787","0.0014","90","","90","","90","","4043.5","0.3","100","","99.97","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 N12 Ni2 -","- C40 H32 N12 Ni2 -","- C160 H128 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C–H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.02","0.0196","","","0.0534","0.0536","","","","","","1.047","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4515796","13.3888","0.0013","8.0065","0.0008","22.9811","0.0017","90","","95.656","0.003","90","","2451.5","0.4","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F N3 -","- C14 H14 F N3 -","- C112 H112 F8 N24 -","8","2","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C‒H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0549","0.0464","","","0.1263","0.1331","","","","","","1.04","","","","has coordinates","225912","2020-10-21","18:00:00",""
"4515797","9.5253","0.0004","16.5175","0.0007","22.4483","0.001","90","","90","","90","","3531.9","0.3","99.97","","99.97","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C40 H28 F4 N12 Ni2 -","- C40 H28 F4 N12 Ni2 -","- C160 H112 F16 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C‒H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0701","0.0678","","","0.155","0.1558","","","","","","1.353","","","","has coordinates,has disorder","225913","2020-10-21","18:00:00",""
"4515798","11.1442","0.0012","12.9041","0.0013","13.9829","0.0014","101.643","0.004","97.123","0.004","109.481","0.004","1816.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(BINAP)CuSCF3","","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","1","0.5","","He, Jian; Chen, Caiyou; Fu, Gregory C.; Peters, Jonas C.","Visible-Light-Induced, Copper-Catalyzed Three-Component Coupling of Alkyl Halides, Olefins, and Trifluoromethylthiolate to Generate Trifluoromethyl Thioethers.","ACS catalysis","2018","8","12","11741","11748","10.1021/acscatal.8b04094","","","0.71073","MoKα","","0.0618","0.0405","","","0.1041","0.1151","","","","","","1.055","","","","has coordinates","225914","2020-10-21","18:00:00",""
"4515799","10.1167","0.0017","9.2912","0.0016","10.2864","0.0016","90","","105.881","0.005","90","","930","0.3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 Fe S2 -","- C24 H18 Fe S2 -","- C48 H36 Fe2 S4 -","2","1","","Xu, Bing-Bin; Ye, Jie; Yuan, Yu; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric C‒H Arylation for the Synthesis of Planar Chiral Benzothiophene-Fused Ferrocenes","ACS Catalysis","2018","8","12","11735","","10.1021/acscatal.8b03912","","","0.71073","MoKα","","0.057","0.035","","","0.0615","0.0664","","","","","","1.013","","","","has coordinates","225915","2020-10-21","18:00:00",""
"4515800","17.8919","0.0006","12.6768","0.0004","19.8115","0.0007","90","","114.361","0.002","90","","4093.4","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Cl N4 Ni O P -","- C45 H51 Cl N4 Ni O P -","- C180 H204 Cl4 N16 Ni4 O4 P4 -","4","1","","Wang, Ting-Hsuan; Ambre, Ram; Wang, Qing; Lee, Wei-Chih; Wang, Pen-Cheng; Liu, Yuhua; Zhao, Lili; Ong, Tiow-Gan","Nickel-Catalyzed Heteroarenes Cross Coupling via Tandem C‒H/C‒O Activation","ACS Catalysis","2018","8","12","11368","","10.1021/acscatal.8b03436","","","0.71073","MoKα","","0.0877","0.0448","","","0.0729","0.0855","","","","","","1.048","","","","has coordinates","225917","2020-10-21","18:00:00",""
"4515801","9.8622","0.0009","17.5716","0.0013","19.3465","0.0016","90","","90","","90","","3352.6","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 Cl2 N4 W -","- C34 H44 Cl2 N4 W -","- C136 H176 Cl8 N16 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0409","0.0297","","","0.0559","0.0595","","","","","","0.998","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515802","10.5486","0.0009","16.4202","0.0014","17.086","0.0013","90","","90","","90","","2959.5","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl2 N2 P W -","- C27 H43 Cl2 N2 P W -","- C108 H172 Cl8 N8 P4 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0393","0.0334","","","0.0711","0.0731","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515803","12.0005","0.0005","12.4893","0.0005","13.5857","0.0006","90","","90","","90","","2036.2","0.15","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F6 N2 O2 W -","- C16 H14 Cl2 F6 N2 O2 W -","- C64 H56 Cl8 F24 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.058","0.0486","","","0.129","0.1377","","","","","","1.062","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515804","32.8492","0.0013","32.8492","0.0013","20.7376","0.0009","90","","90","","120","","19379.3","1.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.4 H45 Cl2 N2 O2.2 W -","- C52 H44 Cl2 N2 O2 W -","- C936 H792 Cl36 N36 O36 W18 -","18","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0752","0.0414","","","0.0761","0.084","","","","","","0.965","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515805","12.5254","0.0006","27.3985","0.0015","9.0867","0.0005","90","","105.516","0.005","90","","3004.7","0.3","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F18 N2 O2 W -","- C22 H14 Cl2 F18 N2 O2 W -","- C88 H56 Cl8 F72 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0265","0.0228","","","0.0482","0.0493","","","","","","1.119","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515806","7.3379","0.0003","7.8387","0.0004","17.8616","0.0008","87.953","0.007","81.828","0.007","87.079","0.007","1015.22","0.08","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Cl2 F10 N2 O2 W -","- C16 H10 Cl2 F10 N2 O2 W -","- C32 H20 Cl4 F20 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0247","0.02","","","0.0451","0.0464","","","","","","1.036","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515807","13.4052","0.0006","9.8029","0.0006","18.7197","0.0009","90","","109.016","0.008","90","","2325.7","0.2","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 Cl2 N2 O2 W -","- C19 H34 Cl2 N2 O2 W -","- C76 H136 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0301","0.025","","","0.055","0.0574","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515808","9.8343","0.0006","9.9604","0.0006","13.7645","0.0008","70.528","0.008","85.509","0.008","71.846","0.008","1207.4","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl2 N2 O2 W -","- C20 H36 Cl2 N2 O2 W -","- C40 H72 Cl4 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0306","0.0266","","","0.0662","0.069","","","","","","1.042","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515809","9.0974","0.0005","12.8175","0.0008","14.1008","0.001","112.357","0.009","90.965","0.009","99.035","0.009","1496.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C55 H87.5 Cl5 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.03","0.0248","","","0.0576","0.0595","","","","","","1.046","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515810","12.1544","0.0012","10.4027","0.0011","24.447","0.002","90","","91.001","0.009","90","","3090.6","0.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl5 N2 O2 W -","- C28 H35 Cl5 N2 O2 W -","- C112 H140 Cl20 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0202","0.018","","","0.0387","0.0396","","","","","","1.052","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515811","8.8303","0.0005","11.5526","0.0006","12.8453","0.0007","77.061","0.006","85.454","0.006","74.916","0.006","1232.81","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl2 F3 N2 O2 W -","- C22 H29 Cl2 F3 N2 O2 W -","- C44 H58 Cl4 F6 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0295","0.0229","","","0.0468","0.0487","","","","","","1.017","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515812","16.4344","0.0006","10.2454","0.0003","17.7291","0.0007","90","","90","","90","","2985.17","0.18","120","2","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H32 Cl4 N4 O6 W -","- C23 H32 Cl4 N4 O6 W -","- C92 H128 Cl16 N16 O24 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","K-L~3~","0.0332","0.0266","","","0.0578","0.0607","","","","","","1.05","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515813","16.2309","0.0009","10.3469","0.0007","22.3012","0.0013","90","","103.618","0.011","90","","3640","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 N2 O2 W -","- C40 H44 Cl2 N2 O2 W -","- C160 H176 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","K-L~3~","0.0474","0.028","","","0.0533","0.0582","","","","","","0.936","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515814","8.535","0.003","10.595","0.004","11.444","0.004","79.5","0.006","87.548","0.007","81.464","0.007","1006.1","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1168","0.0651","","","0.1855","0.2245","","","","","","0.8733","","","","has coordinates","225919","2020-10-21","18:00:00",""
"4515815","9.737","0.004","10.551","0.004","11.09","0.004","68.032","0.007","80.699","0.007","75.858","0.008","1021.5","0.7","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1313","0.0715","","","0.1845","0.2193","","","","","","1.027","","","","has coordinates","225920","2020-10-21","18:00:00",""
"4515816","8.9557","0.0014","9.9317","0.0015","13.533","0.003","90","","104.289","0.002","90","","1166.5","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C54 H66 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.059","0.0523","","","0.146","0.1537","","","","","","1.106","","","","has coordinates","225921","2020-10-21","18:00:00",""
"4515817","15.878","0.002","10.9673","0.0015","16.462","0.002","90","","90.174","0.002","90","","2866.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O3 Os P2 -","- C28 H44 O3 Os P2 -","- C112 H176 O12 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","Dehydrogenation of Formic Acid Promoted by a Trihydride-Hydroxo-Osmium(IV) Complex: Kinetics and Mechanism","ACS Catalysis","2018","8","12","11314","","10.1021/acscatal.8b02370","","","0.71073","MoKα","","0.0744","0.0363","","","0.0832","0.1004","","","","","","1.06","","","","has coordinates,has disorder","225922","2020-10-21","18:00:00",""
"4515818","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","225923","2020-10-21","18:00:00",""
"4515819","11.4924","0.0008","18.4018","0.0013","20.7858","0.0015","90","","90","","90","","4395.8","0.5","133","2","133","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 F3 Fe N2 O6 P Pd S -","- C47 H44 F3 Fe N2 O6 P Pd S -","- C188 H176 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0381","0.0328","","","0.0748","0.0776","","","","","","1.013","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4515820","11.5846","0.0011","16.3753","0.0015","25.133","0.002","90","","90","","90","","4767.8","0.7","293","2","293","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C192 H180 Cl12 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0807","0.0627","","","0.1439","0.1529","","","","","","0.978","","","","has coordinates","225925","2020-10-21","18:00:00",""
"4515821","14.2235","0.001","16.3932","0.0011","19.5487","0.0014","90","","98.023","0.001","90","","4513.5","0.5","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Fe Ni O P2 -","- C53 H61 Fe Ni O P2 -","- C212 H244 Fe4 Ni4 O4 P8 -","4","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54178","CuKα","","0.0304","0.0255","","","0.0673","0.0689","","","","","","1.059","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515822","23.2567","0.0004","16.9768","0.0002","21.0881","0.0005","90","","106.649","0.002","90","","7977","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 Fe Ni P2 -","- C43 H39 Fe Ni P2 -","- C344 H312 Fe8 Ni8 P16 -","8","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54184","CuKα","","0.0404","0.0348","","","0.0909","0.0951","","","","","","1.035","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515823","14.0344","0.0009","13.358","0.0009","23.5713","0.0019","90","","95.985","0.007","90","","4394.9","0.5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H53 Fe Ni P2 -","- C56 H53 Fe Ni P2 -","- C224 H212 Fe4 Ni4 P8 -","4","0.5","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.0778","0.0475","","","0.1098","0.1246","","","","","","1.026","","","","has coordinates,has disorder","225926","2020-10-21","18:00:00",""
"4515824","10.4283","0.0005","13.6108","0.0006","19.5796","0.001","77.34","0.004","81.336","0.004","88.445","0.004","2680.5","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H67 Br Fe Ni P2 -","- C63 H67 Br Fe Ni P2 -","- C126 H134 Br2 Fe2 Ni2 P4 -","2","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.1116","0.0828","","","0.2071","0.2321","","","","","","1.019","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515825","17.4154","0.0014","17.0027","0.0015","9.3236","0.0008","90","","90","","90","","2760.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H24 N6 O4 Ru -","- C31 H24 N6 O4 Ru -","- C124 H96 N24 O16 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0344","0.0266","","","0.058","0.0607","","","","","","1.035","","","","has coordinates","225927","2020-10-21","18:00:00",""
"4515826","11.7638","0.0009","16.7628","0.0011","15.8332","0.0011","90","","107.656","0.002","90","","2975.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H28 N5 O6.5 Ru -","- C28.5 H28 N5 O6.5 Ru -","- C114 H112 N20 O26 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.71073","MoKα","","0.1135","0.0632","","","0.1475","0.1761","","","","","","1.018","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515827","17.9909","0.0003","22.189","0.0004","15.3463","0.0002","90","","90","","90","","6126.24","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55 H48 Ce N15 O26 Ru2 -","- C55 H48 Ce N15 O26 Ru2 -","- C220 H192 Ce4 N60 O104 Ru8 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0388","0.0345","","","0.0888","0.0907","","","","","","1.141","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515828","22.2892","0.0009","22.2235","0.0008","15.7911","0.0007","90","","101.936","0.001","90","","7652.9","0.5","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2.778 H2.333 Cu0.111 N0.444 O0.778 S0.222 -","- C2.77778 H2.33333 Cu0.111111 N0.444444 O0.777778 S0.222222 -","- C200 H168 Cu8 N32 O56 S16 -","72","9","","Zhang, Guiyang; Yang, Huimin; Fei, Honghan","Unusual Missing Linkers in an Organosulfonate-Based Primitive‒Cubic (pcu)-Type Metal‒Organic Framework for CO2 Capture and Conversion under Ambient Conditions","ACS Catalysis","2018","8","3","2519","","10.1021/acscatal.7b04189","","","0.71073","","","0.0869","0.0746","","","","0.2079","","","","","","1.0744","","","","has coordinates","225928","2020-10-21","18:00:00",""
"4516212","10.6622","0.0003","18.8079","0.0005","12.1539","0.0004","90","","94.352","0.001","90","","2430.24","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MoTp(NO)(DMAP)(η2-Cyclohexene)","","","- C22 H30 B Mo N9 O -","- C22 H30 B Mo N9 O -","- C88 H120 B4 Mo4 N36 O4 -","4","1","","Dakermanji, Steven J.; Smith, Jacob A.; Westendorff, Karl S.; Pert, Emmit K.; Chung, Andrew D.; Myers, Jeffery T.; Welch, Kevin D.; Dickie, Diane A.; Harman, W. Dean","Electron-Transfer Chain Catalysis of η2-Arene, η2-Alkene, and η2-Ketone Exchange on Molybdenum","ACS Catalysis","2019","","","11274","","10.1021/acscatal.9b04191","","","0.71073","MoKα","","0.0321","0.0241","","","0.057","0.0602","","","","","","1.021","","","","has coordinates","227448","2020-10-21","18:00:00",""
"4516214","7.4139","0.0008","12.1658","0.0012","17.3075","0.0018","89.281","0.003","88.144","0.003","71.583","0.003","1480.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Fe2 N2 O4 Pd2 -","- C30 H38 Fe2 N2 O4 Pd2 -","- C60 H76 Fe4 N4 O8 Pd4 -","2","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.065","0.0467","","","0.0847","0.0902","","","","","","1.132","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516215","15.4063","0.0007","23.1323","0.0011","21.3599","0.001","90","","90","","90","","7612.3","0.6","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C37 H47 Fe2 N4 O6 Pd2 -","- C37 H47 Fe2 N4 O6 Pd2 -","- C296 H376 Fe16 N32 O48 Pd16 -","8","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.71073","MoKα","","0.0541","0.036","","","0.079","0.0869","","","","","","1.05","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516216","9.6729","0.001","10.7575","0.0011","16.1377","0.0016","90","","90","","90","","1679.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Fe N2 O -","- C18 H24 Fe N2 O -","- C72 H96 Fe4 N8 O4 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0276","0.0239","","","0.0549","0.0562","","","","","","1.046","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516217","20.0614","0.0017","9.2769","0.0008","13.7686","0.0012","90","","90","","90","","2562.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H60 N4 O6 Pd2 -","- C46 H60 N4 O6 Pd2 -","- C92 H120 N8 O12 Pd4 -","2","0.5","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0245","0.0211","","","0.0465","0.0474","","","","","","1.044","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516218","9.4493","0.0005","19.4338","0.0012","25.5923","0.0015","90","","90","","90","","4699.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H60 N4 O6 Pd2 -","- C46 H60 N4 O6 Pd2 -","- C184 H240 N16 O24 Pd8 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.41328","synchrotron","","0.0318","0.0283","","","0.0653","0.0664","","","","","","1.119","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516219","9.6636","0.0004","18.8875","0.0007","16.9545","0.0006","90","","94.675","0.001","90","","3084.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 N2 O4 Pd2 -","- C34 H38 N2 O4 Pd2 -","- C136 H152 N8 O16 Pd8 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.0329","0.0263","","","0.0635","0.0657","","","","","","1.057","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516220","12.4112","0.0008","25.3634","0.0016","5.907","0.0003","90","","90","","90","","1859.47","0.19","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 N2 O2 Pd -","- C20 H26 N2 O2 Pd -","- C80 H104 N8 O8 Pd4 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.0253","0.0224","","","0.0469","0.0475","","","","","","1.074","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516221","19.9077","0.0006","12.8327","0.0004","22.0152","0.0007","90","","90","","90","","5624.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 N2 O4 Pd -","- C32 H32 N2 O4 Pd -","- C256 H256 N16 O32 Pd8 -","8","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.034","0.0321","","","0.0867","0.0881","","","","","","1.123","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516222","9.319","0.0011","10.4167","0.0012","13.8973","0.0016","98.151","0.002","97.964","0.003","108.691","0.003","1240.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 Fe N2 O5 Pd -","- C25 H33 Fe N2 O5 Pd -","- C50 H66 Fe2 N4 O10 Pd2 -","2","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.71073","MoKα","","0.0803","0.0429","","","0.0882","0.1005","","","","","","0.982","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516223","6.0598","0.0004","6.0598","0.0004","60.491","0.004","90","","90","","90","","2221.3","0.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 N2 O5 Pd -","- C22 H30 N2 O5 Pd -","- C88 H120 N8 O20 Pd4 -","4","0.5","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0517","0.0455","","","0.0984","0.1005","","","","","","1.056","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516226","14.3719","0.0006","6.4267","0.0003","25.3093","0.0011","90","","90","","90","","2337.67","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Ghosh, Koushik; Nishii, Yuji; Miura, Masahiro","Rhodium-Catalyzed Annulative Coupling Using Vinylene Carbonate as an Oxidizing Acetylene Surrogate","ACS Catalysis","2019","","","11455","","10.1021/acscatal.9b04254","","x-ray","1.54184","CuKα","","0.0499","0.045","","","0.1154","0.1206","","","","","","1.057","","","","has coordinates","227805","2020-10-21","18:00:00",""
"4516227","13.0701","0.0003","12.556","0.0003","10.8819","0.0003","90","","104.883","0.002","90","","1725.9","0.08","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl3 N2 -","- C20 H13 Cl3 N2 -","- C80 H52 Cl12 N8 -","4","1","","Ghosh, Koushik; Nishii, Yuji; Miura, Masahiro","Rhodium-Catalyzed Annulative Coupling Using Vinylene Carbonate as an Oxidizing Acetylene Surrogate","ACS Catalysis","2019","","","11455","","10.1021/acscatal.9b04254","","x-ray","1.54184","CuKα","","0.0412","0.039","","","0.1069","0.1093","","","","","","1.064","","","","has coordinates","227806","2020-10-21","18:00:00",""
"4516228","8.8085","0.001","10.3259","0.0012","22.243","0.003","90","","90","","90","","2023.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 S2 -","- C18 H20 N2 O5 S2 -","- C72 H80 N8 O20 S8 -","4","1","","Zou, Jiaoxia; Chen, Jinhong; Shi, Tao; Hou, Yongsheng; Cao, Fei; Wang, Yongqiang; Wang, Xiaodong; Jia, Zhong; Zhao, Quanyi; Wang, Zhen","Phthalimide-Carried Disulfur Transfer To Synthesize Unsymmetrical Disulfanes via Copper Catalysis","ACS Catalysis","2019","","","11426","","10.1021/acscatal.9b04326","","","0.71073","MoKα","","0.0541","0.0445","","","0.1219","0.1299","","","","","","1.001","","","","has coordinates","227807","2020-10-21","18:00:00",""
"4516231","6.1055","0.0002","7.4185","0.0003","22.4266","0.0008","90","","90","","90","","1015.78","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.0338","0.0334","","0.0865","0.0862","0.0865","","","","","","1.0352","","","","has coordinates","231051","2020-10-21","18:00:00",""
"4516232","6.1306","0.0003","7.3825","0.0003","25.8514","0.0012","90","","90","","90","","1170.01","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.0277","0.0267","","0.0703","0.0696","0.0703","","","","","","1.0014","","","","has coordinates","231052","2020-10-21","18:00:00",""
"4516233","6.1359","0.0001","7.2261","0.0001","23.2488","0.0004","90","","90","","90","","1030.82","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.021","0.021","","0.0569","0.0569","0.0569","","","","","","1.2133","","","","has coordinates","231053","2020-10-21","18:00:00",""
"4516234","6.7404","0.0017","10.373","0.003","13.488","0.004","90","","90.437","0.007","90","","943","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","","Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki","High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols","ACS Catalysis","2019","","","11619","","10.1021/acscatal.9b04322","","","0.71075","MoKα","","0.0807","0.0741","","","0.21","0.2201","","","","","","1.07","","","","has coordinates","231087","2020-10-21","18:00:00",""
"4516235","9.8131","0.0013","16.46","0.002","19.469","0.003","90","","90","","90","","3144.7","0.7","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O7 -","- C38 H42 O7 -","- C152 H168 O28 -","4","1","","Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki","High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols","ACS Catalysis","2019","","","11619","","10.1021/acscatal.9b04322","","","0.71075","MoKα","","0.0503","0.0414","","","0.1026","0.107","","","","","","1.033","","","","has coordinates","231088","2020-10-21","18:00:00",""
"4516239","34.081","0.003","10.527","0.0008","22.0782","0.0018","90","","114.326","0.002","90","","7217.8","1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3a in manuscript","","","- C33.5 H31.5 Cl4.5 N2 O5 S2 -","- C33.5 H31.5 Cl4.5 N2 O5 S2 -","- C268 H252 Cl36 N16 O40 S16 -","8","1","","Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides","ACS Catalysis","2019","","","11663","","10.1021/acscatal.9b03911","","","0.71073","MoKα","","0.1184","0.068","","","0.1533","0.1904","","","","","","1.033","","","","has coordinates,has disorder","231129","2020-10-21","18:00:00",""
"4516240","10.1824","0.0019","12.255","0.002","25.931","0.005","90","","90","","90","","3235.8","1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6b in manuscript","","","- C36 H36 N2 O5 S2 -","- C36 H36 N2 O5 S2 -","- C144 H144 N8 O20 S8 -","4","1","","Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides","ACS Catalysis","2019","","","11663","","10.1021/acscatal.9b03911","","","0.71073","MoKα","","0.0873","0.0541","","","0.1061","0.1193","","","","","","1.067","","","","has coordinates","231130","2020-10-21","18:00:00",""
"4516241","12.342","0.003","19.352","0.005","13.4","0.003","90","","99.229","0.003","90","","3159.1","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 O2 P -","- C32 H47 O2 P -","- C128 H188 O8 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1287","0.0539","","","0.1321","0.156","","","","","","0.64","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516242","30.671","0.004","10.2786","0.0015","33.812","0.005","90","","90","","90","","10659","3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H45 P -","- C30 H45 P -","- C480 H720 P16 -","16","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1106","0.0539","","","0.1065","0.1337","","","","","","0.956","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516243","19.35","0.003","19.35","0.003","38.469","0.014","90","","90","","120","","12474","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H47 O0.33 P -","- C31 H47 O0.166667 P -","- C558 H846 O3 P18 -","18","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1755","0.0613","","","0.1472","0.2476","","","","","","0.973","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516244","8.6727","0.0018","14.184","0.003","23.006","0.005","90","","92.223","0.003","90","","2827.9","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","L_8","","","- C32 H49 P -","- C32 H49 P -","- C128 H196 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.128","0.0568","","","0.1311","0.168","","","","","","0.889","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516245","9.9251","0.0008","11.2824","0.0009","28.061","0.002","90","","96.421","0.001","90","","3122.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 O4 P -","- C34 H51 O4 P -","- C136 H204 O16 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0639","0.0466","","","0.1056","0.115","","","","","","1.027","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516246","8.568","0.001","9.1013","0.0011","23.827","0.003","80.649","0.001","86.357","0.001","63.923","0.001","1646.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","L_5f","","","- C36 H53 O3 P -","- C36 H53 O3 P -","- C72 H106 O6 P2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0829","0.0495","","","0.1316","0.1574","","","","","","0.878","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516247","28.119","0.007","13.086","0.003","9.328","0.002","90","","90","","90","","3432.4","1.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H57 O3 P -","- C39 H57 O3 P -","- C156 H228 O12 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0317","0.0295","","","0.0771","0.0783","","","","","","1.037","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516248","11.6617","0.0018","12.3698","0.0019","14.951","0.002","100.424","0.002","92.731","0.002","115.736","0.002","1891.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","L_5k","","","- C40.5 H60 Cl O4 P -","- C40.5 H60 Cl O4 P -","- C81 H120 Cl2 O8 P2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.083","0.0495","","","0.1307","0.1561","","","","","","0.9","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516249","18.317","0.003","13.782","0.002","22.811","0.004","90","","90","","90","","5758.5","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tBuBrettPhos","","","- C31 H49 O2 P -","- C31 H49 O2 P -","- C248 H392 O16 P8 -","8","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0408","0.0328","","","0.1142","0.1255","","","","","","0.992","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516250","12.838","0.004","16.357","0.005","19.029","0.005","97.751","0.004","102.559","0.004","102.096","0.004","3744.9","1.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","AdBrettPhos","","","- C43 H61.12 O2.06 P -","- C43 H61 O2.06 P -","- C172 H244 O8.24 P4 -","4","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.159","0.0655","","","0.1506","0.1959","","","","","","0.909","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516251","11.542","0.002","11.548","0.002","17.998","0.003","81.507","0.002","77.635","0.002","72.621","0.002","2227.2","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Ox_5c","","","- C42.5 H58 Br Cl3 N O4 P Pd -","- C42.5 H58 Br Cl3 N O4 P Pd -","- C85 H116 Br2 Cl6 N2 O8 P2 Pd2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0754","0.0475","","","0.1336","0.1497","","","","","","0.99","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516252","17.7459","0.0008","19.0935","0.0008","53.801","0.003","90","","90","","90","","18229.5","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Ox_5f","","","- C53.5 H69 Br N O3 P Pd -","- C43 H57 Br N O3 P Pd -","- C688 H912 Br16 N16 O48 P16 Pd16 -","16","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.1074","0.0777","","","0.1899","0.1979","","","","","","1.058","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516253","27.66","0.013","21.676","0.01","19.545","0.009","90","","123.911","0.005","90","","9725","8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Ox_5j","","","- C49.5 H69 Br Cl2 N O3 P Pd -","- C49.5 H69 Br Cl2 N O3 P Pd -","- C396 H552 Br8 Cl16 N8 O24 P8 Pd8 -","8","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0612","0.0384","","","0.0856","0.095","","","","","","1.006","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516254","13.126","0.009","11.472","0.008","28.93","0.02","90","","91.981","0.01","90","","4354","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ox_5k","","","- C47 H63 Br N O4 P Pd -","- C47 H63 Br N O4 P Pd -","- C188 H252 Br4 N4 O16 P4 Pd4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.113","0.0553","","","0.103","0.1209","","","","","","1.024","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516255","12.4741","0.0004","16.7555","0.0006","14.1454","0.0005","90","","115.68","0.002","90","","2664.51","0.17","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","Cpx_5c","","","- C53 H77 F3 N O7 P Pd S -","- C53 H77 F3 N O7 P Pd S -","- C106 H154 F6 N2 O14 P2 Pd2 S2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.0501","0.0484","","","0.1353","0.1376","","","","","","1.109","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516256","28.3488","0.0004","18.5998","0.0003","19.6316","0.0003","90","","112.701","0.001","90","","9549.5","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Cpx_5f","","","- C48 H71 F3 N O6 P Pd S -","- C48 H71 F3 N O6 P Pd S -","- C384 H568 F24 N8 O48 P8 Pd8 S8 -","8","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.0416","0.0364","","","0.1267","0.1339","","","","","","1.155","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516257","15.0843","0.0004","17.9837","0.0005","19.7605","0.0005","90","","108.121","0.001","90","","5094.6","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Cpx_5j","","","- C51 H75 F3 N O6 P Pd S -","- C51 H75 F3 N O6 P Pd S -","- C204 H300 F12 N4 O24 P4 Pd4 S4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.0733","0.0503","","","0.1275","0.142","","","","","","0.997","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516258","6.1623","0.0007","7.8828","0.0008","20.9413","0.0017","85.746","0.007","88.386","0.008","77.055","0.009","988.59","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O -","- C25 H24 O -","- C50 H48 O2 -","2","1","","Wang, Quannan; Chen, Rongjun; Lou, Jiang; Zhang, Dong H.; Zhou, Yong-Gui; Yu, Zhengkun","Highly Regioselective C‒H Alkylation of Alkenes Through an Aryl to Vinyl 1,4-Palladium Migration/C‒C Cleavage Cascade","ACS Catalysis","2019","","","11669","","10.1021/acscatal.9b04161","","","0.71073","MoKα","","0.0904","0.0499","","","0.1163","0.146","","","","","","1.038","","","","has coordinates","231133","2020-10-21","18:00:00",""
"4516585","24.481","0.002","9.2829","0.0007","32.174","0.003","90","","103.789","0.003","90","","7101","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","19019","","","- C28.5 H39 Br4 Cl N6 Ti2 -","- C28.5 H39 Br4 Cl N6 Ti2 -","- C228 H312 Br32 Cl8 N48 Ti16 -","8","1","","Beaumier, Evan P.; McGreal, Meghan E.; Pancoast, Adam R.; Wilson, R. Hunter; Moore, James T.; Graziano, Brendan J.; Goodpaster, Jason D.; Tonks, Ian A.","Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides","ACS Catalysis","2019","","","11753","","10.1021/acscatal.9b04107","","","0.71073","MoKα","","0.0612","0.0454","","","0.0828","0.0875","","","","","","1.032","","","","has coordinates,has disorder","231657","2020-10-21","18:00:00",""
"4516658","10.073","0.003","10.958","0.003","25.373","0.006","100.784","0.005","100.991","0.005","90.485","0.005","2697.9","1.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O -","- C17 H16 O -","- C136 H128 O8 -","8","4","","Qin, Guiping; Chen, Xiangning; Yang, Lei; Huang, Hanmin","Copper-Catalyzed α-Benzylation of Enones via Radical-Triggered Oxidative Coupling of Two C‒H Bonds","ACS Catalysis","2015","5","5","2882","","10.1021/acscatal.5b00310","","","0.71073","MoKα","","0.1306","0.0517","","","0.1051","0.1397","","","","","","0.998","","","","has coordinates","239435","2020-10-21","18:00:00",""
"4516659","10.6111","0.0008","9.3941","0.0007","19.1315","0.0015","90","","91.384","0.001","90","","1906.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 F3 N4 O7 -","- C15 H19 F3 N4 O7 -","- C60 H76 F12 N16 O28 -","4","1","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0532","0.0424","","","0.1089","0.1169","","","","","","1.003","","","","has coordinates","239436","2020-10-21","18:00:00",""
"4516660","15.896","0.003","8.7193","0.0014","25.283","0.004","90","","90","","90","","3504.3","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H15 Cl F3 N O5 -","- C17 H15 Cl F3 N O5 -","- C136 H120 Cl8 F24 N8 O40 -","8","2","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0499","0.0418","","","0.1156","0.1221","","","","","","1.04","","","","has coordinates","239437","2020-10-21","18:00:00",""
"4516661","15.5297","0.0005","15.5297","0.0005","24.1564","0.0011","90","","90","","120","","5045.3","0.3","150","","150","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C55 H40 Cl3 O3 P3 Si3 -","- C55 H40 Cl3 O3 P3 Si3 -","- C220 H160 Cl12 O12 P12 Si12 -","4","0.333333","","Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya","Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes","ACS Catalysis","2015","5","12","7254","","10.1021/acscatal.5b00904","","","0.71075","MoKα","","","0.0461","","","","0.1077","","","","","","1.139","","","","has coordinates","239438","2020-10-21","18:00:00",""
"4516662","33.581","0.002","10.1257","0.0002","19.1334","0.0004","90","","101.527","0.007","90","","6374.7","0.5","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl N5 P Ru -","- C38 H31 Cl N5 P Ru -","- C304 H248 Cl8 N40 P8 Ru8 -","8","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0283","0.028","","","0.0728","0.0731","","","","","","1.04","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516663","31.847","0.002","12.7757","0.0002","25.6211","0.0005","90","","117.055","0.008","90","","9283.7","0.9","85","2","85","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C356 H304 Cl8 F48 N40 O48 P8 Ru8 S16 -","8","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0518","0.0487","","","0.1415","0.1436","","","","","","1.101","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516664","9.4999","0.0002","10.3978","0.0002","18.4333","0.0013","79.884","0.006","84.512","0.006","68.604","0.005","1667.97","0.14","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H33 F3 N5 O P Ru -","- C40 H33 F3 N5 O P Ru -","- C80 H66 F6 N10 O2 P2 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0248","0.0242","","","0.0642","0.0647","","","","","","1.066","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516665","11.5459","0.0002","20.4778","0.0004","18.8418","0.0013","90","","104.485","0.007","90","","4313.2","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Cl N5 P2 Ru -","- C54 H42 Cl N5 P2 Ru -","- C216 H168 Cl4 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0225","0.0223","","","0.0551","0.0552","","","","","","1.039","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516666","11.8598","0.0002","13.6537","0.0003","16.6403","0.0012","89.614","0.006","87.952","0.006","69.915","0.005","2529","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl N5 P2 Ru -","- C56 H46 Cl N5 P2 Ru -","- C112 H92 Cl2 N10 P4 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0295","0.0289","","","0.0696","0.07","","","","","","1.027","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516667","23.8181","0.0017","11.25","0.0002","20.994","0.002","90","","115.986","0.009","90","","5056.7","0.7","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl N5 O3.5 P2 Ru -","- C60 H54 Cl N5 O3.5 P2 Ru -","- C240 H216 Cl4 N20 O14 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0763","0.0706","","","0.1914","0.1993","","","","","","1.11","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516668","21.7779","0.0004","23.4319","0.0016","9.6235","0.0002","90","","90","","90","","4910.8","0.4","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H49 Cl4 N5 P2 Ru -","- C57 H49 Cl4 N5 P2 Ru -","- C228 H196 Cl16 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0855","0.0793","","","0.2204","0.2324","","","","","","1.129","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516669","13.7897","0.0003","15.8415","0.0003","19.6154","0.0014","71.991","0.005","73.73","0.005","81.086","0.006","3900.9","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H81 N10 P2 Ru2 -","- C97 H81 N10 P2 Ru2 -","- C194 H162 N20 P4 Ru4 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.1001","0.0869","","","0.2298","0.2419","","","","","","1.103","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516670","9.0716","0.0009","12.721","0.0007","15.6504","0.0017","93.195","0.006","103.235","0.009","93.102","0.002","1751.2","0.3","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl F6 N5 P2 Ru -","- C38 H32 Cl F6 N5 P2 Ru -","- C76 H64 Cl2 F12 N10 P4 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0231","0.023","","","0.0592","0.0593","","","","","","1.056","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516671","12.5021","0.0003","13.6073","0.0003","19.1227","0.0004","90","","108.373","0.002","90","","3087.32","0.12","123","1","123","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 B Cu F4 N4 O3 P -","- C34 H25 B Cu F4 N4 O3 P -","- C136 H100 B4 Cu4 F16 N16 O12 P4 -","4","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","0.71073","MoKα","","0.0437","0.036","","","0.0852","0.0894","","","","","","1.06","","","","has coordinates,has disorder","239440","2020-10-21","18:00:00",""
"4516672","10.5194","0.0005","11.305","0.0006","12.8486","0.0006","64.026","0.005","86.154","0.004","63.035","0.005","1207.7","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","1","0.5","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54184","CuKα","","0.0293","0.0258","","","0.0644","0.066","","","","","","1.056","","","","has coordinates","239441","2020-10-21","18:00:00",""
"4516673","30.0446","0.0006","11.56203","0.00018","24.6258","0.0004","90","","90","","90","","8554.4","0.3","122.99","0.16","122.99","0.16","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C376 H280 B8 Cl16 Cu8 F32 N32 O24 P8 -","8","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54178","CuKα","","0.0597","0.0461","","","0.1099","0.118","","","","","","1.034","","","","has coordinates,has disorder","239442","2020-10-21","18:00:00",""
"4516674","11.3913","0.0005","26.6073","0.0012","13.8664","0.0007","90","","103.752","0.005","90","","4082.3","0.3","102","1","102","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Fe Li N2 O Si2 -","- C44 H56 Fe Li N2 O Si2 -","- C176 H224 Fe4 Li4 N8 O4 Si8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0976","0.0703","","","0.1221","0.1311","","","","","","1.144","","","","has coordinates,has disorder","239443","2020-10-21","18:00:00",""
"4516675","14.14","0.0009","13.3999","0.0009","16.5218","0.001","90","","112.094","0.002","90","","2900.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Fe N2 O3 P -","- C35 H33 Fe N2 O3 P -","- C140 H132 Fe4 N8 O12 P4 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0564","0.0387","","","0.122","0.1352","","","","","","1.026","","","","has coordinates","239444","2020-10-21","18:00:00",""
"4516676","16.7305","0.0015","14.4122","0.0007","17.4229","0.0008","90","","93.471","0.006","90","","4193.4","0.5","106.2","0.2","106.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 Fe N2 P -","- C56 H53 Fe N2 P -","- C224 H212 Fe4 N8 P4 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.1173","0.0785","","","0.1558","0.1723","","","","","","1.102","","","","has coordinates","239445","2020-10-21","18:00:00",""
"4516677","16.9958","0.0007","10.2025","0.0005","17.6294","0.0007","90","","90","","90","","3056.9","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H33 Fe N5 -","- C38 H33 Fe N5 -","- C152 H132 Fe4 N20 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0442","0.0348","","","0.0782","0.0818","","","","","","1.021","","","","has coordinates","239446","2020-10-21","18:00:00",""
"4516678","17.2377","0.0005","17.2377","0.0005","27.3182","0.0008","90","","90","","90","","8117.3","0.4","100","","100","","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C368 H416 F24 Fe8 N16 Na4 O28.7 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","1","0.0625","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0687","0.0464","","","0.1234","0.1429","","","","","","1.09","","","","has coordinates,has disorder","239447","2020-10-21","18:00:00",""
"4516679","19.5314","0.0005","9.7274","0.0002","13.93","0.0004","90","","99.058","0.002","90","","2613.55","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 Fe N2 -","- C32 H24 Cl2 Fe N2 -","- C128 H96 Cl8 Fe4 N8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.067","0.0367","","","0.0868","0.0982","","","","","","1.057","","","","has coordinates","239448","2020-10-21","18:00:00",""
"4516680","10.8375","0.0013","14.8073","0.0018","27.377","0.003","90","","90","","90","","4393.3","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Fe N2 O4 Ti -","- C46 H64 Fe N2 O4 Ti -","- C184 H256 Fe4 N8 O16 Ti4 -","4","1","","Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K.","Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide","ACS Catalysis","2015","5","10","6057","","10.1021/acscatal.5b01434","","","0.71073","MoKα","","0.0524","0.045","","","0.1217","0.1311","","","","","","0.941","","","","has coordinates","239449","2020-10-21","18:00:00",""
"4516681","6.1162","0.0019","15.02","0.005","17.666","0.006","90","","96.537","0.005","90","","1612.3","0.9","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1,1,2-tetrafluorohepta-2,5-diene","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji","Nickel-Catalyzed Allylic C(sp3)‒F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes","ACS Catalysis","2015","5","10","5947","","10.1021/acscatal.5b01463","","","0.71073","MoKα","","0.1027","0.0537","","","0.1001","0.1179","","","","","","1.01","","","","has coordinates","239450","2020-10-21","18:00:00",""
"4516682","10.9711","0.0009","7.3155","0.0006","19.9974","0.0017","90","","93.418","0.002","90","","1602.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H30 Cl2 N2 O4 S -","- C35 H30 Cl2 N2 O4 S -","- C70 H60 Cl4 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0424","0.0396","","","0.1058","0.1085","","","","","","1.033","","","","has coordinates","239451","2020-10-21","18:00:00",""
"4516683","7.7705","0.001","22.437","0.003","11.0377","0.0015","90","","105.525","0.002","90","","1854.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.066","0.0605","","","0.1514","0.1578","","","","","","1.046","","","","has coordinates","239452","2020-10-21","18:00:00",""
"4516684","11.9029","0.001","15.3015","0.0013","19.0001","0.0016","85.692","0.002","79.538","0.002","67.684","0.002","3148.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl2 N2 O4 S -","- C35 H28 Cl2 N2 O4 S -","- C140 H112 Cl8 N8 O16 S4 -","4","2","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.1284","0.0589","","","0.1317","0.1645","","","","","","0.987","","","","has coordinates,has disorder","239453","2020-10-21","18:00:00",""
"4516685","9.3454","0.001","9.7516","0.001","14.35","0.0015","92.675","0.002","101.306","0.002","115.481","0.002","1144.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C48 H52 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0749","0.0546","","","0.1424","0.1563","","","","","","1.009","","","","has coordinates","239454","2020-10-21","18:00:00",""
"4516686","10.3652","0.0008","10.371","0.0008","28.86","0.002","90","","90","","90","","3102.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl2 N2 O4 S -","- C34 H28 Cl2 N2 O4 S -","- C136 H112 Cl8 N8 O16 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.079","0.0539","","","0.1246","0.1391","","","","","","1.015","","","","has coordinates","239455","2020-10-21","18:00:00",""
"4516687","8.8035","0.0002","14.912","0.0003","17.9438","0.0005","90","","90","","90","","2355.62","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","","Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia","Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters","ACS Catalysis","2015","5","11","6524","","10.1021/acscatal.5b01793","","","1.54178","CuKα","","0.0372","0.0326","","","0.0799","0.087","","","","","","1.071","","","","has coordinates","239456","2020-10-21","18:00:00",""
"4516688","15.6832","0.0007","11.3541","0.0005","16.787","0.0007","90","","92.189","0.001","90","","2987.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 N4 Pd2 S4 -","- C66 H68 N4 Pd2 S4 -","- C132 H136 N8 Pd4 S8 -","2","0.5","","Degtyareva, Evgeniya S.; Burykina, Julia V.; Fakhrutdinov, Artem N.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd-NHC Catalytic System for the Efficient Atom-Economic Synthesis of Vinyl Sulfides from Tertiary, Secondary, or Primary Thiols","ACS Catalysis","2015","5","12","7208","","10.1021/acscatal.5b01815","","","0.71073","MoKα","","0.0479","0.0349","","","0.0759","0.0818","","","","","","1.021","","","","has coordinates","239457","2020-10-21","18:00:00",""
"4516689","8.233","0.004","13.912","0.006","15.188","0.007","90","","90","","90","","1739.6","1.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H15 P S -","- C22 H15 P S -","- C88 H60 P4 S4 -","4","1","","Unoh, Yuto; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Rhodium(III)-Catalyzed Direct Coupling of Arylphosphine Derivatives with Heterobicyclic Alkenes: A Concise Route to Biarylphosphines and Dibenzophosphole Derivatives","ACS Catalysis","2015","5","11","6634","","10.1021/acscatal.5b01896","","","0.71075","MoKα","","","0.0372","","","","0.0953","","","","","","1.098","","","","has coordinates","239458","2020-10-21","18:00:00",""
"4516690","9.6451","0.0002","25.6279","0.0005","10.7472","0.0002","90","","102.565","0.001","90","","2592.91","0.09","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 F3 I O3 S -","- C24 H32 F3 I O3 S -","- C96 H128 F12 I4 O12 S4 -","4","1","","Berzina, Beatrise; Sokolovs, Igors; Suna, Edgars","Copper-Catalyzed para-Selective C‒H Amination of Electron-Rich Arenes","ACS Catalysis","2015","5","11","7008","","10.1021/acscatal.5b01992","","","0.71073","MoKα","","0.0798","0.0594","","","0.1303","0.1377","","","","","","1.126","","","","has coordinates","239459","2020-10-21","18:00:00",""
"4516691","11.4773","0.0005","13.0681","0.0005","18.2775","0.0008","70.951","0.001","80.767","0.001","78.887","0.001","2528.57","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H32 B F24 N3 Ni O2 -","- C50 H32 B F24 N3 Ni O2 -","- C100 H64 B2 F48 N6 Ni2 O4 -","2","1","","Escobar, Manuel A.; Trofymchuk, Oleksandra S.; Rodriguez, Barbara E.; Lopez-Lira, Claudia; Tapia, Ricardo; Daniliuc, Constantin; Berke, Heinz; Nachtigall, Fabiane M.; Santos, Leonardo S.; Rojas, Rene S.","Lewis Acid Enhanced Ethene Dimerization and Alkene Isomerization—ESI-MS Identification of the Catalytically Active Pyridyldimethoxybenzimidazole Nickel(II) Hydride Species","ACS Catalysis","2015","5","12","7338","","10.1021/acscatal.5b02003","","","0.71073","MoKα","","0.0561","0.0412","","","0.0933","0.101","","","","","","1.029","","","","has coordinates,has disorder","239460","2020-10-21","18:00:00",""
"4516692","11.1326","0.0005","28.0168","0.0014","13.6059","0.0006","90","","96.8149","0.0016","90","","4213.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","1","0.25","","Kim, Hyunwoo; Chang, Sukbok","Iridium-Catalyzed Direct C‒H Amination with Alkylamines: Facile Oxidative Insertion of Amino Group into Iridacycle","ACS Catalysis","2015","5","11","6665","","10.1021/acscatal.5b02165","","","0.71073","MoKα","","0.0728","0.0413","","","0.0939","0.1036","","","","","","1.022","","","","has coordinates,has disorder","239461","2020-10-21","18:00:00",""
"4516693","9.4911","0.0004","9.8015","0.0003","12.0673","0.0005","90","","103.604","0.004","90","","1091.09","0.07","300.79","0.1","300.79","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui","Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst","ACS Catalysis","2015","5","12","7432","","10.1021/acscatal.5b02177","","x-ray","1.54184","CuKα","","0.054","0.0481","","","0.1351","0.1407","","","","","","1.12","","","","has coordinates","239462","2020-10-21","18:00:00",""
"4516694","5.1839","0.0002","17.316","0.0005","23.0197","0.0007","90","","90","","90","","2066.35","0.12","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark","Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R)","ACS Catalysis","2016","6","8","4946","","10.1021/acscatal.6b00858","","","1.54178","CuKα","","0.0311","0.0296","","","0.0752","0.0762","","","","","","1.056","","","","has coordinates,has disorder","239463","2020-10-21","18:00:00",""
"4516695","12.0346","0.0004","14.3451","0.0005","16.9307","0.0005","101.182","0.002","90.368","0.002","96","0.002","2850.61","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H81 O5 Si Y -","- C62 H81 O5 Si Y -","- C124 H162 O10 Si2 Y2 -","2","1","","Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing","Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts","ACS Catalysis","2016","6","8","4907","","10.1021/acscatal.6b00881","","","0.71073","MoKα","","0.101","0.0668","","","0.1697","0.1914","","","","","","1.02","","","","has coordinates","239464","2020-10-21","18:00:00",""
"4516696","12.1686","0.0004","15.7163","0.0005","17.6104","0.0006","90","","100.762","0.0011","90","","3308.67","0.19","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H87 Co N6 O2 Si2 -","- C76 H87 Co N6 O2 Si2 -","- C152 H174 Co2 N12 O4 Si4 -","2","1","","Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R.","A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes","ACS Catalysis","2016","6","6","3589","","10.1021/acscatal.6b01091","","x-ray","0.71073","MoKα","","0.0295","0.0276","","","0.0708","0.0737","","","","","","1.041","","","","has coordinates,has disorder","239465","2020-10-21","18:00:00",""
"4516697","19.0698","0.0004","19.0698","0.0004","9.8294","0.0007","90","","90","","90","","3574.5","0.3","85","","85","","","","","","","","","6","P -4","P -4","81","","","","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0381","0.0374","","","0.0931","0.0936","","","","","","1.139","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516698","12.9692","0.0002","16.8857","0.0003","17.268","0.0012","90","","90.769","0.006","90","","3781.2","0.3","85","","85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0832","0.0788","","","0.215","0.2205","","","","","","1.097","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516699","9.5413","0.0005","12.5331","0.0012","16.6646","0.0014","90","","90","","90","","1992.8","0.3","295.14","0.1","295.14","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N O2 -","- C22 H21 Cl N2 O2 -","- C88 H84 Cl4 N8 O8 -","4","1","","Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui","Enantioselective Dearomative Arylation of Isoquinolines","ACS Catalysis","2016","6","8","5290","","10.1021/acscatal.6b01693","","x-ray","0.71073","MoKα","","0.1522","0.0734","","","0.1357","0.1892","","","","","","1.035","","","","has coordinates","239467","2020-10-21","18:00:00",""
"4516700","11.23","0.003","12.753","0.003","20.255","0.004","85.686","0.005","80.147","0.006","74.114","0.006","2747.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N O -","- C38 H27 N O -","- C152 H108 N4 O4 -","4","2","","Li, Xingwei; Yang, Xifa; Qi, Zisong","Synthesis of Cyclopentadienols by Rhodium-Catalyzed C‒H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes","ACS Catalysis","2016","6","10","6372","","10.1021/acscatal.6b01936","","","0.71073","MoKα","","0.1525","0.0746","","","0.1715","0.2169","","","","","","0.966","","","","has coordinates","239469","2020-10-21","18:00:00",""
"4516701","9.4338","0.0003","11.4458","0.0003","23.1231","0.0007","90","","97.4269","0.0008","90","","2475.83","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 O5 P -","- C26 H35 O5 P -","- C104 H140 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.038","0.034","","","0.092","0.0959","","","","","","1.035","","","","has coordinates","239470","2020-10-21","18:00:00",""
"4516702","4.5729","0.0002","14.1363","0.0005","11.7191","0.0004","90","","100.631","0.0008","90","","744.57","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 O4 P -","- C7 H5 O4 P -","- C28 H20 O16 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0491","0.0474","","","0.1305","0.1317","","","","","","1.12","","","","has coordinates","239471","2020-10-21","18:00:00",""
"4516703","10.8599","0.0003","15.1287","0.0004","15.5406","0.0004","102.742","0.0006","101.78","0.0007","100.56","0.0006","2367.22","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 O12 P2 Rh -","- C48 H53 O12 P2 Rh -","- C96 H106 O24 P4 Rh2 -","2","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0318","0.0279","","","0.0687","0.0718","","","","","","1.035","","","","has coordinates","239472","2020-10-21","18:00:00",""
"4516704","7.9973","0.0003","11.7658","0.0005","18.4161","0.0007","90","","93.7246","0.0008","90","","1729.2","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.046","0.0349","","","0.0845","0.0915","","","","","","1.038","","","","has coordinates","239473","2020-10-21","18:00:00",""
"4516705","8.6854","0.0006","11.1584","0.0006","12.3533","0.0007","110.734","0.003","96.486","0.004","95.657","0.004","1100.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0605","0.0399","","","0.0997","0.1075","","","","","","1.04","","","","has coordinates","239474","2020-10-21","18:00:00",""
"4516706","16.7984","0.0008","13.6152","0.0007","16.9579","0.0009","90","","103.928","0.003","90","","3764.5","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C156 H128 B4 Cl8 F16 Fe4 N4 O12 P8 -","4","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0713","0.0427","","","0.0912","0.0988","","","","","","1.046","","","","has coordinates,has disorder","239475","2020-10-21","18:00:00",""
"4516707","12.2695","0.0007","12.9467","0.0007","14.1404","0.0008","78.636","0.003","69.027","0.003","83.561","0.003","2054.1","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C80 H68 B2 Cl6 F8 Fe2 N4 O4 P4 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0846","0.0456","","","0.0947","0.1038","","","","","","1.048","","","","has coordinates,has disorder","239476","2020-10-21","18:00:00",""
"4516708","6.9941","0.00007","17.4234","0.0002","17.1188","0.0002","90","","98.8919","0.0009","90","","2061.04","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C72 H84 F12 N16 Ni4 O12 S4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0323","0.0268","","","0.0655","0.0686","","","","","","1.066","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516709","13.4405","0.0003","10.5724","0.0003","11.268","0.0003","90","","93.709","0.002","90","","1597.81","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N3 Ni O -","- C15 H16 I N3 Ni O -","- C60 H64 I4 N12 Ni4 O4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0279","0.0224","","","0.047","0.0499","","","","","","1.031","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516710","14.416","0.0002","11.0236","0.0002","25.901","0.0004","90","","98.801","0.002","90","","4067.62","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C144 H168 F24 N32 Ni8 O24 S8 -","8","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0368","0.0299","","","0.0707","0.0755","","","","","","1.035","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516711","24.0256","0.0005","13.1262","0.0003","22.3213","0.0006","90","","90","","90","","7039.4","0.3","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Fe N4 O3 -","- C40 H46 Fe N4 O3 -","- C320 H368 Fe8 N32 O24 -","8","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","0.71073","MoKα","","0.0631","0.046","","","0.103","0.1099","","","","","","1.08","","","","has coordinates","239478","2020-10-21","18:00:00",""
"4516712","22.7811","0.0006","22.9453","0.0006","13.3383","0.0003","90","","90","","90","","6972.2","0.3","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C150 H162 F12 Fe4 N12 O6 P2 -","- C150 H162 F12 Fe4 N12 O6 P2 -","- C300 H324 F24 Fe8 N24 O12 P4 -","2","0.5","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","","0.71073","MoKα","","0.0323","0.0282","","","0.0739","0.077","","","","","","1.083","","","","has coordinates","239479","2020-10-21","18:00:00",""
"4516713","8.0949","0.0002","23.7481","0.0005","17.1961","0.0005","90","","97.427","0.003","90","","3278.02","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Fe N6 O6 -","- C36 H36 Fe N6 O6 -","- C144 H144 Fe4 N24 O24 -","4","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0635","0.0462","","","0.0933","0.1","","","","","","1.034","","","","has coordinates","239480","2020-10-21","18:00:00",""
"4516714","15.49431","0.00014","16.23501","0.00013","15.84297","0.00016","90","","107.287","0.001","90","","3805.28","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Fe N4 O5 -","- C42 H50 Fe N4 O5 -","- C168 H200 Fe4 N16 O20 -","4","2","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0367","0.0323","","","0.0783","0.0803","","","","","","1.026","","","","has coordinates","239481","2020-10-21","18:00:00",""
"4516715","10.2029","0.001","19.4064","0.0018","7.7687","0.0007","90","","91.548","0.008","90","","1537.7","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno","Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles","ACS Catalysis","2016","6","10","7197","","10.1021/acscatal.6b02439","","","0.71069","MoKα","","0.0975","0.065","","0.103","0.0779","0.0724","","","","","","1.044","","","","has coordinates","239482","2020-10-21","18:00:00",""
"4516716","9.0058","0.0001","9.3091","0.0001","17.9195","0.0012","79.797","0.007","80.388","0.007","89.868","0.006","1457.21","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl3 N4 Ni O2 -","- C33 H22 Cl3 N4 Ni O2 -","- C66 H44 Cl6 N8 Ni2 O4 -","2","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54187","CuKα","","0.0916","0.0676","","","0.1791","0.2033","","","","","","1.096","","","","has coordinates","239483","2020-10-21","18:00:00",""
"4516717","29.3161","0.0007","8.847","0.0003","16.2475","0.0011","90","","122.222","0.009","90","","3564.9","0.5","566","2","566.3","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H29 F4 N2 O2 -","- C45 H29 F4 N2 O2 -","- C180 H116 F16 N8 O8 -","4","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54178","CuKα","","0.0537","0.0472","","","0.1342","0.1435","","","","","","1.08","","","","has coordinates,has disorder","239484","2020-10-21","18:00:00",""
"4516718","5.6343","0.0001","17.0439","0.0004","18.3976","0.0004","90","","90","","90","","1766.73","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C76 H88 O20 S4 -","4","1","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0244","0.0236","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4516719","13.0843","0.0009","30.4","0.002","6.6223","0.0005","90","","92.47","0.002","90","","2631.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Cl2 N2 Ni O5 -","- C22 H40 Cl2 N2 Ni O5 -","- C88 H160 Cl8 N8 Ni4 O20 -","4","0.5","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0617","0.0571","","","0.1568","0.1639","","","","","","1.083","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4516720","13.278","0.002","17.113","0.003","20.133","0.003","90","","90","","90","","4574.7","1.3","168","2","168","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H23 Cl Cu N2 O3 -","- C26 H23 Cl Cu N2 O3 -","- C208 H184 Cl8 Cu8 N16 O24 -","8","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0307","0.0271","","","0.0749","0.0767","","","","","","1.029","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516721","12.615","0.003","13.308","0.003","13.396","0.003","90","","116.537","0.003","90","","2012","0.8","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cu F3 N2 O2 -","- C22 H14 Br Cu F3 N2 O2 -","- C88 H56 Br4 Cu4 F12 N8 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0297","0.0244","","","0.0625","0.065","","","","","","1.038","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516722","15.5811","0.0004","8.8795","0.0003","17.1799","0.0005","90","","96.394","0.001","90","","2362.09","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl Cu N3 O2 -","- C29 H22 Cl Cu N3 O2 -","- C116 H88 Cl4 Cu4 N12 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0398","0.0306","","","0.0733","0.0778","","","","","","1.03","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516723","7.3869","0.001","17.69","0.003","14.677","0.002","90","","90.094","0.002","90","","1917.9","0.5","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.03","0.0285","","","0.0723","0.0738","","","","","","1.044","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516724","9.019","0.005","14.953","0.009","20.897","0.013","86.86","0.03","85.15","0.02","89.96","0.04","2804","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cu N2 O4 -","- C31 H38 Cu N2 O4 -","- C124 H152 Cu4 N8 O16 -","4","2","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0763","0.0481","","","0.1029","0.1156","","","","","","1.042","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516725","9.5117","0.0004","16.2069","0.0007","19.2829","0.0008","95.824","0.001","98.182","0.001","102.531","0.001","2845.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","1","0.5","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0628","0.0426","","","0.1085","0.1204","","","","","","1.022","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516726","8.4814","0.0004","13.8492","0.0007","19.5575","0.001","86.4189","0.0015","81.6947","0.0013","73.8739","0.0014","2183.1","0.19","93","0.2","93","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C112 H84 N12 O12 -","4","2","","Yamamoto, Yoshihiko; Nishimura, Kei-ichiro; Shibuya, Masatoshi","Ruthenium-Catalyzed Cycloisomerization of 1,6-Diynes with Styryl Terminals Leading to Indenylidene Cycloalkanes","ACS Catalysis","2017","7","2","1101","","10.1021/acscatal.6b03322","","","0.71073","MoKα","","0.0582","0.0519","","","0.1334","0.1381","","","","","","1.03","","","","has coordinates","239488","2020-10-21","18:00:00",""
"4516727","6.1366","0.0002","11.2261","0.0004","11.6894","0.0004","67.3845","0.001","81.2585","0.001","88.6059","0.0011","734.21","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H40 O7 -","- C33 H40 O7 -","- C33 H40 O7 -","1","1","","Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Carbohydrate Oxidations: A Nuclear Magnetic Resonance (NMR) Study on Selectivity, Rate, and Side-Product Formation.","ACS catalysis","2017","7","2","1438","1445","10.1021/acscatal.6b03459","","","0.71073","MoKα","","0.0346","0.0331","","","0.082","0.0831","","","","","","1.068","","","","has coordinates","239489","2020-10-21","18:00:00",""
"4516728","6.915","0.0008","12.31","0.0007","14.954","0.002","82.822","0.008","83.631","0.01","85.687","0.007","1252.7","0.2","198","","198","","","","","","","","see text","7","P -1","-P 1","2","","","","- C17 H18 Cl3 F6 N8 P Pd -","- C17 H18 Cl3 F6 N8 P Pd -","- C34 H36 Cl6 F12 N16 P2 Pd2 -","2","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0517","0.0339","","","0.0534","0.0566","","","","","","1.138","","","","has coordinates,has disorder","239490","2020-10-21","18:00:00",""
"4516729","9.133","0.004","21.693","0.002","12.682","0.005","90","","90","","90","","2512.6","1.5","198","","198","","","","","","","","see text","7","P n a 21","P 2c -2n","33","","","","- C18 H42 Cl3 N O Pd S -","- C18 H42 Cl3 N O Pd S -","- C72 H168 Cl12 N4 O4 Pd4 S4 -","4","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0583","0.0366","","","0.0501","0.0535","","","","","","1.121","","","","has coordinates","239491","2020-10-21","18:00:00",""
"4516730","13.08003","0.00013","23.3536","0.0003","26.5956","0.0003","90","","90","","90","","8124.05","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38.5 H40 F9 N6.5 O2.5 S -","- C38.5 H40 F9 N6.5 O2.5 S -","- C308 H320 F72 N52 O20 S8 -","8","1","","Neuvonen, Antti J.; Földes, Tamás; Madarász, Ádám; Pápai, Imre; Pihko, Petri M.","Organocatalysts Fold To Generate an Active Site Pocket for the Mannich Reaction","ACS Catalysis","2017","7","5","3284","","10.1021/acscatal.7b00336","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.106","0.1074","","","","","","1.058","","","","has coordinates,has disorder","239492","2020-10-21","18:00:00",""
"4516731","12.6954","0.0014","5.5859","0.0006","22.534","0.002","90","","102.103","0.003","90","","1562.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Cao, Tao; Yang, Zheng; Ma, Shengming","Selectivities in Nickel-Catalyzed Hydrocarboxylation of Enynes with Carbon Dioxide","ACS Catalysis","2017","7","7","4504","","10.1021/acscatal.7b00556","","","0.71073","MoKα","","0.0839","0.0647","","","0.1737","0.1887","","","","","","1.046","","","","has coordinates","239493","2020-10-21","18:00:00",""
"4516732","9.0731","0.0006","10.4974","0.0008","12.7753","0.001","98.387","0.003","102.017","0.003","101.29","0.003","1144.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H20 Cl2 N5 O2 Ru -","- C23.5 H20 Cl2 N5 O2 Ru -","- C47 H40 Cl4 N10 O4 Ru2 -","2","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0608","0.0576","","","0.1541","0.1589","","","","","","1.03","","","","has coordinates,has disorder","239494","2020-10-21","18:00:00",""
"4516733","10.3114","0.0015","14.828","0.002","18.855","0.003","90","","92.38","0.005","90","","2880.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl3 N7 Ru -","- C31 H26 Cl3 N7 Ru -","- C124 H104 Cl12 N28 Ru4 -","4","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0315","0.0272","","","0.0636","0.0661","","","","","","1.037","","","","has coordinates","239494","2020-10-21","18:00:00",""
"4516734","5.3524","0.0011","9.849","0.002","16.789","0.003","91.22","0.03","96.68","0.03","91.44","0.03","878.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C40 H40 N4 O4 S2 -","2","1","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71073","MoKα","","0.118","0.0844","","","0.2318","0.3499","","","","","","1.453","","","","has coordinates","239495","2020-10-21","18:00:00",""
"4516735","9.6188","0.0003","16.8151","0.0005","11.4121","0.0003","90","","92.913","0.003","90","","1843.42","0.09","173.01","0.1","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","2","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71","MoKα","","0.081","0.0778","","","0.211","0.2152","","","","","","1.116","","","","has coordinates","239496","2020-10-21","18:00:00",""
"4516736","10.8798","0.0005","11.5927","0.0005","14.6647","0.0006","84.709","0.002","78.676","0.002","86.719","0.002","1804.42","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H62 B Co N O2 P3 -","- C31 H62 B Co N O2 P3 -","- C62 H124 B2 Co2 N2 O4 P6 -","2","1","","Obligacion, Jennifer V.; Chirik, Paul J.","Mechanistic Studies of Cobalt-Catalyzed C(sp<sup>2</sup>)-H Borylation of Five-Membered Heteroarenes with Pinacolborane.","ACS catalysis","2017","7","7","4366","4371","10.1021/acscatal.7b01151","","","1.54178","CuKα","","0.0352","0.0316","","","0.0826","0.0914","","","","","","1.121","","","","has coordinates,has disorder","239497","2020-10-21","18:00:00",""
"4516737","13.029","0.005","31.24","0.011","9.883","0.002","90","","90","","90","","4023","2","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H53 B2 N O8 -","- C42 H53 B2 N O8 -","- C168 H212 B8 N4 O32 -","4","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0987","0.0623","","","0.1267","0.1443","","","","","","1.022","","","","has coordinates","239498","2020-10-21","18:00:00",""
"4516738","5.9683","0.0001","11.8288","0.0003","12.2029","0.0003","94.8482","0.0009","101.631","0.0009","100.091","0.0009","824.32","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0734","0.048","","","0.0999","0.1137","","","","","","1.058","","","","has coordinates","239499","2020-10-21","18:00:00",""
"4516739","10.0889","0.0005","10.4012","0.0005","10.9505","0.0006","114.987","0.003","111.721","0.002","93.719","0.003","933.62","0.09","140","","140","","","","","","","","","7","P -1","-P 1","2","","[(dmpbz)2Co(CH3CN)2][BF4]2,(CH3CN)2","","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","1","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0458","0.0333","","","0.08","0.086","","","","","","1.05","","","","has coordinates","239500","2020-10-21","18:00:00",""
"4516740","15.0848","0.0006","20.0234","0.0007","32.3058","0.0014","90","","91.503","0.002","90","","9754.6","0.7","164","","164","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 B2 Co F8 N P4 -","- C22 H51 B2 Co F8 N P4 -","- C264 H612 B24 Co12 F96 N12 P48 -","12","3","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0893","0.0603","","","0.1555","0.1747","","","","","","1.04","","","","has coordinates","239500","2020-10-21","18:00:00",""
"4516741","15.7643","0.0005","16.3813","0.0005","8.9459","0.0002","90","","90","","90","","2310.19","0.11","140","","140","","","","","","","","","4","A e a 2","A 2 -2ab","41","","CoH(dmpbz)","","- C20 H32 Co P4 -","- C20 H32 Co P4 -","- C80 H128 Co4 P16 -","4","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0451","0.0321","","","0.0655","0.07","","","","","","1.023","","","","has coordinates,has disorder","239500","2020-10-21","18:00:00",""
"4516742","15.598","0.007","15.598","0.007","59.01","0.02","90","","90","","120","","12434","9","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H60 Cu3 N8 O15 -","- C78 H60 Cu3 N8 O15 -","- C468 H360 Cu18 N48 O90 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0589","0.0498","","","0.1354","0.1413","","","","","","1.051","","","","has coordinates","239501","2020-10-21","18:00:00",""
"4516743","15.7439","0.001","15.7439","0.001","61.146","0.004","90","","90","","120","","13125.7","1.5","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H66 Co3 N8 O18 -","- C78 H66 Co3 N8 O18 -","- C468 H396 Co18 N48 O108 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0478","0.0407","","","0.1224","0.1299","","","","","","1.059","","","","has coordinates","239502","2020-10-21","18:00:00",""
"4516744","15.7128","0.001","15.7128","0.001","60.539","0.004","90","","90","","120","","12944.1","1.4","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","1","0.0555556","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.06","0.0476","","","0.1422","0.1511","","","","","","1.06","","","","has coordinates","239503","2020-10-21","18:00:00",""
"4517129","11.0739","0.0004","11.3132","0.0004","10.2916","0.0003","90","","93.622","0.003","90","","1286.77","0.08","296","0.5","296","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong","F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides","ACS Catalysis","2019","","","11802","","10.1021/acscatal.9b04352","","x-ray","1.54184","CuKα","","0.0707","0.0643","","","0.169","0.1817","","","","","","1.039","","","","has coordinates","242166","2020-10-21","18:00:00",""
"4517130","7.4537","0.0003","10.8662","0.0005","12.8697","0.0007","105.015","0.005","99.127","0.004","100.612","0.004","965.9","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O -","- C23 H25 N O -","- C46 H50 N2 O2 -","2","1","","Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong","F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides","ACS Catalysis","2019","","","11802","","10.1021/acscatal.9b04352","","x-ray","1.54184","CuKα","","0.0646","0.056","","","0.1606","0.1747","","","","","","1.021","","","","has coordinates","242167","2020-10-21","18:00:00",""
"4517131","5.8229","0.0005","19.461","0.002","15.4449","0.0018","90","","91.423","0.008","90","","1749.7","0.3","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Chen, Bin; Zhang, Yunxing; Wu, Rui; Fang, Dongmei; Chen, Xiaozhen; Wang, Simin; Zhao, Yuqiong; Hu, Ping; Zhao, Ke-Qing; Wang, Bi-Qin; Cao, Peng","Modular Synthesis of 2,8-Dioxabicyclo[3.2.1]octanes by Sequential Catalysis","ACS Catalysis","2019","","","11788","","10.1021/acscatal.9b04183","","x-ray","0.71073","MoKα","","0.1191","0.0536","","","0.0933","0.1191","","","","","","0.992","","","","has coordinates","242168","2020-10-21","18:00:00",""
"4517147","6.326","0.0003","10.0783","0.0004","12.7658","0.0005","69.309","0.002","86.674","0.002","77.439","0.002","743.01","0.06","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","2","","Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R.","Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts","ACS Catalysis","2019","","","51","","10.1021/acscatal.9b03874","","","1.54178","CuKα","","0.0475","0.0461","","","0.1288","0.1308","","","","","","1.054","","","","has coordinates","243786","2020-10-21","18:00:00",""
"4517148","6.3498","0.0003","10.024","0.0004","11.8562","0.0005","90","","98.403","0.001","90","","746.55","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R.","Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts","ACS Catalysis","2019","","","51","","10.1021/acscatal.9b03874","","","1.54178","CuKα","","0.0361","0.0357","","","0.1027","0.1031","","","","","","1.119","","","","has coordinates","243787","2020-10-21","18:00:00",""
"4517149","17.416","0.004","15.909","0.004","17.479","0.004","90","","111.302","0.003","90","","4512.1","1.9","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","Ru2","","","- C36 H58 Cl3 F3 N2 O7 P2 Ru2 S -","- C36 H58 Cl3 F3 N2 O7 P2 Ru2 S -","- C144 H232 Cl12 F12 N8 O28 P8 Ru8 S4 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols","ACS Catalysis","2019","","","56","","10.1021/acscatal.9b03679","","","0.71073","MoKα","","0.0335","0.0265","","","0.0633","0.0672","","","","","","1.046","","","","has coordinates,has disorder","243788","2020-10-21","18:00:00",""
"4517150","13.4","0.005","20.266","0.008","19.218","0.008","90","","97.812","0.006","90","","5170","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Ru3","","","- C44 H71 Cl2 F3 N3 O4 P3 Ru3 S -","- C44.001 H71 Cl2 F3.003 N3 O4.003 P3 Ru3 S1.001 -","- C176.004 H284 Cl8 F12.012 N12 O16.012 P12 Ru12 S4.004 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols","ACS Catalysis","2019","","","56","","10.1021/acscatal.9b03679","","","0.71073","MoKα","","0.0835","0.0409","","","0.07","0.0771","","","","","","1.002","","","","has coordinates,has disorder","243789","2020-10-21","18:00:00",""
"4517162","12.2076","0.0007","12.7468","0.0007","16.7154","0.0009","75.2715","0.0007","69.3507","0.0007","63.0204","0.0006","2155.2","0.2","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C53 H44 Cl Fe N O3 S -","- C53 H44 Cl Fe N O3 S -","- C106 H88 Cl2 Fe2 N2 O6 S2 -","2","2","","Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi","Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis","ACS Catalysis","2019","","","292","","10.1021/acscatal.9b04438","","","0.71073","MoKα","","0.0479","0.043","","","0.1107","0.1148","","","","","","1.034","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4517163","10.9661","0.0008","17.5243","0.0012","19.8084","0.0014","90","","90","","90","","3806.6","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H46 Fe N2 -","- C50 H46 Fe N2 -","- C200 H184 Fe4 N8 -","4","1","","Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi","Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis","ACS Catalysis","2019","","","292","","10.1021/acscatal.9b04438","","","0.71073","MoKα","","0.0582","0.0417","","","0.0838","0.0908","","","","","","1.051","","","","has coordinates","245060","2020-10-21","18:00:00",""
"4517164","13.0414","0.0011","5.7208","0.0004","14.1145","0.0012","90","","93.997","0.004","90","","1050.48","0.15","99","2","99","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N S -","- C25 H29 N S -","- C50 H58 N2 S2 -","2","1","","Feng, Sheng; Hao, Hua; Liu, Peng; Buchwald, Stephen L.","Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes","ACS Catalysis","2019","","","282","","10.1021/acscatal.9b04871","","","0.71073","MoKα","","0.0454","0.044","","","0.1092","0.1098","","","","","","1.125","","","","has coordinates,has disorder","245061","2020-10-21","18:00:00",""
"4517165","9.5205","0.0003","13.2892","0.0004","14.2405","0.0004","76.299","0.003","75.44","0.003","73.252","0.003","1643.39","0.09","172.99","0.1","172.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H40 Cl Fe N O P S -","- C37 H40 Cl Fe N O P S -","- C74 H80 Cl2 Fe2 N2 O2 P2 S2 -","2","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.0809","0.0645","","","0.1721","0.207","","","","","","1.044","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517166","15.0306","0.0007","14.4302","0.0006","20.0912","0.0009","90","","106.058","0.005","90","","4187.6","0.3","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 Fe O P2 S2 -","- C49 H50 Fe O P2 S2 -","- C196 H200 Fe4 O4 P8 S8 -","4","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","0.71073","MoKα","","0.0873","0.05","","","0.1292","0.143","","","","","","1.068","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517167","11.3428","0.0003","11.7215","0.0003","24.5548","0.0007","90","","90","","90","","3264.67","0.15","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C144 H192 N16 O8 -","8","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.079","0.0586","","","0.131","0.1517","","","","","","1.125","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517168","16.3043","0.0004","8.1054","0.0002","18.5358","0.0005","90","","90","","90","","2449.56","0.11","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N -","- C17 H15 N -","- C136 H120 N8 -","8","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.0548","0.0463","","","0.1182","0.1294","","","","","","1.093","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517169","9.6851","0.0003","7.3807","0.0003","31.3965","0.0011","90","","90","","90","","2244.31","0.14","180.01","0.12","180.01","0.12","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Wu, Bin; Zhu, Rong","Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes","ACS Catalysis","2019","10","1","510","","10.1021/acscatal.9b04774","","x-ray","1.54184","CuKα","","0.0795","0.0755","","","0.1797","0.182","","","","","","1.022","","","","has coordinates","246531","2020-10-21","18:00:00",""
"4517170","19.1587","0.0012","20.6734","0.0011","20.688","0.0009","90","","107.466","0.002","90","","7816.2","0.7","149.96","","149.96","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H39 N O3 P2 Ru -","- C49 H39 N O3 P2 Ru -","- C392 H312 N8 O24 P16 Ru8 -","8","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.024","0.0217","","","0.0583","0.06","","","","","","1.052","","","","has coordinates","245064","2020-10-21","18:00:00",""
"4517171","8.9649","0.0008","9.952","0.0007","11.7814","0.0011","100.554","0.003","105.986","0.003","111.878","0.002","888.28","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 Cl N4 -","- C21 H19 Cl N4 -","- C42 H38 Cl2 N8 -","2","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0407","0.0376","","","0.1031","0.1059","","","","","","1.078","","","","has coordinates","245065","2020-10-21","18:00:00",""
"4517172","19.3115","0.0008","5.8472","0.0003","12.709","0.0005","90","","106.294","0.002","90","","1377.44","0.11","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 -","- C18 H15 F N2 -","- C72 H60 F4 N8 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.06","0.0546","","","0.1202","0.1234","","","","","","1.159","","","","has coordinates,has disorder","245066","2020-10-21","18:00:00",""
"4517173","16.2264","0.0008","9.3716","0.0004","17.7053","0.001","90","","90","","90","","2692.4","0.2","100.1","","100.1","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 N2 O2 P Ru -","- C33 H29 N2 O2 P Ru -","- C132 H116 N8 O8 P4 Ru4 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.016","0.0155","","","0.0408","0.0412","","","","","","1.034","","","","has coordinates","245067","2020-10-21","18:00:00",""
"4517174","11.9019","0.0007","15.2039","0.0009","24.7562","0.0015","90","","93.907","0.003","90","","4469.4","0.5","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H53 N O3.5 P2 Ru -","- C55 H53 N O3.5 P2 Ru -","- C220 H212 N4 O14 P8 Ru4 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0516","0.0435","","","0.1132","0.1183","","","","","","1.048","","","","has coordinates,has disorder","245068","2020-10-21","18:00:00",""
"4517175","18.7085","0.0006","6.2302","0.0002","24.4878","0.001","90","","90","","90","","2854.24","0.17","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C144 H128 N16 O8 -","8","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0469","0.0436","","","0.108","0.1102","","","","","","1.068","","","","has coordinates","245069","2020-10-21","18:00:00",""
"4517176","8.1191","0.0004","5.6386","0.0003","31.0628","0.0017","90","","93.276","0.002","90","","1419.74","0.13","100","","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 O -","- C18 H15 F N2 O -","- C72 H60 F4 N8 O4 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0389","0.037","","","0.0984","0.1001","","","","","","1.039","","","","has coordinates","245070","2020-10-21","18:00:00",""
"4517177","11.2425","0.0007","9.3295","0.0006","16.3348","0.0011","90","","94.764","0.002","90","","1707.39","0.19","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F N4 -","- C21 H19 F N4 -","- C84 H76 F4 N16 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0428","0.0392","","","0.1076","0.1096","","","","","","1.041","","","","has coordinates","245071","2020-10-21","18:00:00",""
"4517178","6.3344","0.0007","12.4251","0.0018","13.9524","0.0019","106.848","0.005","91.291","0.005","93.64","0.005","1047.9","0.2","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C54 H44 N8 O4 -","2","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0433","0.0393","","","0.1089","0.1124","","","","","","1.045","","","","has coordinates","245072","2020-10-21","18:00:00",""
"4517179","10.4593","0.001","16.8136","0.0017","16.9094","0.0011","94.418","0.002","94.02","0.003","90.953","0.003","2956.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 B F2 N6 -","- C34 H33 B F2 N6 -","- C136 H132 B4 F8 N24 -","4","2","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0569","0.0464","","","0.1217","0.1302","","","","","","1.031","","","","has coordinates","245073","2020-10-21","18:00:00",""
"4517180","10.1416","0.0006","27.4937","0.0013","10.2461","0.0006","90","","101.977","0.002","90","","2794.7","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 N5 O2 -","- C33 H35 N5 O2 -","- C132 H140 N20 O8 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0455","0.0409","","","0.1081","0.1117","","","","","","1.039","","","","has coordinates","245074","2020-10-21","18:00:00",""
"4517181","12.2928","0.0003","6.0102","0.0001","36.9034","0.0009","90","","90","","90","","2726.5","0.1","99.97","","99.97","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","2","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0443","0.0431","","","0.1153","0.1162","","","","","","1.05","","","","has coordinates,has disorder","245075","2020-10-21","18:00:00",""
"4517182","19.389","0.005","15.694","0.004","17.49","0.004","90","","101.224","0.002","90","","5220","2","172.99","0.1","172.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Mo O2 P S -","- C30 H29 Mo O2 P S -","- C240 H232 Mo8 O16 P8 S8 -","8","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","","0.71","synchrotron","","0.0517","0.0351","","","0.0725","0.0822","","","","","","1.0553","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517183","11.1302","0.0005","13.2104","0.0005","13.9442","0.0005","75.533","0.003","73.017","0.004","67.252","0.004","1786.43","0.14","172.99","0.1","173","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H38 B2 F8 Mo N3 P S -","- C34 H38 B2 F8 Mo N3 P S -","- C68 H76 B4 F16 Mo2 N6 P2 S2 -","2","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","","0.71","MoKα","","0.0519","0.0438","","","0.1065","0.1135","","","","","","1.072","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517184","11.1248","0.0002","18.197","0.0003","12.9432","0.0002","90","","90.632","0.002","90","","2620.04","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Mo N P S -","- C30 H32 Mo N P S -","- C120 H128 Mo4 N4 P4 S4 -","4","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","x-ray","1.54184","CuKα","","0.0585","0.0433","","","0.1017","0.1163","","","","","","1.0278","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517185","10.8462","0.0002","16.9076","0.0003","14.8894","0.0003","90","","105.26","0.002","90","","2634.19","0.09","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Mo P S -","- C28 H32 B Mo P S -","- C112 H128 B4 Mo4 P4 S4 -","4","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","x-ray","1.54184","CuKα","","0.0463","0.0364","","","0.0933","0.1029","","","","","","1.048","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517213","11.0969","0.0003","18.3586","0.0005","12.3866","0.0003","90","","94.46","0.002","90","","2515.8","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 F6 O4 P4 Pd -","- C58 H52 F6 O4 P4 Pd -","- C116 H104 F12 O8 P8 Pd2 -","2","0.5","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0386","0.0291","","","0.0637","0.0694","","","","","","1.049","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517214","11.3082","0.0005","17.6113","0.0011","13.8182","0.0006","90","","92.789","0.004","90","","2748.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl2 P2 Pd -","- C29 H30 Cl2 P2 Pd -","- C116 H120 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0541","0.0377","","","0.0735","0.0821","","","","","","1.022","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517215","21.8565","0.0006","14.7082","0.0004","22.7524","0.0006","90","","90","","90","","7314.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl4 P2 Pd -","- C36 H44 Cl4 P2 Pd -","- C288 H352 Cl32 P16 Pd8 -","8","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0713","0.0469","","","0.1043","0.1192","","","","","","1.046","","","","has coordinates,has disorder","246532","2020-10-21","18:00:00",""
"4517216","11.2984","0.0005","20.6157","0.0008","14.14","0.0006","90","","110.081","0.005","90","","3093.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Cl2 P2 Pd -","- C33 H38 Cl2 P2 Pd -","- C132 H152 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","x-ray","0.71073","MoKα","","0.0536","0.0352","","","0.074","0.0829","","","","","","1.033","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517217","5.1932","0.0002","15.4161","0.0006","18.5227","0.0012","72.871","0.005","83.638","0.004","89.832","0.003","1407.71","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","1","0.5","","Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji","Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids","ACS Catalysis","2019","10","1","683","","10.1021/acscatal.9b03894","","x-ray","1.54184","CuKα","","0.107","0.0953","","","0.2701","0.2797","","","","","","1.06","","","","has coordinates,has disorder","246533","2020-10-21","18:00:00",""
"4517218","22.0893","0.0004","9.47947","0.00015","14.2315","0.0003","90","","107.915","0.002","90","","2835.51","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O4 S Si4 -","- C20 H40 O4 S Si4 -","- C80 H160 O16 S4 Si16 -","4","1","","Zhang, Zhikun; Hu, Xile","Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis","ACS Catalysis","2019","10","1","777","","10.1021/acscatal.9b04916","","x-ray","1.54184","CuKα","","0.0428","0.0414","","","0.1124","0.1139","","","","","","1.047","","","","has coordinates","246530","2020-10-21","18:00:00",""
"4517264","28.645","0.006","9.1579","0.0018","22.276","0.005","90","","126.87","0.03","90","","4675","3","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C232 H208 N16 O24 -","8","1","","Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes","ACS Catalysis","2019","","","933","","10.1021/acscatal.9b04285","","","0.71073","MoKα","","0.0806","0.0601","","","0.1472","0.1631","","","","","","1.068","","","","has coordinates","246013","2020-10-21","18:00:00",""
"4517265","7.5427","0.0003","6.6034","0.0004","39.366","0.003","90","","94.005","0.005","90","","1955.9","0.2","128.15","","128.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C96 H84 Br4 N8 O4 -","4","1","","Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes","ACS Catalysis","2019","","","933","","10.1021/acscatal.9b04285","","x-ray","0.71073","MoKα","","0.1108","0.0898","","","0.1595","0.1658","","","","","","1.273","","","","has coordinates","246014","2020-10-21","18:00:00",""
"4517271","11.8057","0.0003","15.6134","0.0003","15.6605","0.0004","116.403","0.002","99.017","0.002","106.38","0.002","2343.1","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C49 H85 Cl O2.5 P2 Pd -","- C49 H85 Cl O2.5 P2 Pd -","- C98 H170 Cl2 O5 P4 Pd2 -","2","1","","Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H.","Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3","ACS Catalysis","2019","","","999","","10.1021/acscatal.9b04666","","x-ray","1.54184","CuKα","","0.0301","0.0273","","","0.0686","0.0707","","","","","","1.032","","","","has coordinates,has disorder","246259","2020-10-21","18:00:00",""
"4517272","11.3247","0.0006","12.9036","0.0007","15.526","0.0009","86.814","0.004","87.399","0.004","68.191","0.005","2102.4","0.2","99.9","0.14","99.9","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C43 H76 Cl N P2 Pd -","- C43 H76 Cl N P2 Pd -","- C86 H152 Cl2 N2 P4 Pd2 -","2","1","","Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H.","Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3","ACS Catalysis","2019","","","999","","10.1021/acscatal.9b04666","","x-ray","1.54184","CuKα","","0.0341","0.0283","","","0.0712","0.0748","","","","","","1.034","","","","has coordinates","246260","2020-10-21","18:00:00",""
"4517273","11.6891","0.0003","12.0707","0.0005","23.6505","0.0005","80.935","0.002","76.32","0.002","70.62","0.003","3047.2","0.17","100.4","0.6","100.4","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C64 H116 P4 Pd -","- C64 H116 P4 Pd -","- C128 H232 P8 Pd2 -","2","1","","Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H.","Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3","ACS Catalysis","2019","","","999","","10.1021/acscatal.9b04666","","x-ray","1.54184","CuKα","","0.0444","0.0323","","","0.076","0.0835","","","","","","1.023","","","","has coordinates","246261","2020-10-21","18:00:00",""
"4517274","6.7438","0.0015","15.597","0.003","19.696","0.004","68.339","0.006","81.912","0.006","81.492","0.006","1895.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CrtbudhbpyClH2O","","","- C40 H51 Cl Cr N3 O3 -","- C40 H51 Cl Cr N3 O3 -","- C80 H102 Cl2 Cr2 N6 O6 -","2","1","","Hooe, Shelby L.; Dressel, Julia M.; Dickie, Diane A.; Machan, Charles W.","Highly Efficient Electrocatalytic Reduction of CO2 to CO by a Molecular Chromium Complex","ACS Catalysis","2019","","","1146","","10.1021/acscatal.9b04687","","","0.71073","MoKα","","0.1277","0.0561","","","0.1112","0.1366","","","","","","1.006","","","","has coordinates","246262","2020-10-21","18:00:00",""
"4517285","11.2351","0.001","5.6546","0.0005","11.98","0.001","90","","96.909","0.005","90","","755.56","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0481","0.0398","","","0.0927","0.0966","","","","","","1.087","","","","has coordinates","246324","2020-10-21","18:00:00",""
"4517286","13.5174","0.0007","6.0844","0.0004","24.6942","0.0013","90","","92.239","0.004","90","","2029.4","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O -","- C25 H31 N O -","- C100 H124 N4 O4 -","4","2","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0528","0.0424","","","0.0932","0.1007","","","","","","1.038","","","","has coordinates","246325","2020-10-21","18:00:00",""
"4517287","9.9772","0.0006","10.027","0.0007","21.2241","0.0013","90","","90","","90","","2123.3","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O -","- C25 H31 N O -","- C100 H124 N4 O4 -","4","1","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0777","0.0734","","","0.1773","0.1799","","","","","","1.084","","","","has coordinates,has disorder","246326","2020-10-21","18:00:00",""
"4517292","9.2782","0.0001","9.2782","0.0001","39.8985","0.0013","90","","90","","90","","3434.66","0.12","296","2","296","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H23 N O -","- C18 H23 N O -","- C144 H184 N8 O8 -","8","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0873","0.0735","","","0.2262","0.2407","","","","","","1.062","","","","has coordinates","246429","2020-10-21","18:00:00",""
"4517293","5.6249","0.0003","8.6932","0.0007","34.663","0.002","90","","92.653","0.006","90","","1693.15","0.19","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0801","0.0539","","","0.1339","0.1552","","","","","","1.049","","","","has coordinates","246430","2020-10-21","18:00:00",""
"4517294","6.5339","0.0004","8.3328","0.0005","15.0376","0.0007","85.743","0.004","84.357","0.004","77.273","0.005","793.58","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C32 H42 N2 O6 -","2","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0575","0.0477","","","0.1369","0.1469","","","","","","1.046","","","","has coordinates","246431","2020-10-21","18:00:00",""
"4517295","9.47792","0.00011","11.47657","0.00011","15.35077","0.00016","90","","90","","90","","1669.76","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0542","0.053","","","0.1623","0.1647","","","","","","1.07","","","","has coordinates","246432","2020-10-21","18:00:00",""
"4517296","7.638","0.0001","11.3062","0.0002","20.7899","0.0003","90","","95.235","0.001","90","","1787.86","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0516","0.0463","","","0.1311","0.1384","","","","","","1.03","","","","has coordinates","246433","2020-10-21","18:00:00",""
"4517302","12.7592","0.0007","12.8409","0.0007","21.6356","0.0012","85.111","0.001","78.328","0.001","76.463","0.001","3372.4","0.3","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H61 B F24 N2 Pd -","- C69 H61 B F24 N2 Pd -","- C138 H122 B2 F48 N4 Pd2 -","2","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1179","0.0593","","","0.1191","0.1473","","","","","","1.006","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517303","13.8611","0.0016","16.2187","0.0019","16.4272","0.0019","90","","95.818","0.003","90","","3674","0.7","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 F6 N2 Pd Sb -","- C37 H49 F6 N2 Pd Sb -","- C148 H196 F24 N8 Pd4 Sb4 -","4","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.0572","0.0381","","","0.0752","0.0839","","","","","","1.014","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517304","12.2879","0.0006","12.5324","0.0007","25.74","0.0014","90","","101.171","0.001","90","","3888.8","0.4","120","2","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H49.88 B Cl3 F4 N2 Pd -","- C38 H49.886 B Cl3 F4 N2 Pd -","- C152 H199.544 B4 Cl12 F16 N8 Pd4 -","4","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1039","0.0843","","","0.1769","0.1854","","","","","","1.105","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517305","12.7466","0.0011","13.1407","0.0011","21.5974","0.0019","77.667","0.002","83.865","0.002","74.979","0.002","3408.2","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H63 B F24 N2 Pd -","- C70 H63 B F24 N2 Pd -","- C140 H126 B2 F48 N4 Pd2 -","2","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1379","0.0788","","","0.1746","0.2071","","","","","","1.011","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517310","9.2067","0.001","5.9745","0.0007","24.769","0.003","90","","91.977","0.007","90","","1361.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C72 H80 N8 -","4","1","","Padhi, Birakishore; Kang, Geunhee; Kim, Eunmin; Ha, Jeongmin; Kim, Hyun Tae; Lim, Jeewoo; Joo, Jung Min","Pd-Catalyzed C‒H Annulation of Five-Membered Heteroaryl Halides with Norbornene Derivatives","ACS Catalysis","2020","","","1792","1798","10.1021/acscatal.9b05177","","","0.71073","MoKα","","0.0773","0.0608","","","0.1601","0.17","","","","","","1.065","","","","has coordinates","257060","2020-10-21","18:00:00",""
"4517319","11.5972","0.0005","9.6059","0.0004","13.0289","0.0005","90","","107.205","0.004","90","","1386.49","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","","Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao","Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones","ACS Catalysis","2020","","","1947","1953","10.1021/acscatal.9b04112","","x-ray","1.54184","CuKα","","0.0628","0.0534","","","0.1404","0.16","","","","","","1.078","","","","has coordinates","257042","2020-10-21","18:00:00",""
"4517320","11.3444","0.0002","16.6403","0.0003","10.0554","0.0002","90","","103.695","0.002","90","","1844.23","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao","Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones","ACS Catalysis","2020","","","1947","1953","10.1021/acscatal.9b04112","","x-ray","1.54184","CuKα","","0.0529","0.0468","","","0.1209","0.1286","","","","","","1.061","","","","has coordinates,has disorder","257042","2020-10-21","18:00:00",""
"4517322","12.5702","0.0005","16.2085","0.0007","33.5599","0.0014","90","","90","","90","","6837.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinopropyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C36 H42 Fe N4 O6 -","- C36 H42 Fe N4 O6 -","- C288 H336 Fe8 N32 O48 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0706","0.0419","","","0.0848","0.0957","","","","","","1.046","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517323","12.3781","0.0008","16.2241","0.001","31.858","0.002","90","","90","","90","","6397.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinoethyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C34 H38.5 Fe N4 O6.25 -","- C34 H38.5 Fe N4 O6.25 -","- C272 H308 Fe8 N32 O50 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0524","0.0368","","","0.0857","0.0944","","","","","","1.016","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517324","15.3766","0.0003","15.3766","0.0003","15.4761","0.0005","90","","90","","90","","3659.17","0.16","180.01","0.1","180.01","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H10 F20 N4 Ni O2 -","- C43 H10 F20 N4 Ni O2 -","- C172 H40 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0476","0.041","","","0.1058","0.1149","","","","","","1.096","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517325","15.4016","0.0001","15.4016","0.0001","15.4334","0.0004","90","","90","","90","","3660.95","0.1","180.1","0.2","180.1","0.2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H8 F20 N4 Ni O2 -","- C43 H8 F20 N4 Ni O2 -","- C172 H32 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0313","0.0305","","","0.0865","0.0875","","","","","","1.043","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517326","8.379","0.0007","9.2459","0.0008","12.5657","0.001","80.0558","0.0019","75.674","0.002","72.1841","0.0017","893","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Br2 N2 Ni O S -","- C16 H18 Br2 N2 Ni O S -","- C32 H36 Br4 N4 Ni2 O2 S2 -","2","1","","Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki","Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn","ACS Catalysis","2020","","","2117","2123","10.1021/acscatal.9b05141","","","0.71073","MoKα","","0.0323","0.0238","","","0.0537","0.0562","","","","","","1.056","","","","has coordinates","257027","2020-10-21","18:00:00",""
"4517327","12.3683","0.0006","11.2848","0.0005","32.6128","0.0013","90","","90","","90","","4551.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Br N4 Ni -","- C28 H24 Br N4 Ni -","- C224 H192 Br8 N32 Ni8 -","8","1","","Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki","Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn","ACS Catalysis","2020","","","2117","2123","10.1021/acscatal.9b05141","","","0.71075","MoKα","","0.1232","0.0617","","","0.1337","0.1561","","","","","","1.068","","","","has coordinates","257027","2020-10-21","18:00:00",""
"4517328","18.1357","0.0003","18.1424","0.0004","17.9779","0.0004","90","","90.1029","0.0015","90","","5915.2","0.2","150.01","0.12","150.01","0.12","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H60 B F24 P2 Rh -","- C57 H60 B F24 P2 Rh -","- C228 H240 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0273","0.0269","","","0.0706","0.0711","","","","","","1.049","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517329","35.55","0.0005","17.7103","0.0002","18.7565","0.0003","90","","90","","90","","11809.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H56 B F26 P2 Rh -","- C56 H56 B F26 P2 Rh -","- C448 H448 B8 F208 P16 Rh8 -","8","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.1167","0.1069","","","0.278","0.2856","","","","","","1.032","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517330","13.8945","0.0002","17.8193","0.0002","23.5243","0.0004","90","","96.457","0.001","90","","5787.44","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B F24 P2 Rh -","- C54 H60 B F24 P2 Rh -","- C216 H240 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.055","0.041","","","0.104","0.1133","","","","","","1.025","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517331","17.59335","0.00007","18.77356","0.0001","35.33268","0.00014","90","","91.6093","0.0004","90","","11665.4","0.09","150.02","0.18","150.02","0.18","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H58 B F24 P2 Rh -","- C54 H58 B F24 P2 Rh -","- C432 H464 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.038","0.0332","","","0.0839","0.0874","","","","","","1.017","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517332","24.0564","0.0002","18.6694","0.0002","12.3508","0.0001","90","","90","","90","","5546.97","0.09","150","0.13","150","0.13","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C202 H212 B4 Cl4 F96 P8 Rh4 -","2","0.5","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0477","0.0441","","","0.11","0.113","","","","","","1.03","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517333","13.4962","0.0005","15.0316","0.0004","15.0479","0.0003","86.52","0.002","82.231","0.002","64.562","0.003","2731.48","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H53.94 B F24 P2 Rh -","- C50 H53.9326 B F24 P2 Rh -","- C100 H107.865 B2 F48 P4 Rh2 -","2","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0462","0.0413","","","0.1051","0.1094","","","","","","1.02","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517334","12.0444","0.0006","14.0441","0.0006","25.7109","0.0008","93.9","0.003","97.182","0.004","92.677","0.004","4298.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H71 Cl F2 O P2 Pd -","- C44 H71 Cl F2 O P2 Pd -","- C176 H284 Cl4 F8 O4 P8 Pd4 -","4","2","","Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane","Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage","ACS Catalysis","2020","","","2189","2197","10.1021/acscatal.9b05159","","x-ray","0.71073","MoKα","","0.1141","0.0716","","","0.1742","0.2236","","","","","","1.158","","","","has coordinates","257035","2020-10-21","18:00:00",""
"4517335","13.4397","0.001","18.3716","0.0012","21.7868","0.0013","81.169","0.005","89.195","0.006","73.803","0.007","5102.3","0.6","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H76.5 F4 N0.5 O3 P2 Pd -","- C53 H76.5 F4 N0.5 O3 P2 Pd -","- C212 H306 F16 N2 O12 P8 Pd4 -","4","2","","Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane","Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage","ACS Catalysis","2020","","","2189","2197","10.1021/acscatal.9b05159","","x-ray","0.71073","MoKα","","0.1513","0.0762","","","0.1712","0.2339","","","","","","1.061","","","","has coordinates,has disorder","257035","2020-10-21","18:00:00",""
"4517336","9.8179","0.0001","14.1041","0.0001","20.6209","0.0002","90","","99.978","0.001","90","","2812.24","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Ag F9 O P -","- C28 H39 Ag F9 O P -","- C112 H156 Ag4 F36 O4 P4 -","4","1","","Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides","ACS Catalysis","2020","","","2100","2107","10.1021/acscatal.9b05334","","x-ray","1.54184","CuKα","","0.0291","0.029","","","0.0727","0.0727","","","","","","1.091","","","","has coordinates,has disorder","257038","2020-10-21","18:00:00",""
"4517337","27.5364","0.0005","15.9525","0.0002","25.9141","0.0005","90","","112.975","0.002","90","","10480.4","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H172 Ag4 Br4 Cl6 P4 -","- C98 H158 Ag4 Br4 Cl6 P4 -","- C392 H632 Ag16 Br16 Cl24 P16 -","4","0.5","","Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides","ACS Catalysis","2020","","","2100","2107","10.1021/acscatal.9b05334","","x-ray","1.54184","CuKα","","0.0374","0.0332","","","0.084","0.0859","","","","","","1.055","","","","has coordinates","257038","2020-10-21","18:00:00",""
"4517338","9.051","0.006","12.257","0.005","23.016","0.004","99.247","0.003","100.894","0.002","94.83","0.004","2457","2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Keinan162b (Ofer)","","","- C53 H54 Cl2 N2 O3 P Ru -","- C53 H54 Cl2 N2 O3 P Ru -","- C106 H108 Cl4 N4 O6 P2 Ru2 -","2","1","","Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel","Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis","ACS Catalysis","2020","","","2033","2038","10.1021/acscatal.9b05079","","","0.71073","MoKα","","0.1804","0.0796","","","0.1629","0.2122","","","","","","0.908","","","","has coordinates","257052","2020-10-21","18:00:00",""
"4517339","14.3812","0.0002","16.1503","0.0002","26.0144","0.0003","90","","100.411","0.001","90","","5942.65","0.13","200","50","200","50","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H62 Cl2 N5 O9 P Ru -","- C61 H62 Cl2 N5 O9 P Ru -","- C244 H248 Cl8 N20 O36 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel","Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis","ACS Catalysis","2020","","","2033","2038","10.1021/acscatal.9b05079","","x-ray","1.54184","CuKα","","0.0452","0.0412","","","0.1144","0.1177","","","","","","1.078","","","","has coordinates,has disorder","257052","2020-10-21","18:00:00",""
"4517340","5.7494","0.0006","9.6543","0.001","10.4417","0.0011","100.704","0.002","91.306","0.002","94.062","0.002","567.68","0.1","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H22 N O7 P -","- C25 H22 N O7 P -","- C25 H22 N O7 P -","1","1","","Trost, Barry M.; Shinde, Anand H.; Wang, Youliang; Zuo, Zhijun; Min, Chang","Palladium-Catalyzed Regio-, Enantio-, and Diastereoselective Asymmetric [3 + 2] Cycloaddition Reactions: Synthesis of Chiral Cyclopentyl Phosphonates","ACS Catalysis","2020","","","1969","1975","10.1021/acscatal.9b05073","","","1.54178","CuKα","","0.0772","0.0649","","","0.1898","0.2359","","","","","","1.221","","","","has coordinates","257053","2020-10-21","18:00:00",""
"4517359","8.269","0.0002","9.9012","0.0002","13.5986","0.0002","90","","90","","90","","1113.36","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C48 H48 Cl4 N4 O8 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0306","0.0296","","","0.0702","0.0721","","","","","","1.107","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517360","5.6803","0.0002","9.2798","0.0003","9.3092","0.0003","90","","90.739","0.003","90","","490.67","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0482","0.0438","","","0.1144","0.1183","","","","","","1.057","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517361","9.1592","0.0018","11.449","0.002","27.96","0.006","90","","90","","90","","2932","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 I N O5 P -","- C30 H35 I N O5 P -","- C120 H140 I4 N4 O20 P4 -","4","1","","Yang, Guo-Hui; Zheng, Hanliang; Li, Xin; Cheng, Jin-Pei","Asymmetric Synthesis of Axially Chiral Phosphamides via Atroposelective N-Allylic Alkylation","ACS Catalysis","2020","","","2324","2333","10.1021/acscatal.9b05443","","","0.71073","MoKα","","0.0333","0.0293","","","0.0614","0.078","","","","","","1.057","","","","has coordinates","257046","2020-10-21","18:00:00",""
"4517365","10.9997","0.0001","10.5162","0.0001","14.1245","0.0001","90","","106.586","0.001","90","","1565.87","0.02","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H36 Fe N O P S -","- C37 H36 Fe N O P S -","- C74 H72 Fe2 N2 O2 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0452","0.0441","","","0.115","0.1157","","","","","","1.058","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517366","9.5052","0.0001","11.4481","0.0001","11.0312","0.0001","90","","93.722","0.001","90","","1197.84","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H23 O P -","- C32 H23 O P -","- C64 H46 O2 P2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0971","0.0974","","","","","","1.053","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517367","10.3729","0.0003","11.5112","0.0002","15.6134","0.0003","90","","106.888","0.002","90","","1783.91","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1537","0.1546","","","","","","1.049","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517368","13.5499","0.0005","15.2341","0.0005","24.4346","0.0009","90","","90","","90","","5043.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F3 N O6 S -","- C27 H24 F3 N O6 S -","- C216 H192 F24 N8 O48 S8 -","8","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0527","","","","0.127","","","","","","1.032","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517369","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517370","9.4313","0.0003","11.4154","0.0004","13.8509","0.0004","84.332","0.006","74.645","0.006","85.308","0.006","1428.55","0.09","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F4 N O6 S -","- C29 H29 F4 N O6 S -","- C58 H58 F8 N2 O12 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0484","","","","0.1277","","","","","","1.035","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517371","12.177","0.003","18.604","0.004","20.729","0.005","111.648","0.003","101.917","0.003","95.562","0.003","4192.6","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89.83 Co Ga N7 O0 P5 -","- C75 H90 Co Ga N7 P5 -","- C150 H180 Co2 Ga2 N14 P10 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.0531","0.0353","","","0.0876","0.0943","","","","","","1.036","","","","has coordinates,has disorder","257032","2020-10-21","18:00:00",""
"4517372","12.2163","0.0015","18.704","0.003","20.45","0.004","112.181","0.007","100.878","0.009","95.913","0.008","4170.4","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","16259_[InCo(N2)]PPN","","","- C79 H98 Co In N7 O P5 -","- C79 H98 Co In N7 O P5 -","- C158 H196 Co2 In2 N14 O2 P10 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.0572","0.0359","","","0.0905","0.1052","","","","","","1.05","","","","has coordinates","257032","2020-10-21","18:00:00",""
"4517373","12.329","0.006","27.522","0.013","12.652","0.007","90","","105.97","0.02","90","","4127","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","19092_AlCoH","","","- C42 H64 Al Co N4 P3 -","- C42 H64 Al Co N4 P3 -","- C168 H256 Al4 Co4 N16 P12 -","4","2","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.101","0.0551","","","0.0961","0.1101","","","","","","1.02","","","","has coordinates","257032","2020-10-21","18:00:00",""
"4517374","12.4071","0.0013","19.343","0.002","19.588","0.002","110.472","0.004","97.544","0.004","101.928","0.003","4201.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","18200_GaCoH","","","- C82 H132 Co2 Ga2 N8 O P6 -","- C82 H132 Co2 Ga2 N8 O P6 -","- C164 H264 Co4 Ga4 N16 O2 P12 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.1088","0.0741","","","0.1561","0.1723","","","","","","1.085","","","","has coordinates,has disorder","257032","2020-10-21","18:00:00",""
"4517382","13.3534","0.0002","19.2873","0.0003","14.681","0.0002","90","","94.714","0.002","90","","3768.32","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 F3 O Si -","- C20 H23 F3 O Si -","- C160 H184 F24 O8 Si8 -","8","2","","Iwamoto, Hiroaki; Hayashi, Yuta; Ozawa, Yu; Ito, Hajime","Silyl-Group-Directed Linear-Selective Allylation of Carbonyl Compounds with Trisubstituted Allylboronates Using a Copper(I) Catalyst","ACS Catalysis","2020","","","2471","","10.1021/acscatal.9b05408","","x-ray","1.54184","CuKα","","0.0552","0.0516","","","0.1733","0.1793","","","","","","1.114","","","","has coordinates","247843","2020-10-21","18:00:00",""
"4517383","9.6286","0.0003","10.7523","0.0003","25.4679","0.0008","90","","90","","90","","2636.68","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Br2 O4 -","- C31 H26 Br2 O4 -","- C124 H104 Br8 O16 -","4","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0455","0.0321","","","0.0562","0.0613","","","","","","1.047","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517384","7.712","0.002","10.915","0.003","12.298","0.003","114.959","0.006","99.228","0.006","100.157","0.007","891.3","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C48 H40 O6 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0868","0.0541","","","0.1265","0.1469","","","","","","0.992","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517385","8.89","0.0004","21.1643","0.0011","11.0358","0.0005","90","","104.694","0.002","90","","2008.48","0.17","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H42 O2 P2 -","- C53 H42 O2 P2 -","- C106 H84 O4 P4 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0643","0.0458","","","0.0891","0.1004","","","","","","1.036","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517389","26.451","0.007","7.875","0.002","13.315","0.004","90","","94.256","0.006","90","","2765.9","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C128 H112 N32 O8 -","8","1","","Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi","Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation","ACS Catalysis","2020","","","2627","","10.1021/acscatal.9b04491","","","0.71075","MoKα","","0.0504","0.0342","","","0.0802","0.084","","","","","","0.936","","","","has coordinates","247951","2020-10-21","18:00:00",""
"4517390","12.465","0.009","11.018","0.007","22.209","0.015","90","","92.386","0.014","90","","3048","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C128 H120 Cl8 N32 O8 -","8","1","","Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi","Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation","ACS Catalysis","2020","","","2627","","10.1021/acscatal.9b04491","","","0.71075","MoKα","","0.0525","0.0446","","","0.1074","0.1089","","","","","","0.91","","","","has coordinates","247952","2020-10-21","18:00:00",""
"4517391","6.62","0.0003","7.8565","0.0005","17.0496","0.0007","83.308","0.004","86.928","0.004","73.022","0.005","842.15","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Br Mn N2 O3 S -","- C15 H14 Br Mn N2 O3 S -","- C30 H28 Br2 Mn2 N4 O6 S2 -","2","1","","Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab","A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols","ACS Catalysis","2020","","","2615","","10.1021/acscatal.9b05567","","x-ray","1.54184","CuKα","","0.0464","0.0368","","","0.0886","0.0943","","","","","","0.98","","","","has coordinates","247953","2020-10-21","18:00:00",""
"4517392","7.5394","0.0003","9.7257","0.0004","11.6722","0.0005","108.97","0.004","99.234","0.003","101.738","0.003","768.37","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 Br Mn N2 O3 S -","- C14 H12 Br Mn N2 O3 S -","- C28 H24 Br2 Mn2 N4 O6 S2 -","2","1","","Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab","A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols","ACS Catalysis","2020","","","2615","","10.1021/acscatal.9b05567","","x-ray","1.54184","CuKα","","0.054","0.0536","","","0.1396","0.14","","","","","","1.063","","","","has coordinates","247954","2020-10-21","18:00:00",""
"4517394","14.1788","0.0011","8.3217","0.0006","17.7545","0.0016","90","","107.843","0.003","90","","1994.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","2","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.1504","0.07","","","0.1124","0.1414","","","","","","1.05","","","","has coordinates","247994","2020-10-21","18:00:00",""
"4517395","10.9657","0.0008","14.7551","0.0012","16.165","0.0012","102.59","0.0017","97.3713","0.0016","101.976","0.002","2455.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","1","1","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.08","0.0611","","","0.1464","0.1567","","","","","","1.063","","","","has coordinates,has disorder","247995","2020-10-21","18:00:00",""
"4517422","15.631","0.0004","9.89045","0.00019","15.9579","0.0004","90","","113.655","0.003","90","","2259.77","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 F O6 -","- C26 H25 F O6 -","- C104 H100 F4 O24 -","4","1","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","1.54184","CuKα","","0.0435","0.0387","","","0.0995","0.1026","","","","","","1.057","","","","has coordinates,has disorder","257014","2020-10-21","18:00:00",""
"4517423","8.4862","0.0004","11.6076","0.0005","21.8095","0.0008","81.344","0.003","79.625","0.003","70.309","0.004","1980.25","0.15","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","2","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","0.71073","MoKα","","0.0603","0.0433","","","0.1089","0.1164","","","","","","1.055","","","","has coordinates","257014","2020-10-21","18:00:00",""
"4517424","10.4234","0.0001","6.0234","0.0001","15.0661","0.0001","90","","90.369","0.001","90","","945.895","0.019","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","1.54184","CuKα","","0.0325","0.0321","","","0.0838","0.0841","","","","","","1.0697","","","","has coordinates","257014","2020-10-21","18:00:00",""
"4517425","7.97537","0.00005","7.97537","0.00005","34.7796","0.0003","90","","90","","90","","2212.21","0.03","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0272","0.0271","","","0.0699","0.07","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517426","7.97639","0.00005","7.97639","0.00005","34.7863","0.0003","90","","90","","90","","2213.2","0.03","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0268","0.0265","","","0.0663","0.0665","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517427","8.6719","0.0007","15.1388","0.0012","9.5746","0.0007","90","","116.469","0.004","90","","1125.21","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jr001","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","0.71073","MoKα","","0.0503","0.043","","","0.111","0.1165","","","","","","1.081","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517428","14.853","0.002","18.958","0.002","22.386","0.003","105.048","0.006","92.216","0.012","95.751","0.012","6043","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H64 F45 P5 Ru2 -","- C105 H64 F45 P5 Ru2 -","- C210 H128 F90 P10 Ru4 -","2","1","","Estes, Deven P.; Leutzsch, Markus; Schubert, Lukas; Bordet, Alexis; Leitner, Walter","Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid Using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study","ACS Catalysis","2020","","","2990","2998","10.1021/acscatal.0c00404","","","0.71073","MoKα","","0.0566","0.0454","","","0.1163","0.1246","","","","","","1.053","","","","has coordinates,has disorder","257015","2020-10-21","18:00:00",""
"4517429","5.166","","13.624","","24.035","","90","","95.88","","90","","1682.72","","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N O -","- C20 H17 Br N O -","- C80 H68 Br4 N4 O4 -","4","2","","Lemay, Jean-Christian; Dong, Yi; Albert, Vincent; Inouye, Monica; Groves, Michael N.; Boukouvalas, John; McBreen, Peter H.","Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group","ACS Catalysis","2020","","","3034","3041","10.1021/acscatal.9b04682","","","0.71073","MoKα","","0.0614","0.0478","","","0.1178","0.1277","","","","","","1.039","","","","has coordinates","257039","2020-10-21","18:00:00",""
"4517431","12.4934","0.0003","24.7612","0.0006","13.0442","0.0003","90","","95.7511","0.0013","90","","4014.93","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl F3 N7 O3 S Zn -","- C37 H51 Cl F3 N7 O3 S Zn -","- C148 H204 Cl4 F12 N28 O12 S4 Zn4 -","4","1","","Drummond, Michael J.; Miller, Tabitha J.; Ford, Courtney L.; Fout, Alison R.","Catalytic Perchlorate Reduction Using Iron: Mechanistic Insights and Improved Catalyst Turnover","ACS Catalysis","2020","","","3175","3182","10.1021/acscatal.9b05029","","","0.71073","MoKα","","0.0684","0.0434","","","0.0821","0.0917","","","","","","1.034","","","","has coordinates,has disorder","257016","2020-10-21","18:00:00",""
"4517435","18.4403","0.0012","25.068","0.0017","25.5947","0.0017","90","","90","","90","","11831.4","1.4","110.15","","110.15","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C376 H352 B4 Br8 Co4 F96 N24 O32 S8 -","4","1","","Kabes, Connor Q.; Maximuck, William J.; Ghosh, Subrata K.; Kumar, Anil; Bhuvanesh, Nattamai; Gladysz, John A.","Chiral Tricationic Tris(1,2-diphenylethylenediamine) Cobalt(III) Hydrogen Bond Donor Catalysts with Defined Carbon/Metal Configurations; Matched/Mismatched Effects upon Enantioselectivities with Enantiomeric Chiral Counter Anions","ACS Catalysis","2020","","","3249","3263","10.1021/acscatal.9b05496","","","0.8857","","","0.0777","0.0572","","","0.1477","0.1593","","","","","","1.016","","","","has coordinates","257022","2020-10-21","18:00:00",""
"4517436","6.2697","0.0003","10.8812","0.0005","27.9823","0.0013","90","","90","","90","","1909","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 B F3 N O4 -","- C18 H23 B F3 N O4 -","- C72 H92 B4 F12 N4 O16 -","4","1","","Fan, Dongyang; Zhang, Jian; Hu, Yanhua; Zhang, Zhenfeng; Gridnev, Ilya D.; Zhang, Wanbin","Asymmetric Hydrogenation of α-Boryl Enamides Enabled by Nonbonding Interactions","ACS Catalysis","2020","","","3232","3240","10.1021/acscatal.9b04543","","","1.54178","CuKα","","0.0457","0.0432","","","0.1148","0.118","","","","","","1.029","","","","has coordinates","257023","2020-10-21","18:00:00",""
"4517437","8.3309","0.0019","6.6556","0.0018","10.916","0.003","90","","96.337","0.008","90","","601.6","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C28 H30 N2 O2 S2 -","2","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Welin, Eric R.; Daiger, Martin T.; Grünanger, Christian U.; Bartberger, Michael D.; Virgil, Scott C.; Stoltz, Brian M.","Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of 1,3-Disubstituted Isoquinolines","ACS Catalysis","2020","","","3241","3248","10.1021/acscatal.0c00211","","","0.71073","MoKα","","0.0484","0.0383","","","0.0909","0.096","","","","","","1.058","","","","has coordinates,has disorder","257024","2020-10-21","18:00:00",""
"4517439","11.3197","0.0003","15.6008","0.0004","16.353","0.0005","90","","102.492","0.0014","90","","2819.51","0.14","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C152 H112 O24 -","8","2","","Rajesh, U. Chinna; Losovyj, Yaroslav; Chen, Chun-Hsing; Zaleski, Jeffrey M.","Designing Synergistic Nanocatalysts for Multiple Substrate Activation: Interlattice Ag‒Fe3O4 Hybrid Materials for CO2-Inserted Lactones","ACS Catalysis","2020","","","3349","3359","10.1021/acscatal.9b04260","","","0.71073","MoKα","","0.0667","0.0437","","0.11","0.0971","0.1099","","","","","","0.9862","","","","has coordinates","257030","2020-10-21","18:00:00",""
"4517446","14.4073","0.0005","14.9016","0.0004","16.512","0.0005","104.953","0.001","111.191","0.001","99.539","0.001","3058.53","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_6d","","","- C56 H99 B3 Ir N2 O7 Si2 -","- C56 H99 B3 Ir N2 O7 Si2 -","- C112 H198 B6 Ir2 N4 O14 Si4 -","2","1","","Larsen, Matthew A.; Oeschger, Raphael J.; Hartwig, John F.","Effect of Ligand Structure on the Electron Density and Activity of Iridium Catalysts for the Borylation of Alkanes","ACS Catalysis","2020","","","3415","3424","10.1021/acscatal.0c00152","","","0.71073","MoKα","","0.0441","0.0357","","","0.0769","0.0814","","","","","","1.055","","","","has coordinates,has disorder","257029","2020-10-21","18:00:00",""
"4517447","10.69","0.0005","11.3617","0.0005","11.7062","0.0005","62.2925","0.0014","85.46","0.0017","73.2316","0.0016","1202.7","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","lm1mfm579F(619) - 19MCD00","","","- C43 H48 Cl2 N6 O12 Pd2 S2 -","- C43 H48 Cl2 N6 O12 Pd2 S2 -","- C43 H48 Cl2 N6 O12 Pd2 S2 -","1","0.5","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0553","0.0417","","","0.0704","0.0757","","","","","","1.116","","","","has coordinates,has disorder","256988","2020-10-21","18:00:00",""
"4517448","22.973","0.002","6.9135","0.0007","25.839","0.003","90","","106.258","0.003","90","","3939.7","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O5 S -","- C21 H22 N2 O5 S -","- C168 H176 N16 O40 S8 -","8","1","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0578","0.04","","","0.0883","0.095","","","","","","1.023","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517449","6.5642","0.0009","18.183","0.003","18.879","0.003","89.513","0.007","86.524","0.006","85.366","0.006","2241.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 N4 O5 Pd S -","- C21 H22 N4 O5 Pd S -","- C84 H88 N16 O20 Pd4 S4 -","4","2","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","x-ray","0.71073","MoKα","","0.067","0.0473","","","0.0978","0.1066","","","","","","1.136","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517450","9.0308","0.0005","11.8072","0.0006","11.9867","0.0006","97.855","0.016","105.716","0.017","105.33","0.016","1156.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl2 N3 O Pd -","- C25 H25 Cl2 N3 O Pd -","- C50 H50 Cl4 N6 O2 Pd2 -","2","1","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0326","0.0269","","","0.0593","0.0624","","","","","","1.078","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517455","10.2207","0.0011","11.4378","0.0015","12.3943","0.0012","90","","90","","90","","1448.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","x-ray","0.71073","MoKα","","0.1188","0.0606","","","0.1082","0.1291","","","","","","1.021","","","","has coordinates","248590","2020-10-21","18:00:00",""
"4517456","12.5285","0.0004","16.597","0.0006","14.9439","0.0005","90","","93.876","0.001","90","","3100.26","0.18","120","2","120.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H86 Cl2 N8 O8 -","- C61 H86 Cl2 N8 O8 -","- C122 H172 Cl4 N16 O16 -","2","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","","0.71073","MoKα","","0.077","0.0517","","","0.1089","0.1252","","","","","","1.03","","","","has coordinates,has disorder","248591","2020-10-21","18:00:00",""
"4517457","21.059","0.002","5.9199","0.0006","13.2305","0.0018","90","","99.636","0.005","90","","1626.1","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 -","- C20 H26 -","- C80 H104 -","4","1","","Mato, Mauro; García-Morales, Cristina; Echavarren, Antonio M.","Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes","ACS Catalysis","2020","","","3564","","10.1021/acscatal.0c00006","","","0.71073","MoKα","","0.0877","0.0594","","","0.1429","0.1594","","","","","","1.017","","","","has coordinates","248592","2020-10-21","18:00:00",""
"4517458","25.487","0.005","9.845","0.002","26.272","0.005","90","","110.11","0.03","90","","6190","2","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C288 H300 N12 O48 -","12","6","","Feng, Jiaxu; Huang, You","Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates","ACS Catalysis","2020","","","3541","","10.1021/acscatal.0c00588","","","0.71073","MoKα","","0.1431","0.0534","","","0.1181","0.1606","","","","","","0.944","","","","has coordinates","248593","2020-10-21","18:00:00",""
"4517459","13.199","0.003","17.845","0.004","8.5547","0.0017","90","","98.41","0.03","90","","1993.3","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Feng, Jiaxu; Huang, You","Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates","ACS Catalysis","2020","","","3541","","10.1021/acscatal.0c00588","","","0.71073","MoKα","","0.075","0.0488","","","0.1064","0.1211","","","","","","0.982","","","","has coordinates","248594","2020-10-21","18:00:00",""
"4517461","9.3619","0.0003","10.2474","0.0003","11.0622","0.0003","73.881","0.001","65.949","0.001","83.137","0.001","931","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 F2 N O2 -","- C24 H17 F2 N O2 -","- C48 H34 F4 N2 O4 -","2","1","","Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi","Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade","ACS Catalysis","2020","","","3733","","10.1021/acscatal.9b05360","","","1.54178","CuKα","","0.0451","0.0407","","","0.1349","0.1434","","","","","","1.158","","","","has coordinates","249124","2020-10-21","18:00:00",""
"4517462","17.623","0.01","8.753","0.005","12.749","0.007","90","","99.38","0.008","90","","1940.3","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi","Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade","ACS Catalysis","2020","","","3733","","10.1021/acscatal.9b05360","","","0.71073","MoKα","","0.0646","0.0421","","","0.111","0.1257","","","","","","1.038","","","","has coordinates","249125","2020-10-21","18:00:00",""
"4517476","15.7036","0.0016","13.5822","0.0014","9.9735","0.001","90","","97.264","0.007","90","","2110.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br O -","- C23 H33 Br O -","- C92 H132 Br4 O4 -","4","1","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","","0.71075","MoKα","","","0.0604","","","","0.1311","","","","","","1.035","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517477","9.0497","0.0003","11.0964","0.0005","17.4034","0.0005","80.749","0.003","86.494","0.002","89.645","0.003","1721.66","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Br O -","- C20 H21 Br O -","- C80 H84 Br4 O4 -","4","2","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","x-ray","1.54184","CuKα","","0.0932","0.0868","","","0.2355","0.2403","","","","","","1.083","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517478","14.7609","0.001","16.1284","0.0012","20.1218","0.0014","73.575","0.002","89.177","0.003","66.103","0.004","4173.5","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Gross184b (Woormi)","","","- C93 H27 F30 Fe2 N13 -","- C93 H27 F30 Fe2 N13 -","- C186 H54 F60 Fe4 N26 -","2","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.0841","0.0539","","","0.1564","0.1721","","","","","","0.968","","","","has coordinates,has disorder","249199","2020-10-21","18:00:00",""
"4517479","36.007","0.011","12.107","0.009","18.503","0.005","90","","90.893","0.009","90","","8065","7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gross140 (Woormi)","","","- C51 H27 Co F6 N6 -","- C51 H27 Co F6 N6 -","- C408 H216 Co8 F48 N48 -","8","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.0742","0.0534","","","0.1465","0.1605","","","","","","1.086","","","","has coordinates","249200","2020-10-21","18:00:00",""
"4517480","15.257","0.0004","17.202","0.0005","25.355","0.001","83.153","0.001","79.357","0.001","71.301","0.001","6181.9","0.3","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","Gross143 (Woormi)","","","- C156 H92 Fe4 N16 O2 -","- C156 H92 Fe4 N16 O2 -","- C312 H184 Fe8 N32 O4 -","2","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.1915","0.0913","","","0.1951","0.2375","","","","","","1.012","","","","has coordinates","249201","2020-10-21","18:00:00",""
"4517481","9.6626","0.0011","10.1376","0.0012","11.1294","0.0015","97.909","0.011","105.084","0.011","114.113","0.011","923.2","0.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C42 H48 N8 O2 -","2","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","0.71073","MoKα","","0.0974","0.0683","","","0.1658","0.1834","","","","","","1.06","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517482","10.2367","0.0003","11.4102","0.0004","13.7829","0.0005","109.851","0.003","92.169","0.003","112.466","0.003","1373.04","0.1","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","1.54184","CuKα","","0.0443","0.0405","","","0.1127","0.1177","","","","","","1.023","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517483","15.294","0.0008","15.9747","0.0008","22.8893","0.0012","90","","109.52","","90","","5270.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H58 Co O5 P3 -","- C61 H58 Co O5 P3 -","- C244 H232 Co4 O20 P12 -","4","1","","Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes","ACS Catalysis","2020","","","3881","","10.1021/acscatal.9b05078","","","1.54178","CuKα","","0.0416","0.0382","","","0.1101","0.1138","","","","","","1.043","","","","has coordinates","249230","2020-10-21","18:00:00",""
"4517484","11.1714","0.0003","19.5049","0.0005","22.2984","0.0006","90","","90","","90","","4858.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H43 Co O6 P3 -","- C57 H43 Co O6 P3 -","- C228 H172 Co4 O24 P12 -","4","1","","Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes","ACS Catalysis","2020","","","3881","","10.1021/acscatal.9b05078","","","1.54178","CuKα","","0.07","0.0683","","","0.2013","0.2036","","","","","","1.05","","","","has coordinates","249231","2020-10-21","18:00:00",""
"4517495","7.447","0.0002","14.6245","0.0004","19.8929","0.0005","90","","90","","90","","2166.51","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C108 H136 O12 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.0405","0.0358","","","0.0908","0.0945","","","","","","1.031","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517496","12.2802","0.0006","7.2838","0.0004","37.4807","0.0017","90","","90.803","0.004","90","","3352.2","0.3","180","0.1","180","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C156 H216 O20 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.1091","0.0598","","","0.1074","0.1213","","","","","","1.01","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517497","5.9236","0.0012","13.586","0.003","12.496","0.003","90","","100.7","0.03","90","","988.2","0.4","113.15","","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","","0.71073","MoKα","","0.0631","0.0447","","","0.096","0.1134","","","","","","0.925","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517502","17.846","0.0003","15.0741","0.0002","18.2288","0.0003","90","","94.492","0.001","90","","4888.71","0.13","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 Cl3 N P Pd -","- C20 H37 Cl3 N P Pd -","- C160 H296 Cl24 N8 P8 Pd8 -","8","1","","Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.","Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions","ACS Catalysis","2020","10","7","4127","4135","10.1021/acscatal.0c00221","","x-ray","0.71073","MoKα","","0.0176","0.016","","","0.0393","0.0398","","","","","","1.0368","","","","has coordinates,has disorder","257005","2020-10-21","18:00:00",""
"4517513","16.6366","0.0007","12.7954","0.0006","37.4749","0.0017","90","","101.172","0.002","90","","7826.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H64 B Co F24 P4 -","- C86 H64 B Co F24 P4 -","- C344 H256 B4 Co4 F96 P16 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0421","0.0348","","","0.0881","0.0921","","","","","","1.023","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517514","14.1589","0.0009","17.0352","0.001","24.3773","0.0014","90","","100.025","0.003","90","","5790","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Br3 Co O P4 Zn -","- C58 H60 Br3 Co O P4 Zn -","- C232 H240 Br12 Co4 O4 P16 Zn4 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0537","0.0359","","","0.0867","0.0929","","","","","","1.044","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517519","10.2077","0.0004","19.7705","0.0007","8.1575","0.0003","90","","97.395","0.001","90","","1632.58","0.11","99.93","","99.93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.038","0.0364","","","0.0939","0.0953","","","","","","1.071","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517520","9.0581","0.0012","9.9273","0.0012","10.2645","0.0012","105.947","0.004","96.819","0.004","97.151","0.004","869.2","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0437","0.0409","","","0.1051","0.1077","","","","","","1.036","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517521","8.7963","0.0009","10.354","0.0012","11.5419","0.0014","110.43","0.003","100.373","0.003","101.27","0.004","930.16","0.19","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0469","0.041","","","0.1026","0.1081","","","","","","1.048","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517522","10.0207","0.0015","19.056","0.003","10.3059","0.001","90","","105.173","0.011","90","","1899.4","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H45 F3 N2 O5 P Rh S -","- C39 H45 F3 N2 O5 P Rh S -","- C78 H90 F6 N4 O10 P2 Rh2 S2 -","2","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0333","0.0325","","","0.0876","0.0888","","","","","","1.059","","","","has coordinates,has disorder","257048","2020-10-21","18:00:00",""
"4517523","10.9434","0.0006","10.9434","0.0006","60.442","0.004","90","","90","","90","","7238.4","0.7","295","2","295","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","","","- C35 H40 Cl F3 N2 O5 P Rh S -","- C35 H40 Cl F3 N2 O5 P Rh S -","- C280 H320 Cl8 F24 N16 O40 P8 Rh8 S8 -","8","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0264","0.0256","","","0.0683","0.0692","","","","","","0.996","","","","has coordinates","257048","2020-10-21","18:00:00",""
"4517527","8.43","0.0001","11.6177","0.0001","10.918","0.0001","90","","108.357","0.001","90","","1014.87","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 F5 N2 -","- C25 H19 F5 N2 -","- C50 H38 F10 N4 -","2","1","","Li, Jiuling; Zhang, Dan; Chen, Jianghui; Ma, Chaoqun; Hu, Wenhao","Enantioselective Synthesis of Fluoroalkyl-Substituted syn-Diamines by the Asymmetric gem-Difunctionalization of 2,2,2-Trifluorodiazoethane","ACS Catalysis","2020","","","4559","4565","10.1021/acscatal.0c00972","","x-ray","1.54184","CuKα","","0.032","0.0317","","","0.0855","0.0857","","","","","","1.037","","","","has coordinates","257057","2020-10-21","18:00:00",""
"4517528","11.8848","0.0003","19.0951","0.0004","17.618","0.0004","90","","105.834","0.003","90","","3846.55","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N Ni P2 -","- C42 H64 N Ni P2 -","- C168 H256 N4 Ni4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0977","0.0689","","","0.1747","0.193","","","","","","1.044","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517529","11.7655","0.0001","14.098","0.0001","22.4255","0.0001","90","","93.047","0.001","90","","3714.46","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 Ni P2 S -","- C40 H64 Ni P2 S -","- C160 H256 Ni4 P8 S4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0311","0.0296","","","0.0801","0.0811","","","","","","1.032","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517530","12.7568","0.0002","12.7744","0.0002","17.1688","0.0003","73.619","0.002","89.592","0.001","75.811","0.002","2596.58","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H96 Ni P4 -","- C52 H96 Ni P4 -","- C104 H192 Ni2 P8 -","2","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0728","0.0655","","","0.1774","0.1854","","","","","","1.03","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517531","12.2203","0.0001","18.687","0.0001","15.2866","0.0001","90","","99.052","0.001","90","","3447.38","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Br2 Ni P2 -","- C33 H56 Br2 Ni P2 -","- C132 H224 Br8 Ni4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0539","0.0515","","","0.1362","0.1379","","","","","","1.066","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517532","14.4888","0.0002","5.6004","0.0001","15.206","0.0002","90","","109.454","0.002","90","","1163.42","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0473","0.0409","","","0.1154","0.1203","","","","","","1.082","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517533","10.5652","0.0001","22.4696","0.0001","15.3099","0.0001","90","","105.292","0.001","90","","3505.82","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 Br Ni O P2 -","- C36 H61 Br Ni O P2 -","- C144 H244 Br4 Ni4 O4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0272","0.0239","","","0.0608","0.0622","","","","","","1.051","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517534","10.6205","0.0001","8.92","0.0001","11.9761","0.0001","90","","97.617","0.001","90","","1124.54","0.019","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N -","- C14 H19 N -","- C56 H76 N4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0449","0.0411","","","0.1157","0.119","","","","","","1.075","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517536","9.3825","0.0006","10.3799","0.0006","11.1183","0.0003","76.894","0.004","89.918","0.004","73.255","0.005","1007.51","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F3 N2 Ni -","- C22 H19 Br F3 N2 Ni -","- C44 H38 Br2 F6 N4 Ni2 -","2","1","","Rand, Alexander W.; Yin, Hongfei; Xu, Liang; Giacoboni, Jessica; Martin-Montero, Raul; Romano, Ciro; Montgomery, John; Martin, Ruben","Dual Catalytic Platform for Enabling sp3 α C‒H Arylation and Alkylation of Benzamides","ACS Catalysis","2020","","","4671","","10.1021/acscatal.0c01318","","","0.7107","MoKα","","0.0777","0.0455","","","0.1031","0.1112","","","","","","0.919","","","","has coordinates","249964","2020-10-21","18:00:00",""
"4517537","15.0776","0.0002","6.6335","0.0001","21.5511","0.0003","90","","102.6","0.001","90","","2103.57","0.05","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 O2 -","- C22 H34 B2 O2 -","- C88 H136 B8 O8 -","4","1","","Docherty, Jamie H.; Nicholson, Kieran; Dominey, Andrew P.; Thomas, Stephen P.","A Boron‒Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes","ACS Catalysis","2020","","","4686","","10.1021/acscatal.0c00869","","x-ray","1.54184","CuKα","","0.0744","0.0664","","","0.179","0.188","","","","","","1.033","","","","has coordinates,has disorder","249965","2020-10-21","18:00:00",""
"4517546","17.7721","0.0008","28.9182","0.0012","23.5633","0.001","90","","90.112","0.002","90","","12110","0.9","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84 H184 N3 O37 Sb Si3 Ti W9 -","- C84 H184 N3 O37 Sb Si3 Ti W9 -","- C336 H736 N12 O148 Sb4 Si12 Ti4 W36 -","4","1","","Solé-Daura, Albert; Zhang, Teng; Fouilloux, Hugo; Robert, Carine; Thomas, Christophe M.; Chamoreau, Lise-Marie; Carbó, Jorge J.; Proust, Anna; Guillemot, Geoffroy; Poblet, Josep M.","Catalyst Design for Alkene Epoxidation by Molecular Analogues of Heterogeneous Titanium-Silicalite Catalysts","ACS Catalysis","2020","","","4737","","10.1021/acscatal.9b05147","","","0.71073","MoKα","","0.0824","0.0571","","","0.1143","0.1341","","","","","","1.1","","","","has coordinates","250001","2020-10-21","18:00:00",""
"4517547","15.249","0.0008","6.1775","0.0003","16.2653","0.0009","90","","113.939","0.002","90","","1400.4","0.13","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","2","","Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng","Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid","ACS Catalysis","2020","10","8","4786","4790","10.1021/acscatal.0c00610","","","1.34139","GaKα","","0.0877","0.0652","","","0.1546","0.1739","","","","","","1.025","","","","has coordinates","256990","2020-10-21","18:00:00",""
"4517552","10.081","0.0006","26.6065","0.0012","14.0765","0.0007","90","","105.018","0.003","90","","3646.6","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 Cl4 N3 O Ru S -","- C37 H43 Cl4 N3 O Ru S -","- C148 H172 Cl16 N12 O4 Ru4 S4 -","4","1","","Segalovich-Gerendash, Gal; Rozenberg, Illya; Alassad, Nebal; Nechmad, Noy B.; Goldberg, Israel; Kozuch, Sebastian; Lemcoff, N. Gabriel","Imposing Latency in Ruthenium Sulfoxide-Chelated Benzylidenes: Expanding Opportunities for Thermal and Photoactivation in Olefin Metathesis","ACS Catalysis","2020","","","4827","","10.1021/acscatal.0c00676","","","0.71073","MoKα","","0.0472","0.0339","","","0.0734","0.08","","","","","","1.034","","","","has coordinates","250505","2020-10-21","18:00:00",""
"4517553","12.4359","0.0013","16.0865","0.0007","26.638","0.002","90","","98.824","0.009","90","","5265.9","0.7","100.15","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42.65 H53 Ag Cl5.29 I N6 O8.35 S -","- C42.649 H53 Ag Cl5.298 I N6 O8.351 S -","- C170.596 H212 Ag4 Cl21.192 I4 N24 O33.404 S4 -","4","1","","Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G.","Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst","ACS Catalysis","2020","","","4820","","10.1021/acscatal.0c00065","","x-ray","0.41328","","","0.1196","0.1086","","","0.2771","0.2854","","","","","","1.094","","","","has coordinates,has disorder","250506","2020-10-21","18:00:00",""
"4517554","20.4684","0.0004","13.4202","0.0002","15.4089","0.0002","90","","90","","90","","4232.67","0.12","99.96","0.14","99.96","0.14","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H47 Ag Cl2 N5 O8 S2 -","- C40 H47 Ag Cl2 N5 O8 S2 -","- C160 H188 Ag4 Cl8 N20 O32 S8 -","4","1","","Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G.","Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst","ACS Catalysis","2020","","","4820","","10.1021/acscatal.0c00065","","x-ray","1.54184","CuKα","","0.0577","0.0541","","","0.1339","0.138","","","","","","1.022","","","","has coordinates,has disorder","250507","2020-10-21","18:00:00",""
"4517568","31.3169","0.0009","13.0613","0.0003","7.9634","0.0002","90","","90","","90","","3257.34","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H14 Cl I N2 O2 -","- C17 H14 Cl I N2 O2 -","- C136 H112 Cl8 I8 N16 O16 -","8","1","","Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong","Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization","ACS Catalysis","2020","10","9","4983","4989","10.1021/acscatal.0c01209","","x-ray","0.71073","MoKα","","0.0302","0.0233","","","0.0505","0.0525","","","","","","1.025","","","","has coordinates","257010","2020-10-21","18:00:00",""
"4517571","8.0634","0.0002","19.6046","0.0006","12.6297","0.0004","90","","93.722","0.003","90","","1992.29","0.1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl Ir N2 O -","- C22 H26 Cl Ir N2 O -","- C88 H104 Cl4 Ir4 N8 O4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","0.71073","MoKα","","0.0416","0.0344","","","0.0839","0.0867","","","","","","1.088","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517572","20.4075","0.0004","8.0569","0.0002","14.2212","0.0003","90","","103.892","0.002","90","","2269.87","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O2 Si -","- C23 H32 N2 O2 Si -","- C92 H128 N8 O8 Si4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0954","0.0874","","","0.2409","0.2485","","","","","","1.083","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517573","8.2563","0.0005","8.5661","0.0004","19.6108","0.0011","78.098","0.004","89.653","0.005","71.445","0.005","1283.94","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 N2 O3 S Si -","- C27 H36 N2 O3 S Si -","- C54 H72 N4 O6 S2 Si2 -","2","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0719","0.0647","","","0.1747","0.1829","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517574","43.3006","0.0008","12.9147","0.0002","24.7725","0.0004","90","","103.997","0.0017","90","","13441.8","0.4","123","","123","","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C65 H59 B Cl F24 Ir N2 O Si -","- C65 H59 B Cl F24 Ir N2 O Si -","- C520 H472 B8 Cl8 F192 Ir8 N16 O8 Si8 -","8","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0443","0.0428","","","0.1168","0.118","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517575","20.6873","0.0011","7.8511","0.0004","26.1279","0.0012","90","","98.161","0.004","90","","4200.7","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 O -","- C23 H10 Cl Ir N2 O -","- C184 H80 Cl8 Ir8 N16 O8 -","8","2","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.1088","0.1024","","","0.2379","0.2412","","","","","","1.094","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517576","7.4602","0.0008","7.7802","0.0009","14.1269","0.0015","92.011","0.004","102.586","0.004","97.486","0.004","791.72","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C36 H28 N4 O10 -","2","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0772","0.0546","","","0.1148","0.1262","","","","","","1.03","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517577","11.9493","0.0017","6.9494","0.0009","17.493","0.003","90","","104.384","0.005","90","","1407.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br Cl3 N O2 -","- C12 H9 Br Cl3 N O2 -","- C48 H36 Br4 Cl12 N4 O8 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0558","0.0449","","","0.1141","0.1258","","","","","","1.039","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517578","7.5628","0.0017","16.969","0.004","11.191","0.002","90","","105.563","0.0019","90","","1383.5","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.047","0.0382","","","0.0928","0.1","","","","","","1.041","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517579","7.4538","0.0003","16.3766","0.0007","12.0863","0.0005","90","","106.556","0.002","90","","1414.18","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O3 -","- C16 H11 Cl N2 O3 -","- C64 H44 Cl4 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.054","0.0397","","","0.0943","0.1036","","","","","","1.028","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517580","8.6223","0.0017","10.073","0.002","11.48","0.002","85","0.03","71.73","0.03","76.75","0.03","921.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Br N2 -","- C23 H19 Br N2 -","- C46 H38 Br2 N4 -","2","1","","Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min","Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling","ACS Catalysis","2020","","","5243","","10.1021/acscatal.0c00394","","","0.71073","MoKα","","0.119","0.0883","","","0.2042","0.225","","","","","","1.003","","","","has coordinates","250883","2020-10-21","18:00:00",""
"4517581","7.4417","0.0015","9.5742","0.0019","13.391","0.003","74.82","0.03","87.16","0.03","74.55","0.03","887.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C46 H40 N4 -","2","1","","Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min","Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling","ACS Catalysis","2020","","","5243","","10.1021/acscatal.0c00394","","","0.71073","MoKα","","0.115","0.0641","","","0.1513","0.1935","","","","","","1.018","","","","has coordinates","250884","2020-10-21","18:00:00",""
"4517582","11.029","0.0005","13.8947","0.0007","23.635","0.0009","90","","102.05","0.002","90","","3542.1","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Au B F4 N2 -","- C31 H46 Au B F4 N2 -","- C124 H184 Au4 B4 F16 N8 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.031","0.0222","","","0.0468","0.0492","","","","","","1.048","","","","has coordinates","250885","2020-10-21","18:00:00",""
"4517583","5.2585","0.0018","15.779","0.003","18.526","0.004","90","","95.843","0.014","90","","1529.2","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.068","0.0415","","","0.0837","0.0925","","","","","","1.019","","","","has coordinates","250886","2020-10-21","18:00:00",""
"4517584","15.2805","0.0009","18.4692","0.0012","20.3195","0.0013","78.445","0.001","80.937","0.001","82.219","0.001","5516.1","0.6","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H47 Au B F20 N -","- C62 H47 Au B F20 N -","- C248 H188 Au4 B4 F80 N4 -","4","2","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.0412","0.0263","","","0.0555","0.0615","","","","","","1.043","","","","has coordinates,has disorder","250887","2020-10-21","18:00:00",""
"4517585","17.9392","0.0011","18.2892","0.001","17.3878","0.001","90","","118.402","0.002","90","","5018.1","0.5","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H78 Au B F4 N2 -","- C56 H78 Au B F4 N2 -","- C224 H312 Au4 B4 F16 N8 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.031","0.0188","","","0.0427","0.0476","","","","","","1.04","","","","has coordinates,has disorder","250888","2020-10-21","18:00:00",""
"4517598","7.7639","0.0011","9.7745","0.0015","16.044","0.003","90.123","0.007","96.248","0.006","112.826","0.006","1114.2","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","1375_diff_tol","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C46 H56 N4 O4 S2 -","2","2","","Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José","Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation","ACS Catalysis","2020","10","9","5335","5346","10.1021/acscatal.0c01413","","","0.71073","MoKα","","0.1243","0.0517","","","0.1085","0.143","","","","","","1.017","","","","has coordinates","257011","2020-10-21","18:00:00",""
"4517604","10.0412","0.0004","15.8623","0.0006","15.2487","0.0005","90","","91.963","0.004","90","","2427.33","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Au Cl P -","- C26 H39 Au Cl P -","- C104 H156 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0223","0.0185","","","0.0387","0.0399","","","","","","1.043","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517605","8.8317","0.0004","22.6453","0.0009","9.2451","0.0006","90","","106.967","0.006","90","","1768.51","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 F3 O3 P S -","- C13 H28 F3 O3 P S -","- C52 H112 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0866","0.0823","","","0.2221","0.2282","","","","","","1.046","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517606","7.362","0.0002","16.8285","0.0003","25.1572","0.0005","90","","90","","90","","3116.76","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 F3 O3 P S -","- C31 H52 F3 O3 P S -","- C124 H208 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0692","0.0666","","","0.1796","0.1837","","","","","","1.041","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517607","9.5","0.0002","10.6274","0.0002","18.6029","0.0004","90","","100.595","0.002","90","","1846.13","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 F3 O3 P S -","- C15 H28 F3 O3 P S -","- C60 H112 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0574","0.0522","","","0.1293","0.1341","","","","","","1.04","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517608","11.9313","0.0002","15.6446","0.0002","15.2881","0.0002","90","","109.268","0.002","90","","2693.84","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Au Cl P -","- C32 H39 Au Cl P -","- C128 H156 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0587","0.0344","","","0.0687","0.0717","","","","","","0.923","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517609","10.1139","0.0002","12.6246","0.0003","13.5249","0.0003","111.882","0.002","109.918","0.002","96.579","0.002","1447.74","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H39 P -","- C34 H39 P -","- C68 H78 P2 -","2","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0435","0.0381","","","0.1005","0.1057","","","","","","1.043","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517610","10.66","0.0003","11.355","0.0003","23.7632","0.0007","90","","100.803","0.003","90","","2825.42","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Au Cl P -","- C30 H47 Au Cl P -","- C120 H188 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0619","0.0371","","","0.0566","0.0626","","","","","","1.116","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517611","11.1508","0.0002","18.5177","0.0004","21.1099","0.0005","90","","100.488","0.002","90","","4286.1","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 F3 O3 P S -","- C21 H32 F3 O3 P S -","- C168 H256 F24 O24 P8 S8 -","8","2","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0746","0.0642","","","0.1644","0.1749","","","","","","1.039","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517612","8.7107","0.0002","9.9662","0.0003","25.5485","0.0006","90","","96.659","0.002","90","","2202.97","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31.22 Au Cl O0.11 P -","- C24 H31 Au Cl O0.11 P -","- C96 H124 Au4 Cl4 O0.44 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0208","0.0168","","","0.0322","0.0336","","","","","","1.033","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517613","11.5515","0.0002","18.5889","0.0002","17.7571","0.0002","90","","99.907","0.001","90","","3756.12","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.9 H35.8 Cl1.8 F3 O3 P S -","- C40.9 H35.8 Cl1.8 F3 O3 P S -","- C163.6 H143.2 Cl7.2 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0726","0.0701","","","0.1794","0.1818","","","","","","1.026","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517614","10.0872","0.0003","14.0744","0.0006","16.7016","0.0005","78.85","0.003","81.86","0.002","78.924","0.003","2269.59","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H68 Au2 Cl2 P2 -","- C47 H68 Au2 Cl2 P2 -","- C94 H136 Au4 Cl4 P4 -","2","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0462","0.0285","","","0.0483","0.0539","","","","","","1.034","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517615","10.0134","0.0002","14.7285","0.0003","15.0955","0.0003","90","","92.029","0.002","90","","2224.92","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Au Cl P -","- C24 H35 Au Cl P -","- C96 H140 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0355","0.0249","","","0.0467","0.0506","","","","","","1.054","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517616","17.478","0.0003","10.4898","0.0002","17.7113","0.0004","90","","99.9348","0.0018","90","","3198.51","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 F3 O3 P S -","- C11 H24 F3 O3 P S -","- C88 H192 F24 O24 P8 S8 -","8","2","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0388","0.0326","","","0.0852","0.0902","","","","","","1.02","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4517617","10.7821","0.0003","20.369","0.0004","11.1066","0.0003","90","","106.794","0.003","90","","2335.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Au Cl P -","- C26 H35 Au Cl P -","- C104 H140 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0188","0.0177","","","0.0428","0.0433","","","","","","1.081","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517618","19.023","0.004","8.5687","0.0017","21.327","0.004","90","","113.37","0.03","90","","3191.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 N3 O2 P Ru -","- C33 H46 N3 O2 P Ru -","- C132 H184 N12 O8 P4 Ru4 -","4","1","","Kar, Sayan; Rauch, Michael; Kumar, Amit; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Selective Room-Temperature Hydrogenation of Amides to Amines and Alcohols Catalyzed by a Ruthenium Pincer Complex and Mechanistic Insight","ACS Catalysis","2020","","","5511","5515","10.1021/acscatal.0c01406","","","0.71073","MoKα","","0.0465","0.0343","","","0.0806","0.0868","","","","","","1.09","","","","has coordinates","257049","2020-10-21","18:00:00",""
"4517624","7.9914","0.0002","19.2773","0.0006","12.1358","0.0003","90","","90.712","0.002","90","","1869.41","0.09","292.8","0.4","292.8","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","2","","Zhang, Hongkui; Jiang, Chunhui; Tan, Jian-Ping; Hu, Hui-Lin; Chen, Yayun; Ren, Xiaoyu; Zhang, Hong-Su; Wang, Tianli","Highly Enantioselective Construction of Fully Substituted Stereocenters Enabled by In Situ Phosphonium-Containing Organocatalysis","ACS Catalysis","2020","","","5698","5706","10.1021/acscatal.0c01079","","x-ray","1.54184","CuKα","","0.0552","0.0534","","","0.1395","0.1434","","","","","","1.051","","","","has coordinates","257034","2020-10-21","18:00:00",""
"4517639","13.5688","0.0014","11.1801","0.001","11.1208","0.001","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C20 H32 -","- C20 H32 -","- C80 H128 -","4","1","","Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying","Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts","ACS Catalysis","2020","10","10","5846","5851","10.1021/acscatal.0c01575","","","1.54184","CuKα","","0.0756","0.053","","","0.1274","0.1488","","","","","","1.026","","","","has coordinates","256989","2020-10-21","18:00:00",""
"4517640","6.6642","0.0004","7.7286","0.0005","15.5866","0.001","90","","95.532","0.002","90","","799.05","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C38 H36 Br2 N2 O2 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0307","0.0263","","","0.0529","0.054","","","","","","0.998","","","","has coordinates","251749","2020-10-21","18:00:00",""
"4517641","6.4745","0.0005","6.9054","0.0005","18.0777","0.0014","90","","99.293","0.002","90","","797.63","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C38 H32 Br2 N2 O4 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0229","0.0217","","","0.0518","0.0661","","","","","","1.09","","","","has coordinates","251750","2020-10-21","18:00:00",""
"4517672","13.7862","0.0002","21.4855","0.0003","21.9569","0.0003","90","","94.382","0.001","90","","6484.7","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H105 Fe2 N5 -","- C67 H105 Fe2 N5 -","- C268 H420 Fe8 N20 -","4","1","","Gasperini, Danila; King, Andrew K.; Coles, Nathan T.; Mahon, Mary F.; Webster, Ruth L.","Seeking Heteroatom-Rich Compounds: Synthetic and Mechanistic Studies into Iron Catalyzed Dehydrocoupling of Silanes","ACS Catalysis","2020","","","6102","6112","10.1021/acscatal.0c01440","","x-ray","1.54184","CuKα","","0.0571","0.0416","","","0.0971","0.1039","","","","","","1.016","","","","has coordinates,has disorder","257017","2020-10-21","18:00:00",""
"4517677","11.20707","0.0001","5.82419","0.00004","12.84587","0.00011","90","","104.996","0.0009","90","","809.923","0.012","100.3","0.6","100.3","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.022","0.0214","","","0.0551","0.0554","","","","","","1.0592","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517678","5.76988","0.00007","11.91662","0.00014","21.9056","0.0002","90","","90","","90","","1506.17","0.03","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0665","0.0667","","","","","","1.0842","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517689","14.47472","0.00015","19.26","0.0002","23.9417","0.0003","107.115","0.001","90.4073","0.0008","98.3956","0.0009","6301.75","0.13","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C66 H50 B F24 Ir P2 -","- C66 H50 B F24 Ir P2 -","- C264 H200 B4 F96 Ir4 P8 -","4","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0331","0.0296","","","0.0692","0.0713","","","","","","1.018","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517690","12.17636","0.00016","38.6268","0.0005","12.77708","0.00018","90","","100.256","0.0013","90","","5913.47","0.14","100.4","0.8","100.4","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H51 B F24 Ir O0.5 P2 -","- C58 H51 B F24 Ir O0.5 P2 -","- C232 H204 B4 F96 Ir4 O2 P8 -","4","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0391","0.0358","","","0.0689","0.07","","","","","","1.042","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517691","12.9847","0.0002","16.3076","0.0003","19.9591","0.0003","95.5387","0.0014","104.592","0.0014","92.1533","0.0014","4062.5","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 B F24 Ir P2 -","- C88 H78 B F24 Ir P2 -","- C176 H156 B2 F48 Ir2 P4 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0345","0.0293","","","0.0606","0.0628","","","","","","1.02","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517692","13.0737","0.0002","23.7759","0.0003","28.1916","0.0004","90","","99.78","0.001","90","","8635.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H60 B F42 Ir P2 -","- C88 H60 B F42 Ir P2 -","- C352 H240 B4 F168 Ir4 P8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0653","0.0566","","","0.1202","0.1239","","","","","","1.136","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517693","18.33896","0.00013","13.16861","0.00012","38.4041","0.0003","90","","91.6412","0.0006","90","","9270.73","0.13","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H44 B Cl2 F60 Ir P2 -","- C89 H44 B Cl2 F60 Ir P2 -","- C356 H176 B4 Cl8 F240 Ir4 P8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0473","0.0409","","","0.0827","0.0852","","","","","","1.103","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517694","42.4084","0.0004","13.6051","0.0001","7.6568","0.0001","90","","90","","90","","4417.75","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H44 O2 -","- C25 H44 O2 -","- C200 H352 O16 -","8","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0857","0.0871","","","","","","1.048","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517695","12.55791","0.00014","11.2147","0.0001","14.01011","0.00016","90","","107.532","0.0012","90","","1881.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H64 O3 Si -","- C42 H64 O3 Si -","- C84 H128 O6 Si2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0353","0.0322","","","0.0754","0.077","","","","","","1.057","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517696","12.21766","0.00011","7.39922","0.00009","12.74257","0.00013","90","","95.6028","0.0009","90","","1146.44","0.02","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H44 O3 -","- C25 H44 O3 -","- C50 H88 O6 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0345","0.0321","","","0.0807","0.0828","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517697","7.6128","0.0002","9.7121","0.0003","87.346","0.002","90","","90.272","0.003","90","","6458","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C24 H42 O2 -","- C24 H42 O2 -","- C288 H504 O24 -","12","3","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0589","0.0476","","","0.1143","0.1275","","","","","","1.057","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517698","7.7735","0.0001","12.2996","0.0001","16.9155","0.0001","90","","90","","90","","1617.31","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0321","0.0307","","","0.0792","0.0804","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517699","11.88006","0.00007","21.74657","0.00012","14.12314","0.00009","90","","97.1277","0.0006","90","","3620.52","0.04","99.97","0.1","99.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Ir P2 Si -","- C42 H49 Ir P2 Si -","- C168 H196 Ir4 P8 Si4 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0195","0.0188","","","0.0462","0.0465","","","","","","1.044","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517700","12.3828","0.0003","15.2107","0.0005","16.6665","0.0005","64.281","0.003","83.752","0.002","70.114","0.003","2656.74","0.16","100.1","0.6","100.1","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C48 H23 F36 Ir P2 -","- C48 H23 F36 Ir P2 -","- C96 H46 F72 Ir2 P4 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0605","0.0433","","","0.1008","0.1119","","","","","","1.027","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517701","13.9408","0.0004","14.1616","0.0004","16.2996","0.0005","102.527","0.003","94.566","0.003","101.595","0.003","3051.57","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H37 F36 Ir P2 Si -","- C54 H37 F36 Ir P2 Si -","- C108 H74 F72 Ir2 P4 Si2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.045","0.0373","","","0.0868","0.0912","","","","","","1.036","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517702","9.2013","0.0003","11.6473","0.0003","12.4438","0.0003","62.798","0.003","76.382","0.002","76.134","0.002","1139.24","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 F9 P -","- C24 H18 F9 P -","- C48 H36 F18 P2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0708","0.0653","","","0.1666","0.172","","","","","","1.07","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517706","14.5173","0.0005","22.1551","0.0009","11.8658","0.0004","90","","106.121","0.002","90","","3666.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 In N2 O Si2 -","- C31 H61 In N2 O Si2 -","- C124 H244 In4 N8 O4 Si8 -","4","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0589","0.0446","","","0.0741","0.0771","","","","","","1.24","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517707","16.279","0.003","23.517","0.004","37.715","0.006","90","","97.103","0.002","90","","14328","4","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H59 In N2 O Si2 -","- C31 H59 In N2 O Si2 -","- C496 H944 In16 N32 O16 Si32 -","16","4","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","x-ray","0.71073","MoKα","","0.0952","0.0524","","","0.0859","0.0981","","","","","","1.022","","","","has coordinates","257021","2020-10-21","18:00:00",""
"4517708","13.921","0.0005","16.027","0.0006","26.415","0.0009","91.032","0.001","101.549","0.001","91.773","0.001","5769.7","0.4","90.15","","90.15","","","","","","","","","8","P -1","-P 1","2","","","","- C111 H120 B2 F40 In2 N4 O3 Si2 -","- C111 H120 B2 F40 In2 N4 O3 Si2 -","- C222 H240 B4 F80 In4 N8 O6 Si4 -","2","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0543","0.0359","","","0.0848","0.0936","","","","","","1.031","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517709","14.75","0.007","14.75","0.007","35.67","0.02","90","","90","","90","","7760","7","90","2","90.15","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C31 H60 F6 In N2 O2 P Si -","- C31 H60 F6 In N2 O2 P Si -","- C248 H480 F48 In8 N16 O16 P8 Si8 -","8","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","x-ray","0.71069","MoKα","","0.0304","0.0273","","","0.0581","0.0589","","","","","","1.147","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517710","14.6691","0.0008","25.0259","0.0013","17.6496","0.0009","90","","106.494","0.002","90","","6212.7","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B F20 In N2 O2 Si -","- C62 H64 B F20 In N2 O2 Si -","- C248 H256 B4 F80 In4 N8 O8 Si4 -","4","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0482","0.0381","","","0.0851","0.0913","","","","","","1.058","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517711","12.2672","0.0002","15.04","0.0003","28.7115","0.0006","90","","90","","90","","5297.23","0.18","170","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H42 Cl Ir N P2 S -","- C23 H42 Cl Ir N P2 S -","- C184 H336 Cl8 Ir8 N8 P16 S8 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0409","0.0351","","","0.091","0.0965","","","","","","1.066","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517712","36.27","0.002","7.8548","0.0004","36.2929","0.0017","90","","113.602","0.003","90","","9474.7","0.9","170","2","170.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Ir N O2 P2 -","- C21 H36 Ir N O2 P2 -","- C336 H576 Ir16 N16 O32 P32 -","16","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.1108","0.0708","","","0.1439","0.167","","","","","","1.032","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517713","11.336","0.003","14.13","0.003","14.921","0.004","78.309","0.005","82.053","0.005","89.309","0.005","2317.6","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H35 Ir O P2 -","- C21 H35 Ir O P2 -","- C84 H140 Ir4 O4 P8 -","4","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","0.71073","MoKα","","0.17","0.0602","","","0.0987","0.1337","","","","","","0.923","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517714","13.2206","0.0003","11.3239","0.0002","15.3513","0.0003","90","","97.378","0.001","90","","2279.2","0.08","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Ir N O2 P2 -","- C20 H34 Ir N O2 P2 -","- C80 H136 Ir4 N4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0198","0.0196","","","0.0458","0.0459","","","","","","1.112","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517715","31.9259","0.0006","7.9828","0.0002","20.1715","0.0004","90","","100.614","0.001","90","","5052.91","0.19","170","2","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cl Ir N O P2 -","- C23 H43 Cl Ir N O P2 -","- C184 H344 Cl8 Ir8 N8 O8 P16 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0258","0.0219","","","0.0446","0.046","","","","","","1.107","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517716","8.6225","0.0002","18.5843","0.0004","17.0349","0.0004","90","","90.761","0.001","90","","2729.48","0.11","170","2","170.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Ir O2 P2 -","- C26 H45 Ir O2 P2 -","- C104 H180 Ir4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0722","0.0625","","","0.1633","0.1712","","","","","","1.151","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517717","8.1801","0.0006","17.6065","0.0014","17.9383","0.0014","62.959","0.003","83.152","0.004","82.77","0.004","2277.2","0.3","170","2","169.99","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Ir N O P2 S -","- C20 H34 Ir N O P2 S -","- C80 H136 Ir4 N4 O4 P8 S4 -","4","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0462","0.0432","","","0.1155","0.1182","","","","","","1.044","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517718","19.059","0.013","8.033","0.005","16.181","0.011","90","","92.063","0.011","90","","2476","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 Ir O2 P2 S0.99 -","- C20 H37 Ir O2 P2 S0.99 -","- C80 H148 Ir4 O8 P8 S3.96 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","0.71073","MoKα","","0.1561","0.1095","","","0.2384","0.2608","","","","","","1.162","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517719","13.6088","0.0002","11.1953","0.0002","15.5695","0.0003","90","","100.675","0.001","90","","2331.03","0.07","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Ir N O2 P2 -","- C22 H36 Ir N O2 P2 -","- C88 H144 Ir4 N4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0196","0.0195","","","0.047","0.0471","","","","","","1.154","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517720","29.6785","0.0005","8.0786","0.0001","18.7571","0.0003","90","","101.242","0.001","90","","4410.93","0.12","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 Ir O2 P2 S -","- C19 H31 Ir O2 P2 S -","- C152 H248 Ir8 O16 P16 S8 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.018","0.0168","","","0.0365","0.037","","","","","","1.087","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517721","14.2131","0.0003","14.3576","0.0003","17.1807","0.0004","108.37","0.001","97.894","0.001","91.083","0.001","3288.59","0.13","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 Ir O3 P2 -","- C19 H31 Ir O3 P2 -","- C114 H186 Ir6 O18 P12 -","6","3","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.046","0.0422","","","0.1093","0.1123","","","","","","1.116","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517731","11.8096","0.0004","6.187","0.0002","19.7061","0.0007","90","","105.867","0.002","90","","1384.99","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C64 H74 N2 O6 -","2","1","","Wang, Yaxin; Wang, Nengyong; Zhao, Jianyou; Sun, Minzhi; You, Huichao; Fang, Fang; Liu, Zhong-Quan","Visible-Light-Promoted Site-Specific and Diverse Functionalization of a C(sp3)‒C(sp3) Bond Adjacent to an Arene","ACS Catalysis","2020","","","6603","6612","10.1021/acscatal.0c01495","","","1.54178","CuKα","","0.0414","0.0353","","","0.0916","0.0979","","","","","","1.03","","","","has coordinates","257013","2020-10-21","18:00:00",""
"4517732","7.9594","0.0008","9.7061","0.001","11.5124","0.0012","72.844","0.001","89.113","0.002","80.497","0.001","837.63","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Au Cl O -","- C21 H14 Au Cl O -","- C42 H28 Au2 Cl2 O2 -","2","1","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0251","0.0215","","","0.0667","0.0693","","","","","","0.896","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517733","11.6275","0.0014","12.6651","0.0016","15.1706","0.0019","113.103","0.002","103.226","0.003","99.082","0.003","1922.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Cl2 O -","- C24 H18 Cl2 O -","- C96 H72 Cl8 O4 -","4","2","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0621","0.0439","","","0.1099","0.1212","","","","","","1.033","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517734","20.839","0.004","14.241","0.002","16.555","0.003","90","","98.828","0.003","90","","4854.8","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H17 Au Cl6 O -","- C22.5 H17 Au Cl6 O -","- C180 H136 Au8 Cl48 O8 -","8","1","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0662","0.0461","","","0.143","0.1657","","","","","","0.994","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517770","9.9422","0.0008","6.0314","0.0005","15.453","0.0012","90","","103.236","0.002","90","","902.03","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B2 F6 K2 O4 -","- C12 H18 B2 F6 K2 O4 -","- C24 H36 B4 F12 K4 O8 -","2","1","","Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H.","Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks","ACS Catalysis","2020","10","13","7112","7116","10.1021/acscatal.0c01888","","","0.71073","MoKα","","0.0225","0.0215","","","0.056","0.0565","","","","","","1.054","","","","has coordinates","257001","2020-10-21","18:00:00",""
"4517771","19.1679","0.0007","10.1706","0.0003","23.0399","0.0008","90","","98.625","0.002","90","","4440.8","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Cl N4 O2 Ti -","- C49 H59 Cl N4 O2 Ti -","- C196 H236 Cl4 N16 O8 Ti4 -","4","1","","Hao, Han; Schafer, Laurel L.","Metal‒Ligand Cooperativity in Titanium-Catalyzed Anti-Markovnikov Hydroamination","ACS Catalysis","2020","","","7100","","10.1021/acscatal.0c00491","","","0.71073","MoKα","","0.0883","0.0454","","","0.0955","0.1129","","","","","","1.024","","","","has coordinates","253208","2020-10-21","18:00:00",""
"4517772","8.389","0.003","9.214","0.002","9.659","0.003","102.796","0.014","99.295","0.016","100.694","0.01","699.2","0.4","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0222","0.0214","","","0.0497","0.0502","","","","","","1.057","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517773","10.5631","0.0003","10.5631","0.0003","34.9612","0.0011","90","","90","","90","","3900.9","0.2","170","2","170","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 Br2 Fe N2 O2 -","- C20 H18 Br2 Fe N2 O2 -","- C160 H144 Br16 Fe8 N16 O16 -","8","1","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0458","0.038","","","0.0797","0.083","","","","","","1.031","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517774","5.2215","0.0013","7.9597","0.0019","23.385","0.006","87.72","0.008","86.471","0.008","89.947","0.007","969.3","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C21 H17 Br2 N O2 S -","- C21 H17 Br2 N O2 S -","- C42 H34 Br4 N2 O4 S2 -","2","2","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","","0.71073","MoKα","","0.1","0.0875","","","0.2155","0.228","","","","","","1.032","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517775","12.4627","0.0009","18.1472","0.0012","12.9349","0.0009","90","","93.987","0.003","90","","2918.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C104 H168 Cl16 Ir8 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.1176","0.1097","","","0.2322","0.2356","","","","","","1.28","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517776","5.5584","0.0014","14.559","0.004","27.412","0.007","90","","90","","90","","2218.3","1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 F6 N O4 S -","- C23 H17 F6 N O4 S -","- C92 H68 F24 N4 O16 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0784","0.0663","","","0.1691","0.18","","","","","","1.047","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517777","10.993","0.0005","14.5354","0.0007","12.7588","0.0007","90","","94.905","0.002","90","","2031.23","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Ir O S -","- C24 H27 Ir O S -","- C96 H108 Ir4 O4 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0426","0.0388","","","0.1051","0.1077","","","","","","1.059","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517778","8.3494","0.0005","9.1549","0.0006","9.6175","0.0006","102.865","0.002","98.989","0.002","100.722","0.002","689.02","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0323","0.0313","","","0.086","0.0867","","","","","","1.095","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517779","10.548","0.003","11.96","0.003","13.948","0.003","94.54","0.005","111.21","0.004","115.903","0.004","1415.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin","Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters","ACS Catalysis","2020","10","13","7262","7268","10.1021/acscatal.0c02414","","","0.71073","MoKα","","0.2061","0.1036","","","0.2003","0.2382","","","","","","1.161","","","","has coordinates","257000","2020-10-21","18:00:00",""
"4517796","12.6221","0.0006","20.3106","0.001","22.3941","0.001","90","","90","","90","","5741","0.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C204 H204 F36 N20 O36 P12 Ru4 S12 -","4","1","","Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S.","Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere","ACS Catalysis","2020","10","13","7419","7423","10.1021/acscatal.0c02268","","","0.71073","MoKα","","0.0407","0.0376","","","0.0931","0.095","","","","","","1.074","","","","has coordinates,has disorder","257003","2020-10-21","18:00:00",""
"4517808","11.1012","0.0004","11.5775","0.0005","13.3634","0.0004","89.848","0.003","77.424","0.003","78.168","0.003","1639.11","0.11","150.01","0.14","150.01","0.14","","","","","","","","5","P -1","-P 1","2","","Rh(DPEphos)(CH2Ph)","","- C43 H35 O P2 Rh -","- C43 H35 O P2 Rh -","- C86 H70 O2 P4 Rh2 -","2","1","","Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S.","Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis","ACS Catalysis","2020","","","7443","7448","10.1021/acscatal.0c02211","","x-ray","1.54184","CuKα","","0.042","0.0358","","","0.0861","0.0911","","","","","","1.002","","","","has coordinates,has disorder","257051","2020-10-21","18:00:00",""
"4517809","16.1346","0.0011","10.4118","0.0003","24.8442","0.0014","90","","98.216","0.006","90","","4130.7","0.4","149.99","0.16","149.99","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rh(Xantphos)(CH2Ph)","","- C51.1 H44.1 O P2 Rh -","- C51.1 H44.1 O P2 Rh -","- C204.4 H176.4 O4 P8 Rh4 -","4","1","","Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S.","Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis","ACS Catalysis","2020","","","7443","7448","10.1021/acscatal.0c02211","","x-ray","1.54184","CuKα","","0.1372","0.0994","","","0.2612","0.306","","","","","","1.027","","","","has coordinates,has disorder","257051","2020-10-21","18:00:00",""
"4517813","9.7228","0.0002","15.7107","0.0004","14.334","0.0003","90","","92.744","0.002","90","","2187.04","0.09","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H34 F3 N O3 S Sn -","- C17 H34 F3 N O3 S Sn -","- C68 H136 F12 N4 O12 S4 Sn4 -","4","1","","Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.","Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid","ACS Catalysis","2020","","","7573","7583","10.1021/acscatal.0c02023","","x-ray","0.71073","MoKα","","0.0428","0.0306","","","0.0598","0.0653","","","","","","1.036","","","","has coordinates","257020","2020-10-21","18:00:00",""
"4517814","14.8706","0.0005","15.2083","0.0004","21.9762","0.0006","90","","104.671","0.003","90","","4808","0.3","173","0.14","173","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Al F36 N O4 Sn -","- C32 H34 Al F36 N O4 Sn -","- C128 H136 Al4 F144 N4 O16 Sn4 -","4","1","","Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.","Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid","ACS Catalysis","2020","","","7573","7583","10.1021/acscatal.0c02023","","x-ray","0.71073","MoKα","","0.1081","0.0701","","","0.1745","0.2016","","","","","","1.029","","","","has coordinates","257020","2020-10-21","18:00:00",""
"4517828","15.327","0.003","31.192","0.005","13.692","0.003","90","","94.911","0.003","90","","6522","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 K12 N10 O0 Ru2 Sn18 -","- C10 H20 K12 N10 Ru2 Sn18 -","- C40 H80 K48 N40 Ru8 Sn72 -","4","0.5","","Wang, Yanru; Zhang, Chao; Wang, Xiuyi; Guo, Jinqiu; Sun, Zhong-Ming; Zhang, Hongbo","Site-Selective CO2 Reduction over Highly Dispersed Ru-SnOx Sites Derived from a [Ru@Sn9]6‒ Zintl Cluster","ACS Catalysis","2020","","","7808","","10.1021/acscatal.0c01253","","","0.71073","MoKα","","0.0531","0.0343","","","0.0942","0.1065","","","","","","1.086","","","","has coordinates","253628","2020-10-21","18:00:00",""
"4517829","7.6989","0.0002","5.6085","0.0002","13.528","0.0004","90","","92.652","0.003","90","","583.5","0.03","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O -","- C15 H13 N O -","- C30 H26 N2 O2 -","2","1","","Mao, Ying; Wang, Zehua; Wang, Gang; Zhao, Ran; Kan, Linglong; Pan, Xiaoguang; Liu, Lei","Redox Deracemization of Tertiary Stereocenters Adjacent to an Electron-Withdrawing Group","ACS Catalysis","2020","","","7785","7791","10.1021/acscatal.0c02486","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0827","0.0843","","","","","","1.07","","","","has coordinates","256987","2020-10-21","18:00:00",""
"4517830","14.1589","0.0009","20.1568","0.0013","10.773","0.0006","90","","96.224","0.003","90","","3056.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 Fe2 N2 Si2 -","- C72 H88 Fe2 N2 Si2 -","- C144 H176 Fe4 N4 Si4 -","2","0.5","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.0912","0.0689","","","0.164","0.1755","","","","","","1.064","","","","has coordinates","253630","2020-10-21","18:00:00",""
"4517831","12.131","0.0007","12.86","0.0007","18.9741","0.0011","89.775","0.001","87.91","0.001","85.741","0.001","2949.9","0.3","100","2","99.95","","","","","","","","","6","P -1","-P 1","2","RJW_2_139","","","- C62 H82 Fe2 N2 O Si2 -","- C62 H82 Fe2 N2 O Si2 -","- C124 H164 Fe4 N4 O2 Si4 -","2","1","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.0416","0.0378","","","0.0987","0.1019","","","","","","1.075","","","","has coordinates","253631","2020-10-21","18:00:00",""
"4517832","22.1414","0.0016","11.2865","0.0009","17.5402","0.0014","90","","90","","90","","4383.3","0.6","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H36 Fe N Si -","- C21 H36 Fe N Si -","- C168 H288 Fe8 N8 Si8 -","8","1","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.1522","0.1452","","","0.3275","0.3304","","","","","","1.294","","","","has coordinates","253632","2020-10-21","18:00:00",""
"4517836","8.656","0.0005","14.5247","0.001","14.4235","0.001","90","","95.387","0.003","90","","1805.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cp*Ir(2pyridyl-sulfonamide)nitrate","","","- C15 H20 Ir N3 O5 S -","- C15 H20 Ir N3 O5 S -","- C60 H80 Ir4 N12 O20 S4 -","4","1","","Tensi, Leonardo; Macchioni, Alceo","Extremely Fast NADH-Regeneration Using Phosphonic Acid as Hydride Source and Iridium-pyridine-2-sulfonamidate Catalysts","ACS Catalysis","2020","","","7945","","10.1021/acscatal.0c02261","","","0.71073","Mo-Ka","","0.0223","0.0199","","","0.0488","0.0502","","","","","","1.029","","","","has coordinates","254028","2020-10-21","18:00:00",""
"4517838","18.3983","0.0005","13.9556","0.0003","20.8118","0.0006","90","","109.351","0.003","90","","5041.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H46 O P2 Pd -","- C61 H46 O P2 Pd -","- C244 H184 O4 P8 Pd4 -","4","1","","Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng","Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide","ACS Catalysis","2020","","","7968","","10.1021/acscatal.0c01687","","x-ray","1.54184","CuKα","","0.0655","0.044","","","0.099","0.111","","","","","","0.989","","","","has coordinates","254118","2020-10-21","18:00:00",""
"4517839","10.0446","0.0007","12.2899","0.0007","17.0614","0.0009","76.398","0.005","74.831","0.005","88.404","0.005","1974.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","2","","Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng","Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide","ACS Catalysis","2020","","","7968","","10.1021/acscatal.0c01687","","x-ray","0.71073","MoKα","","0.0687","0.0528","","","0.1257","0.1392","","","","","","1.042","","","","has coordinates,has disorder","254119","2020-10-21","18:00:00",""
"4517848","9.3968","0.0005","9.484","0.0005","11.9025","0.0006","103.496","0.005","93.933","0.004","90.76","0.004","1028.55","0.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O2 Pd -","- C25 H24 N2 O2 Pd -","- C50 H48 N4 O4 Pd2 -","2","1","","Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng","Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study","ACS Catalysis","2020","","","8212","8222","10.1021/acscatal.0c02025","","","0.71073","MoKα","","0.0556","0.0407","","","0.0642","0.0726","","","","","","1.072","","","","has coordinates","257025","2020-10-21","18:00:00",""
"4517849","14.1106","0.001","6.7889","0.0005","20.7976","0.0017","90","","92.295","0.007","90","","1990.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O2 Pd -","- C19 H24 N4 O2 Pd -","- C76 H96 N16 O8 Pd4 -","4","1","","Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng","Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study","ACS Catalysis","2020","","","8212","8222","10.1021/acscatal.0c02025","","","0.71073","MoKα","","0.0572","0.0383","","","0.0777","0.0893","","","","","","1.058","","","","has coordinates","257025","2020-10-21","18:00:00",""
"4517850","6.53867","0.00007","6.85703","0.00006","35.6756","0.0003","90","","90","","90","","1599.55","0.03","140.01","0.13","140.01","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Shou-Guo; Cramer, Nicolai","Asymmetric CpxRh(III)-Catalyzed Acrylic Acid C‒H Functionalization with Allenes Provides Chiral γ-Lactones","ACS Catalysis","2020","","","8231","8236","10.1021/acscatal.0c02430","","x-ray","1.54184","CuKα","","0.0264","0.0256","","","0.0655","0.0663","","","","","","1.055","","","","has coordinates","257045","2020-10-21","18:00:00",""
"4517851","9.2261","0.0003","9.7377","0.0004","22.6198","0.0009","90","","90","","90","","2032.19","0.13","170","2","169.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O -","- C25 H23 F N2 O -","- C100 H92 F4 N8 O4 -","4","1","","Shen, Yang; Shen, Meng-Lan; Wang, Pu-Sheng","Light-Mediated Chiral Phosphate Catalysis for Asymmetric Dicarbofunctionalization of Enamides","ACS Catalysis","2020","","","8247","8253","10.1021/acscatal.0c02660","","","1.34139","GaKα","","0.0427","0.0386","","","0.0925","0.096","","","","","","1.064","","","","has coordinates","257044","2020-10-21","18:00:00",""
"4517857","19.9143","0.001","10.6749","0.0006","20.1936","0.0009","90","","92.357","0.004","90","","4289.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F N3 O2 S -","- C26 H20 F N3 O2 S -","- C208 H160 F8 N24 O16 S8 -","8","1","","Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones","ACS Catalysis","2020","","","8402","8408","10.1021/acscatal.0c02683","","x-ray","0.71073","MoKα","","0.0614","0.0489","","","0.1163","0.1254","","","","","","1.039","","","","has coordinates","257031","2020-10-21","18:00:00",""
"4517858","19.925","0.004","10.806","0.002","20.27","0.004","90","","92.45","0.03","90","","4360.3","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C208 H168 N24 O16 S8 -","8","1","","Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones","ACS Catalysis","2020","","","8402","8408","10.1021/acscatal.0c02683","","","0.71073","MoKα","","0.0525","0.0471","","","0.1234","0.1295","","","","","","1.053","","","","has coordinates","257031","2020-10-21","18:00:00",""
"4517861","9.491","0.0004","9.491","0.0004","27.7364","0.0011","90","","90","","90","","2498.47","0.18","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0199","0.0181","","","0.0426","0.0429","","","","","","1.07","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4517862","9.4877","0.0006","9.4877","0.0006","27.766","0.002","90","","90","","90","","2499.4","0.3","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0186","0.0165","","","0.0375","0.0378","","","","","","1.063","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4517870","19.047","0.005","8.804","0.0013","24.664","0.004","90","","105.975","0.014","90","","3976.2","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3k","6-(4-methylbenzene-1-sulfonyl)-5-[(4-methylphenyl)sulfanyl]hexanoic acid","","- C20 H24 O4 S2 -","- C20 H24 O4 S2 -","- C160 H192 O32 S16 -","8","2","","Gadde, Karthik; Mampuys, Pieter; Guidetti, Andrea; Ching, H. Y. Vincent; Herrebout, Wouter A.; Van Doorslaer, Sabine; Abbaspour Tehrani, Kourosch; Maes, Bert U. W.","Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis","ACS Catalysis","2020","","","8765","8779","10.1021/acscatal.0c02159","","","1.54187","CuKα","","0.0776","0.0611","","","0.1621","0.1863","","","","","","1.066","","","","has coordinates,has disorder","257033","2020-10-21","18:00:00",""
"4517879","17.0512","0.0008","20.0506","0.0009","22.7296","0.001","90","","90","","90","","7770.9","0.6","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H109.5 Cl Cr2 N5.5 O5 -","- C74 H108 Cl Cr2 N5 O5 -","- C296 H432 Cl4 Cr8 N20 O20 -","4","1","","Lipinski, Bryce M.; Walker, Katherine L.; Clayman, Naomi E.; Morris, Lilliana S.; Jugovic, Timothy M. E.; Roessler, Allison G.; Getzler, Yutan D. Y. L.; MacMillan, Samantha N.; Zare, Richard N.; Zimmerman, Paul M.; Waymouth, Robert M.; Coates, Geoffrey W.","Mechanistic Study of Isotactic Poly(propylene oxide) Synthesis using a Tethered Bimetallic Chromium Salen Catalyst","ACS Catalysis","2020","","","8960","8967","10.1021/acscatal.0c02135","","","0.71073","MoKα","","0.0673","0.0511","","","0.0993","0.1047","","","","","","1.026","","","","has coordinates","257019","2020-10-21","18:00:00",""
"4517880","39.4522","0.0006","39.4522","0.0006","16.5041","0.0003","90","","90","","120","","22246.7","0.6","200","2","200","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C44.33 H22 Ni0.44 O17 Zr3 -","- C44 H22 Ni0.44 O17 Zr3 -","- C264 H132 Ni2.64 O102 Zr18 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.0543","0.0502","","","0.1483","0.152","","","","","","1.085","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517881","39.903","0.006","39.903","0.006","12.022","0.002","90","","90","","120","","16577","4","200","2","200.02","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C34 H16 Br2 Ni0.4 O17.3 Zr3 -","- C34 H16 Br2 Ni0.4 O17.3 Zr3 -","- C204 H96 Br12 Ni2.4 O103.8 Zr18 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","","1.54178","CuKα","","0.0607","0.0567","","","0.1802","0.1869","","","","","","1.09","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517882","28.2651","0.0007","28.2651","0.0007","28.2651","0.0007","90","","90","","90","","22581.4","1","200","2","199.98","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10 H7 Ni0.1 O4 Zr0.75 -","- C10 H7 Ni0.1 O4 Zr0.75 -","- C240 H168 Ni2.4 O96 Zr18 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.1675","0.1542","","","0.4908","0.5183","","","","","","2.538","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517883","40.4333","0.0011","40.4333","0.0011","11.4682","0.0005","90","","90","","120","","16236.9","0.9","200","2","200.02","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C34.8 H16 Br2 Hf3 Ni0.44 O16 -","- C34.8 H16 Br2 Hf3 Ni0.44 O16 -","- C208.8 H96 Br12 Hf18 Ni2.64 O96 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.0883","0.0865","","","0.2509","0.2529","","","","","","1.089","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517884","39.601","0.003","39.601","0.003","16.4314","0.0013","90","","90","","120","","22316","3","250","2","250","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C11 H6 Hf0.81 Ni0.16 O4 -","- C11 H6 Hf0.81 Ni0.16 O4 -","- C264 H144 Hf19.44 Ni3.84 O96 -","24","1","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.2239","0.2024","","","0.5301","0.5487","","","","","","2.441","","","","has coordinates","257036","2020-10-21","18:00:00",""
"4517890","7.6233","0.0004","7.8881","0.0004","13.5115","0.0007","90","","91.9018","0.0016","90","","812.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl2 N O -","- C18 H21 Cl2 N O -","- C36 H42 Cl4 N2 O2 -","2","1","","Rong, Zi-Qiang; Yu, Zhaoyuan; Weng, Cheng; Yang, Li-Cheng; Lu, Shenci; Lan, Yu; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols Assisted by Microwave: Stereoconvergent Access to Tetralin- and Indane-Derived Chiral Amines","ACS Catalysis","2020","","","9464","","10.1021/acscatal.0c02468","","","0.71073","MoKα","","0.0259","0.0247","","","0.0644","0.0652","","","","","","1.065","","","","has coordinates","255212","2020-10-21","18:00:00",""
"4517967","14.485","0.003","16.26","0.004","17.548","0.004","84.689","0.003","89.852","0.003","71.719","0.003","3906","1.5","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 B2 Ir N O4 P2 -","- C36 H60 B2 Ir N O4 P2 -","- C144 H240 B8 Ir4 N4 O16 P8 -","4","2","","Foley, Bryan J.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Combined Experimental and Computational Studies of the Mechanism of Dehydrogenative Borylation of Terminal Alkynes Catalyzed by PNP Complexes of Iridium","ACS Catalysis","2020","","","9824","9836","10.1021/acscatal.0c02455","","","0.71073","MoKα","","0.0724","0.0444","","","0.1082","0.1153","","","","","","1.087","","","","has coordinates,has disorder","256986","2020-10-21","18:00:00",""
"4517986","10.734","0.0003","10.815","0.0002","13.738","0.0004","67.142","0.001","85.858","0.001","73.156","0.002","1405.06","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Fe2 N4 O5 -","- C32 H28 Fe2 N4 O5 -","- C64 H56 Fe4 N8 O10 -","2","1","","Provis-Evans, Cei B.; Lau, Samantha; Krewald, Vera; Webster, Ruth L.","Regioselective Alkyne Cyclotrimerization with an In Situ-Generated [Fe(II)H(salen)]·Bpin Catalyst","ACS Catalysis","2020","","","10157","10168","10.1021/acscatal.0c03068","","","0.71073","MoKα","","0.0672","0.0404","","","0.0837","0.0933","","","","","","1.035","","","","has coordinates","257037","2020-10-21","18:00:00",""
"4517987","11.2862","0.0003","9.2093","0.0002","13.1111","0.0003","90","","109.258","0.003","90","","1286.49","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang","Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation","ACS Catalysis","2020","","","10149","10156","10.1021/acscatal.0c01841","","x-ray","1.54184","CuKα","","0.0581","0.0547","","","0.1418","0.1461","","","","","","1.054","","","","has coordinates","257054","2020-10-21","18:00:00",""
"4517988","8.31074","0.00018","13.9007","0.0003","8.8665","0.0002","90","","96.992","0.002","90","","1016.69","0.04","289.9","0.8","289.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang","Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation","ACS Catalysis","2020","","","10149","10156","10.1021/acscatal.0c01841","","x-ray","1.54184","CuKα","","0.0584","0.055","","","0.1432","0.1487","","","","","","1.037","","","","has coordinates","257054","2020-10-21","18:00:00",""
"4517994","14.963","0.003","12.0779","0.0015","28.792","0.005","90","","105.06","","90","","5024.6","1.5","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Si2 -","- C27 H34 Si2 -","- C216 H272 Si16 -","8","1","","Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin","Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes","ACS Catalysis","2020","","","10516","","10.1021/acscatal.0c02522","","","0.71073","MoKα","","0.1276","0.0608","","","0.0973","0.1229","","","","","","0.923","","","","has coordinates","255827","2020-10-21","18:00:00",""
"4517995","11.0772","0.0016","15.556","0.002","14.641","0.002","90","","110.201","0.017","90","","2367.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O2 -","- C30 H28 O2 -","- C120 H112 O8 -","4","1","","Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin","Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes","ACS Catalysis","2020","","","10516","","10.1021/acscatal.0c02522","","","0.71073","MoKα","","0.1171","0.069","","","0.1233","0.143","","","","","","1.054","","","","has coordinates","255828","2020-10-21","18:00:00",""
"4518014","17.1459","0.0006","19.6957","0.0008","21.0108","0.0008","93.42","0.003","112.713","0.003","112.979","0.003","5837.9","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H72 F12 N10 O2 P2 Ru2 -","- C110 H72 F12 N10 O2 P2 Ru2 -","- C220 H144 F24 N20 O4 P4 Ru4 -","2","1","","Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc","Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors","ACS Catalysis","2020","","","10614","","10.1021/acscatal.0c01577","","","0.71073","MoKα","","0.1143","0.0685","","","0.1511","0.1682","","","","","","0.977","","","","has coordinates,has disorder","255897","2020-10-21","18:00:00",""
"4518015","14.2194","0.0003","20.0432","0.0004","26.3213","0.0006","83.352","0.002","79.323","0.002","87.701","0.002","7320.9","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C70.5 H58 F12 N10 O3 P2 Ru2 -","- C70.5 H58 F12 N10 O3 P2 Ru2 -","- C282 H232 F48 N40 O12 P8 Ru8 -","4","2","","Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc","Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors","ACS Catalysis","2020","","","10614","","10.1021/acscatal.0c01577","","","0.71073","MoKα","","0.0637","0.0437","","","0.1028","0.1126","","","","","","1.012","","","","has coordinates,has disorder","255897","2020-10-21","18:00:00",""
"4518016","10.9602","0.0004","14.7542","0.0006","18.1626","0.0007","90","","94.857","0.001","90","","2926.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 S2 -","- C32 H32 N2 O4 S2 -","- C128 H128 N8 O16 S8 -","4","1","","Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin","Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives","ACS Catalysis","2020","","","10627","","10.1021/acscatal.0c02676","","","1.54178","CuKα","","0.0344","0.0328","","","0.0933","0.0998","","","","","","1.094","","","","has coordinates","255898","2020-10-21","18:00:00",""
"4518017","9.95","0.002","10.42","0.002","13.328","0.003","73.734","0.007","83.867","0.006","67.198","0.006","1222.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O4 S2 -","- C26 H28 N2 O4 S2 -","- C52 H56 N4 O8 S4 -","2","1","","Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin","Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives","ACS Catalysis","2020","","","10627","","10.1021/acscatal.0c02676","","","0.71073","MoKα","","0.0336","0.0308","","","0.0808","0.0828","","","","","","1.045","","","","has coordinates","255899","2020-10-21","18:00:00",""
"4518020","9.6954","0.0002","10.1078","0.0004","22.4793","0.0008","97.438","0.003","97.121","0.002","90.238","0.002","2167.11","0.13","100","0.5","100","0.5","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 Br O2 -","- C27 H25 Br O2 -","- C108 H100 Br4 O8 -","4","4","","McLeod, David; Izzo, Joseph A.; Jørgensen, Danny K. B.; Lauridsen, Rune F.; Jørgensen, Karl Anker","Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition","ACS Catalysis","2020","","","10784","","10.1021/acscatal.0c03378","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1109","0.1128","","","","","","1.051","","","","has coordinates","256256","2020-10-21","18:00:00",""
"4518021","14.2489","0.0012","14.2542","0.0012","20.5358","0.0018","84.356","0.001","86.902","0.001","86.242","0.001","4137.1","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H82 B F24 Li Ni O7 P2 -","- C82 H82 B F24 Li Ni O7 P2 -","- C164 H164 B2 F48 Li2 Ni2 O14 P4 -","2","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.0809","0.0706","","","0.1979","0.2086","","","","","","1.03","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518022","13.151","0.003","13.356","0.003","24.585","0.006","86.239","0.002","81.17","0.003","87.895","0.003","4256.3","1.7","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C80.5 H85.6 B F24 K Ni O8 P2 -","- C80.5 H85.6 B F24 K Ni O8 P2 -","- C161 H171.2 B2 F48 K2 Ni2 O16 P4 -","2","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.1246","0.0926","","","0.2612","0.2941","","","","","","1.016","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518023","17.3656","0.0015","23.606","0.002","20.3261","0.0018","90","","103.682","0.001","90","","8095.9","1.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H68 B Cs F24 Ni O7 P2 -","- C76 H68 B Cs F24 Ni O7 P2 -","- C304 H272 B4 Cs4 F96 Ni4 O28 P8 -","4","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.1203","0.1011","","","0.2712","0.2907","","","","","","1.035","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518024","8.9756","0.0004","9.0718","0.0004","11.0372","0.0005","84.016","0.001","85.238","0.001","62.683","0.001","793.5","0.06","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N2 -","- C21 H18 N2 -","- C42 H36 N4 -","2","1","","Wang, Shengdong; Force, Guillaume; Guillot, Régis; Carpentier, Jean-François; Sarazin, Yann; Bour, Christophe; Gandon, Vincent; Lebœuf, David","Lewis Acid/Hexafluoroisopropanol: A Promoter System for Selective ortho-C-Alkylation of Anilines with Deactivated Styrene Derivatives and Unactivated Alkenes","ACS Catalysis","2020","","","10794","","10.1021/acscatal.0c02959","","x-ray","1.54178","CuKα","","0.0346","0.0329","","","0.0827","0.084","","","","","","1.067","","","","has coordinates","256258","2020-10-21","18:00:00",""
"4518037","16.6324","0.0008","12.5786","0.0005","23.5913","0.0012","90","","90.5504","0.0018","90","","4935.4","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O4 S -","- C29 H26 N2 O4 S -","- C232 H208 N16 O32 S8 -","8","2","","De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong","Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition","ACS Catalysis","2020","","","10905","","10.1021/acscatal.0c03014","","","0.71073","MoKα","","0.0579","0.0411","","","0.0952","0.107","","","","","","1.041","","","","has coordinates","256390","2020-10-21","18:00:00",""
"4518038","9.7732","0.0003","22.9861","0.0008","12.4889","0.0004","90","","107.777","0.0011","90","","2671.64","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O5 S -","- C30 H27 Cl N2 O5 S -","- C120 H108 Cl4 N8 O20 S4 -","4","1","","De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong","Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition","ACS Catalysis","2020","","","10905","","10.1021/acscatal.0c03014","","","0.71073","MoKα","","0.0545","0.0446","","","0.1047","0.1097","","","","","","1.061","","","","has coordinates","256391","2020-10-21","18:00:00",""
"4518039","7.25553","0.00003","7.4022","0.00004","47.0222","0.0002","90","","92.058","0.0004","90","","2523.79","0.02","170","0.13","170","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N4 O6 -","- C27 H26 N4 O6 -","- C108 H104 N16 O24 -","4","2","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0929","0.0935","","","","","","1.03","","","","has coordinates,has disorder","256408","2020-10-21","18:00:00",""
"4518040","6.4822","0.0001","15.0713","0.0002","16.8103","0.0002","90","","90","","90","","1642.29","0.04","110","0.1","110","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.74 H1.74 O0.35 -","- C1.73913 H1.73913 O0.347826 -","- C80 H80 O16 -","46","11.5","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0745","0.0768","","","","","","1.109","","","","has coordinates","256409","2020-10-21","18:00:00",""
"4518041","8.5976","0.0004","9.2734","0.0005","12.5694","0.0006","104.461","0.002","99.599","0.002","96.061","0.002","945.36","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 B N2 O3 S Si -","- C18 H22 B N2 O3 S Si -","- C36 H44 B2 N4 O6 S2 Si2 -","2","1","","Desrosiers, Vincent; Garcia, Cecilia Zavaleta; Fontaine, Frédéric-Georges","Boron Recycling in the Metal-Free Transfer C‒H Borylation of Terminal Alkynes and Heteroarenes","ACS Catalysis","2020","","","11046","","10.1021/acscatal.0c02682","","x-ray","1.54178","CuKα","","0.0485","0.0481","","","0.1336","0.1343","","","","","","1.032","","","","has coordinates,has disorder","256410","2020-10-21","18:00:00",""
"4518044","10.705","0.0003","11.4472","0.0004","13.9654","0.0005","97.31","0.003","112.09","0.002","95.568","0.002","1553.18","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Cl N4 O5 P -","- C34 H34 Cl N4 O5 P -","- C68 H68 Cl2 N8 O10 P2 -","2","1","","Garrido-González, José J.; Iglesias Aparicio, Ma Mercedes; García, Miguel Martínez; Simón, Luis; Sanz, Francisca; Morán, Joaquín R.; Fuentes de Arriba, Ángel L.","An Enzyme Model Which Mimics Chymotrypsin and N-Terminal Hydrolases","ACS Catalysis","2020","","","11162","","10.1021/acscatal.0c02121","","","1.54178","CuKα","","0.055","0.0418","","","0.1041","0.1129","","","","","","1.026","","","","has coordinates","256456","2020-10-21","18:00:00",""
"4518051","9.8601","0.0003","5.6544","0.0002","44.1243","0.0015","90","","90","","90","","2460.06","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","2","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0624","0.0572","","","0.1283","0.1308","","","","","","1.094","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518052","9.2362","0.0003","10.9879","0.0003","23.7378","0.0007","90","","90","","90","","2409.06","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0744","0.059","","","0.1449","0.1549","","","","","","1.071","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518053","14.6389","0.0003","5.303","0.0001","13.1361","0.0003","90","","106.994","0.001","90","","975.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O -","- C12 H16 O -","- C48 H64 O4 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0385","0.0341","","","0.0837","0.0867","","","","","","1.049","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518054","9.1475","0.0002","19.6782","0.0005","7.9541","0.0002","90","","92.11","0.001","90","","1430.82","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 -","- C15 H28 O2 -","- C60 H112 O8 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0791","0.0729","","","0.1931","0.2031","","","","","","1.122","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518056","13.1697","0.0001","8.5458","0.0001","33.8861","0.0003","90","","90","","90","","3813.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 S2 -","- C20 H24 O5 S2 -","- C160 H192 O40 S16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0307","","","0.0749","0.0767","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518057","27.5054","0.0002","7.159","0.0001","28.9864","0.0002","90","","91.009","0.001","90","","5706.86","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C128 H210 O13 -","- C128 H210 O13 -","- C256 H420 O26 -","2","0.5","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0354","0.0343","","","0.0922","0.0931","","","","","","1.036","","","","has coordinates,has disorder","256998","2020-10-21","18:00:00",""
"4518058","6.46515","0.00012","7.56208","0.00015","26.4823","0.0006","90","","93.8866","0.0018","90","","1291.74","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0438","0.0392","","","0.0938","0.0963","","","","","","1.064","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518059","13.4325","0.0004","9.9472","0.0003","15.5089","0.0005","90","","101.16","0.003","90","","2033.05","0.11","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B N O4 -","- C20 H30 B N O4 -","- C80 H120 B4 N4 O16 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","0.71073","MoKα","","0.069","0.0578","","","0.1043","0.1092","","","","","","1.057","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518060","11.66361","0.00012","15.02503","0.00019","11.25687","0.00012","90","","97.1362","0.001","90","","1957.44","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O4 S2 -","- C20 H22 F2 O4 S2 -","- C80 H88 F8 O16 S8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0333","0.0311","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518061","14.75517","0.0001","11.9167","0.00008","18.31913","0.00011","90","","93.7103","0.0006","90","","3214.35","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 O3 S -","- C37 H56 O3 S -","- C148 H224 O12 S4 -","4","2","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0323","","","0.0849","0.0859","","","","","","1.05","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518062","23.988","0.0003","6.72515","0.00007","18.4587","0.0002","90","","109.443","0.0012","90","","2808","0.06","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C128 H208 O16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0371","0.0345","","","0.0864","0.0883","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518064","14.8299","0.0005","7.4261","0.0003","11.4598","0.0004","90","","109.078","0.0009","90","","1192.73","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0611","0.0427","","","0.1086","0.1212","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518065","12.3333","0.0004","11.1772","0.0004","19.7023","0.0006","90","","101.316","0.001","90","","2663.2","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C144 H96 O24 -","8","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0802","0.0501","","","0.1143","0.1334","","","","","","1.017","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518066","11.0065","0.0003","13.6364","0.0003","7.4223","0.0002","90","","101.195","0.001","90","","1092.81","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F3 O3 -","- C13 H7 F3 O3 -","- C52 H28 F12 O12 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0647","0.0461","","","0.1334","0.1489","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518081","8.2522","0.0003","10.6947","0.0005","11.645","0.0005","88.833","0.001","86.13","0.001","88.885","0.001","1025","0.07","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27.38 Ir N O2.69 -","- C23 H27.382 Ir N O2.691 -","- C46 H54.764 Ir2 N2 O5.382 -","2","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.018","0.0179","","","0.0435","0.0436","","","","","","1.088","","","","has coordinates,has disorder","256733","2020-10-21","18:00:00",""
"4518082","11.2966","0.0003","17.3143","0.0004","23.2024","0.0005","101.869","0.0009","102.938","0.001","99.047","0.0008","4228.98","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N4 O Si -","- C30 H36 N4 O Si -","- C180 H216 N24 O6 Si6 -","6","3","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0824","0.0571","","","0.1521","0.1745","","","","","","1.043","","","","has coordinates","256734","2020-10-21","18:00:00",""
"4518083","11.3222","0.0003","18.4507","0.0005","14.6046","0.0004","90","","103.017","0.001","90","","2972.54","0.14","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Ir N Si -","- C32 H44 Ir N Si -","- C128 H176 Ir4 N4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0172","0.0165","","","0.0378","0.0382","","","","","","1.101","","","","has coordinates,has disorder","256735","2020-10-21","18:00:00",""
"4518084","20.944","0.001","8.1654","0.0004","12.3532","0.0006","90","","97.35","0.002","90","","2095.24","0.18","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F N O Si -","- C22 H28 F N O Si -","- C88 H112 F4 N4 O4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0477","0.0441","","","0.1188","0.1218","","","","","","1.059","","","","has coordinates","256736","2020-10-21","18:00:00",""
"4518085","7.4568","0.0002","20.0275","0.0005","27.8489","0.0007","88.958","0.001","84.338","0.001","80.073","0.001","4076.73","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H55.66 Cl2 N2 O2.83 Si2 -","- C39 H55.66 Cl2 N2 O2.83 Si2 -","- C156 H222.64 Cl8 N8 O11.32 Si8 -","4","2","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0713","0.0592","","","0.151","0.1624","","","","","","1.016","","","","has coordinates,has disorder","256737","2020-10-21","18:00:00",""
"4518086","24.9365","0.0009","11.3131","0.0004","8.3785","0.0003","90","","90","","90","","2363.65","0.15","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H31 N O Si -","- C26 H31 N O Si -","- C104 H124 N4 O4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0274","0.0274","","","0.0758","0.0758","","","","","","1.0695","","","","has coordinates,has disorder","256738","2020-10-21","18:00:00",""
"4518087","8.0636","0.0002","13.035","0.0004","15.6853","0.0005","90","","96.548","0.001","90","","1637.91","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 F N Si2 -","- C33 H48 F N Si2 -","- C66 H96 F2 N2 Si4 -","2","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0501","0.0465","","","0.1237","0.1312","","","","","","1.082","","","","has coordinates,has disorder","256739","2020-10-21","18:00:00",""
"4518091","12.8335","0.0002","14.5079","0.0002","25.395","0.0003","90","","90","","90","","4728.22","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Br2 O4 Si -","- C21 H34 Br2 O4 Si -","- C168 H272 Br16 O32 Si8 -","8","1","","Schäfers, Felix; Quach, Linda; Schwarz, J. Luca; Saladrigas, Mar; Daniliuc, Constantin G.; Glorius, Frank","Direct Access to Monoprotected Homoallylic 1,2-Diols via Dual Chromium/Photoredox Catalysis","ACS Catalysis","2020","","","11841","11847","10.1021/acscatal.0c03697","","","1.54178","CuKα","","0.0282","0.0272","","","0.0669","0.0675","","","","","","1.076","","","","has coordinates,has disorder","256806","2020-10-21","18:00:00",""
"4518092","10.8133","0.0011","18.3449","0.0019","22.899","0.002","90","","90","","90","","4542.4","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1211","0.0852","","","0.2218","0.2484","","","","","","1.049","","","","has coordinates","256828","2020-10-21","18:00:00",""
"4518093","18.048","0.008","18.048","0.008","18.684","0.008","90","","90","","90","","6086","5","153","2","153","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C212 H304 Cl8 F24 Mn4 N16 O36 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.0562","0.0512","","","0.1407","0.1469","","","","","","1.067","","","","has coordinates","256829","2020-10-21","18:00:00",""
"4518094","15.2678","0.0016","15.2678","0.0016","17.167","0.002","90","","90","","90","","4001.7","0.8","298","2","298","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 F6 Mn N4 O8 S2 -","- C36 H40 F6 Mn N4 O8 S2 -","- C144 H160 F24 Mn4 N16 O32 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1302","0.0491","","","0.0815","0.0989","","","","","","1.004","","","","has coordinates","256830","2020-10-21","18:00:00",""
"4518095","10.8038","0.0008","18.2978","0.0014","22.8902","0.0017","90","","90","","90","","4525.1","0.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1308","0.085","","","0.2314","0.2675","","","","","","1.086","","","","has coordinates","256831","2020-10-21","18:00:00",""
"4518103","11.568","0.0003","14.8438","0.0004","12.2105","0.0003","90","","94.94","0.007","90","","2088.91","0.1","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro","Dual-Functional Enone-Directing Group/Electrophile for Sequential C‒C Bond Formation with α-Diazomalonates: A Short Synthesis of Chiral 3,4-Fused Tricyclic Indoles","ACS Catalysis","2020","","","11971","11979","10.1021/acscatal.0c03940","","","1.54187","CuKα","","0.0535","0.0425","","","0.0958","0.1001","","","","","","1.071","","","","has coordinates","256888","2020-10-21","18:00:00",""
"4518108","6.4796","0.0002","10.8112","0.0004","17.4816","0.0006","90","","90","","90","","1224.63","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Br N -","- C14 H18 Br N -","- C56 H72 Br4 N4 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","Enantioselective Cyanoborylation of Allenes by N-Heterocyclic Carbene-Copper Catalysts","ACS Catalysis","2020","","","11685","11692","10.1021/acscatal.0c03018","","","0.71073","MoKα","","0.0258","0.0235","","","0.0557","0.0567","","","","","","1.045","","","","has coordinates","256945","2020-10-21","18:00:00",""
"4518109","10.9416","0.0017","5.8946","0.0009","8.9783","0.0013","90","","112.366","0.006","90","","535.51","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 F N O -","- C5 H8 F N O -","- C20 H32 F4 N4 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","0.71073","MoKα","","0.04","0.0383","","","0.0924","0.0934","","","","","","1.074","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518110","6.8234","0.0008","7.0364","0.0007","11.2928","0.0013","90","","93.296","0.005","90","","541.29","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 F N O -","- C5 H8 F N O -","- C20 H32 F4 N4 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0435","0.0362","","","0.084","0.0891","","","","","","1.121","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518111","16.6845","0.0004","6.2599","0.0002","21.2252","0.0005","90","","90","","90","","2216.83","0.1","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H13 F4 N -","- C12 H13 F4 N -","- C96 H104 F32 N8 -","8","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0487","0.0414","","","0.1105","0.1157","","","","","","1.029","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518112","12.8484","0.0003","8.4676","0.0002","11.8938","0.0003","90","","95.519","0.001","90","","1287.99","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F4 N2 O -","- C13 H14 F4 N2 O -","- C52 H56 F16 N8 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0387","0.0334","","","0.0856","0.0892","","","","","","1.042","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518113","11.8985","0.0002","7.4145","0.0002","15.3304","0.0003","90","","101.584","0.001","90","","1324.92","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 F N2 O2 -","- C13 H19 F N2 O2 -","- C52 H76 F4 N8 O8 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0579","0.0486","","","0.1262","0.1338","","","","","","1.059","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518114","4.7931","0.0002","12.9627","0.0005","12.803","0.0005","90","","97.469","0.001","90","","788.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F N2 O -","- C7 H11 F N2 O -","- C28 H44 F4 N8 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","0.71073","MoKα","","0.0417","0.0374","","","0.0899","0.093","","","","","","1.09","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518115","6.6025","0.0002","7.3672","0.0002","7.036","0.0002","90","","90.746","0.002","90","","342.216","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl F N -","- C5 H11 Cl F N -","- C10 H22 Cl2 F2 N2 -","2","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0341","0.033","","","0.086","0.0866","","","","","","1.172","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518119","15.4262","0.0003","17.0323","0.0003","19.6403","0.0004","90","","111.781","0.003","90","","4791.96","0.19","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C188 H204 Al4 Cl16 N20 O16 P8 Rh4 -","4","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.0667","0.0494","","","0.1201","0.1278","","","","","","1.107","","","","has coordinates","258696","2020-11-04","01:15:24",""
"4518120","16.4861","0.0002","17.1218","0.0002","18.1159","0.0002","102.604","0.001","96.8135","0.001","92.8749","0.0009","4939.85","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C176 H136 Cl28 Ga8 N16 P8 Rh4 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.109","0.0988","","","0.2187","0.2224","","","","","","1.231","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518121","12.4389","0.0001","13.5826","0.0003","15.0995","0.0003","83.4699","0.0017","80.9723","0.0015","86.2699","0.0013","2500.25","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C94 H90 Cl14 In4 N6 O4 P4 Rh2 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0285","0.0255","","","0.0612","0.0624","","","","","","1.079","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518122","37.4179","0.0001","14.6854","0.0001","22.6886","0.0001","90","","90.5378","0.0003","90","","12466.8","0.11","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C504 H440 Cl48 Ga16 N24 O12 P24 Rh8 -","4","0.5","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0334","0.0324","","","0.0893","0.09","","","","","","1.065","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518130","7.1106","0.0003","8.8828","0.0003","9.8984","0.0003","77.175","0.001","89.3","0.001","74.07","0.001","585.4","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C22 H24 F6 N2 O4 S2 -","2","1","","Ge, Hangming; Wu, Botao; Liu, Yafei; Wang, Haoyang; Shen, Qilong","Synergistic Lewis Acid and Photoredox-Catalyzed Trifluoromethylative Difunctionalization of Alkenes with Selenium Ylide-Based Trifluoromethylating Reagent","ACS Catalysis","2020","","","12414","12424","10.1021/acscatal.0c03776","","","0.71073","MoKα","","0.0379","0.0356","","","0.0931","0.0955","","","","","","1.04","","","","has coordinates","258268","2020-10-21","18:00:00",""
"4518133","12.236","0.0001","21.4326","0.0001","20.1723","0.0001","90","","103.841","0.001","90","","5136.56","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H37 Al Cl10 N2 O2 -","- C57 H37 Al Cl10 N2 O2 -","- C228 H148 Al4 Cl40 N8 O8 -","4","1","","Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W.","Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone","ACS Catalysis","2020","","","12537","12543","10.1021/acscatal.0c03492","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0953","0.0962","","","","","","1.029","","","","has coordinates,has disorder","258342","2020-10-21","18:00:00",""
"4518134","14.16596","0.00004","24.26807","0.00008","21.69468","0.00007","90","","95.347","0.0003","90","","7425.75","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C96 H86 Al B N2 O7 -","- C96 H86 Al B N2 O7 -","- C384 H344 Al4 B4 N8 O28 -","4","2","","Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W.","Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone","ACS Catalysis","2020","","","12537","12543","10.1021/acscatal.0c03492","","x-ray","1.54184","CuKα","","0.0404","0.0393","","","0.1056","0.1066","","","","","","1.03","","","","has coordinates","258343","2020-10-21","18:00:00",""
"4518143","12.058","0.003","9.432","0.002","14.999","0.004","90","","104.566","0.007","90","","1651","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.1217","0.0644","","","0.1388","0.1707","","","","","","1.047","","","","has coordinates","258426","2020-10-21","18:00:00",""
"4518144","11.248","0.0004","13.4191","0.0005","9.9224","0.0003","90","","96.859","0.001","90","","1486.95","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.0534","0.0414","","","0.1054","0.1159","","","","","","1.026","","","","has coordinates","258427","2020-10-21","18:00:00",""
"4518145","8.425","0.002","13.085","0.003","16.325","0.004","90","","104.597","0.007","90","","1741.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C80 H76 Cl4 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.109","0.0621","","","0.1531","0.1859","","","","","","1.036","","","","has coordinates","258428","2020-10-21","18:00:00",""
"4518146","8.567","0.0007","14.5739","0.001","15.62","0.0011","90","","97.596","0.002","90","","1933.1","0.2","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 Co N4 -","- C20 H16 Br2 Co N4 -","- C80 H64 Br8 Co4 N16 -","4","1","","Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne","Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight","ACS Catalysis","2020","","","12819","12827","10.1021/acscatal.0c03903","","","0.71069","MoKα","","0.064","0.0369","","","0.0693","0.0776","","","","","","1.002","","","","has coordinates","258494","2020-10-21","18:00:00",""
"4518147","13.2935","0.0005","13.2935","0.0005","40.9","0.0016","90","","90","","120","","6259.4","0.4","150","","150.15","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H96 Br9 Co4 Mn2 N24 -","- C120 H96 Br9 Co4 Mn2 N24 -","- C240 H192 Br18 Co8 Mn4 N48 -","2","0.166667","","Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne","Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight","ACS Catalysis","2020","","","12819","12827","10.1021/acscatal.0c03903","","","0.71073","MoKα","","0.0443","0.0343","","","0.0796","0.0829","","","","","","1.022","","","","has coordinates","258494","2020-10-21","18:00:00",""
"4518163","9.618","","14.2124","0.0001","14.4586","0.0001","90","","90","","90","","1976.42","0.019","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B Fe N -","- C22 H30 B Fe N -","- C88 H120 B4 Fe4 N4 -","4","1","","Dong, Wu-Wei; Li, Yi-Nan; Chang, Xin; Shen, Chong; Wang, Chun-Jiang","Chiral Ugi-Type Amines: Practical Synthesis, Ligand Development, and Asymmetric Catalysis","ACS Catalysis","2020","","","12954","12959","10.1021/acscatal.0c04077","","x-ray","1.54178","CuKα","","0.0173","0.0171","","","0.0456","0.0457","","","","","","1.034","","","","has coordinates","258550","2020-10-22","21:30:36",""
"4518164","13.9717","0.0003","22.3087","0.0006","15.064","0.0003","90","","90.591","0.002","90","","4695.06","0.19","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C216 H216 N8 O40 -","8","2","","Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko","Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals","ACS Catalysis","2020","","","12770","12782","10.1021/acscatal.0c03986","","","0.71073","MoKα","","0.0938","0.0541","","","0.1053","0.1196","","","","","","1.005","","","","has coordinates","258551","2020-10-22","21:31:04",""
"4518165","13.7004","0.0002","20.3764","0.0003","29.3278","0.0005","90","","90","","90","","8187.3","0.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C96 H82 B2 F8 O6 P4 Pd2 -","- C96 H82 B2 F8 O6 P4 Pd2 -","- C384 H328 B8 F32 O24 P16 Pd8 -","4","1","","Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko","Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals","ACS Catalysis","2020","","","12770","12782","10.1021/acscatal.0c03986","","","0.71073","MoKα","","0.0762","0.0492","","","0.091","0.0994","","","","","","1.038","","","","has coordinates,has disorder","258552","2020-10-22","21:31:37",""
"4518175","7.9554","0.0009","13.3409","0.0014","13.583","0.0014","108.591","0.004","95.505","0.005","94.138","0.004","1352","0.3","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H42 Cl Ir N O6 P -","- C24 H42 Cl Ir N O6 P -","- C48 H84 Cl2 Ir2 N2 O12 P2 -","2","1","","Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.","Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability","ACS Catalysis","2020","","","13019","13030","10.1021/acscatal.0c03784","","","1.5418","CuKα","","0.0205","0.0197","","0.0495","0.0491","0.0495","","","","","","1.0692","","","","has coordinates,has disorder","258583","2020-10-23","21:24:41",""
"4518176","12.8158","0.0002","12.8715","0.0002","17.2525","0.0003","80.155","0.001","89.504","0.001","66.413","0.001","2564.14","0.08","150","","150","","","","","","","","","9","P 1","P 1","1","","","","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","1","1","","Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.","Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability","ACS Catalysis","2020","","","13019","13030","10.1021/acscatal.0c03784","","","1.5418","CuKα","","0.0869","0.0865","","0.2306","0.2298","0.2306","","","","","","1.1545","","","","has coordinates,has disorder","258584","2020-10-23","21:25:04",""
"4518181","5.24","0.0001","6.2805","0.0001","23.9605","0.0006","90","","90","","90","","788.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl O -","- C7 H13 Cl O -","- C28 H52 Cl4 O4 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0507","0.0393","","","0.0698","0.0744","","","","","","1.064","","","","has coordinates","258602","2020-10-26","22:25:49",""
"4518182","6.2973","0.0002","5.2861","0.0002","12.6948","0.0005","90","","93.567","0.003","90","","421.77","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 Cl O -","- C8 H15 Cl O -","- C16 H30 Cl2 O2 -","2","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0432","0.035","","","0.0675","0.0716","","","","","","1.044","","","","has coordinates","258602","2020-10-26","22:25:58",""
"4518183","7.2887","0.0001","9.0165","0.0002","15.2516","0.0003","90","","90","","90","","1002.31","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cl O2 -","- C9 H15 Cl O2 -","- C36 H60 Cl4 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0314","0.0295","","","0.0755","0.0767","","","","","","1.053","","","","has coordinates","258602","2020-10-26","22:26:00",""
"4518184","6.1266","0.0001","8.4858","0.0002","18.3913","0.0004","90","","90","","90","","956.15","0.03","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0516","0.045","","","0.1119","0.115","","","","","","1.13","","","","has coordinates","258602","2020-10-26","22:26:01",""
"4518185","13.3478","0.0009","14.062","0.0009","17.8249","0.0012","90.177","0.002","93.026","0.002","114.592","0.002","3036.8","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 Cl2 Cu2 F8 O2 P4 -","- C68 H56 Cl2 Cu2 F8 O2 P4 -","- C136 H112 Cl4 Cu4 F16 O4 P8 -","2","1","","Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.","Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds","ACS Catalysis","2020","","","13075","13083","10.1021/acscatal.0c03622","","","0.71073","MoKα","","0.0951","0.056","","","0.109","0.1236","","","","","","1.018","","","","has coordinates","258612","2020-10-27","22:23:25",""
"4518186","16.4338","0.0008","16.5229","0.0008","17.2231","0.0008","69.906","0.001","77.081","0.001","64.824","0.001","3958.2","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cl2 Cu2 F24 O3 P4 -","- C80 H64 Cl2 Cu2 F24 O3 P4 -","- C160 H128 Cl4 Cu4 F48 O6 P8 -","2","1","","Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.","Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds","ACS Catalysis","2020","","","13075","13083","10.1021/acscatal.0c03622","","x-ray","0.71073","MoKα","","0.0751","0.0497","","","0.1228","0.1425","","","","","","1.028","","","","has coordinates,has disorder","258613","2020-10-27","22:23:53",""
"4518195","11.3768","0.0002","13.3425","0.0002","24.5874","0.0005","90","","90","","90","","3732.24","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C160 H152 Br8 N16 O24 -","8","2","","Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro","Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction","ACS Catalysis","2020","10","22","13296","13304","10.1021/acscatal.0c04057","","","1.54187","CuKα","","0.0673","0.0462","","","0.0758","0.0817","","","","","","1.023","","","","has coordinates","259501","2020-12-04","02:11:54",""
"4518198","14.0181","0.0011","8.46","0.0007","16.4369","0.0013","90","","102.753","0.001","90","","1901.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I N2 Rh -","- C20 H24 I N2 Rh -","- C80 H96 I4 N8 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0397","0.0251","","","0.0483","0.0522","","","","","","1.018","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518199","17.652","0.0018","12.0217","0.0012","14.0368","0.0014","90","","113.194","0.001","90","","2738","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl3 I N3 Rh -","- C26 H28 Cl3 I N3 Rh -","- C104 H112 Cl12 I4 N12 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0887","0.0554","","","0.101","0.111","","","","","","1.065","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518200","12.9396","0.0011","12.9396","0.0011","35.996","0.004","90","","90","","90","","6026.9","1","125","2","125","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Ti(NtBu)ind2py2","","","- C30 H31 N5 Ti -","- C30 H31 N5 Ti -","- C240 H248 N40 Ti8 -","8","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0266","0.0237","","","0.0599","0.0617","","","","","","1.071","","","","has coordinates","259500","2020-12-04","02:11:41",""
"4518201","9.4737","0.0004","36.2928","0.0016","19.9562","0.001","90","","95.112","0.002","90","","6834.2","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(NtBu)carb2py2","","","- C82.52 H77.04 N10 Ti2 -","- C82.522 H77.044 N10 Ti2 -","- C330.088 H308.176 N40 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0698","0.0503","","","0.1068","0.1152","","","","","","1.065","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518202","24.117","0.003","15.0952","0.0014","20.943","0.002","90","","114.01","0.004","90","","6964.6","1.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ti(NtBu)(O^P)3Ti(NtBu)Cl","","","- C80 H78 Cl N2 O3 P3 Ti2 -","- C80 H78 Cl N2 O3 P3 Ti2 -","- C320 H312 Cl4 N8 O12 P12 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0911","0.0747","","","0.1468","0.1525","","","","","","1.227","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518203","9.8644","0.0009","12.5071","0.0011","12.5128","0.001","116.587","0.002","93.947","0.003","112.994","0.003","1213.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ti(NTol)Cl2bipy*","","","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","1","0.5","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0793","0.0506","","","0.1208","0.139","","","","","","1.058","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518214","11.7514","0.0004","13.3298","0.0005","9.6736","0.0003","90","","95.87","0.004","90","","1507.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 Cl2 N S -","- C16 H13 Cl2 N S -","- C64 H52 Cl8 N4 S4 -","4","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.044","0.0433","","","0.1113","0.1118","","","","","","1.092","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518215","7.9208","0.0001","5.9641","0.0001","13.9611","0.0002","90","","95.677","0.002","90","","656.294","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H11 Cl2 N S -","- C14 H11 Cl2 N S -","- C28 H22 Cl4 N2 S2 -","2","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.028","0.0263","","","0.0635","0.0642","","","","","","1.054","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518216","12.1646","0.0017","21.938","0.002","16.962","0.002","90","","102.835","0.004","90","","4413.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H90 Br5 N13 Ni4 O3 -","- C81 H90 Br5 N13 Ni4 O3 -","- C162 H180 Br10 N26 Ni8 O6 -","2","1","","Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong","Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines","ACS Catalysis","2020","10","22","13641","13649","10.1021/acscatal.0c03428","","","0.71073","MoKα","","0.0756","0.0511","","","0.1247","0.1352","","","","","","0.992","","","","has coordinates","259504","2020-12-04","02:12:20",""
"4518242","16.6287","0.001","9.5046","0.0005","14.4444","0.0008","90","","109.835","0.008","90","","2147.5","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F N O5 S -","- C25 H20 F N O5 S -","- C100 H80 F4 N4 O20 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","0.1369","0.0689","","","0.099","0.115","","","","","","1.037","","","","has coordinates,has disorder","259188","2020-11-19","22:26:27",""
"4518243","8.0552","0.0005","11.7776","0.0005","12.3272","0.0006","105.882","0.007","95.33","0.007","93.032","0.007","1116.24","0.11","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F N O5 S -","- C26 H22 F N O5 S -","- C52 H44 F2 N2 O10 S2 -","2","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0615","","","","0.1388","","","","","","1.02","","","","has coordinates","259189","2020-11-19","22:26:53",""
"4518244","20.9621","0.0004","13.2147","0.0002","17.096","0.0003","90","","90","","90","","4735.73","0.14","173","","173","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H22 F3 N O4 S -","- C26 H22 F3 N O4 S -","- C208 H176 F24 N8 O32 S8 -","8","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0401","","","","0.1151","","","","","","1.033","","","","has coordinates","259190","2020-11-19","22:27:15",""
"4518245","11.9745","0.0006","8.5948","0.0005","25.5692","0.0012","90","","103.368","0.007","90","","2560.2","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H28 F2 N O6.5 S -","- C27.5 H28 F2 N O6.5 S -","- C110 H112 F8 N4 O26 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0645","","","","0.1371","","","","","","1.054","","","","has coordinates","259191","2020-11-19","22:27:37",""
"4518246","20.8044","0.0007","9.0158","0.0003","10.0248","0.0003","90","","90","","90","","1880.33","0.11","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 F N O4 S -","- C20 H20 F N O4 S -","- C80 H80 F4 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0371","","","","0.0749","","","","","","0.92","","","","has coordinates","259192","2020-11-19","22:28:01",""
"4518247","18.2175","0.0007","7.7392","0.0003","16.7579","0.0008","90","","102.923","0.007","90","","2302.83","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 F2 N O4 S -","- C26 H25 F2 N O4 S -","- C104 H100 F8 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","0.1248","0.0721","","","0.137","0.1525","","","","","","1.051","","","","has coordinates,has disorder","259193","2020-11-19","22:28:30",""
"4518248","8.91","0.0003","10.057","0.0003","20.0309","0.0006","90","","102.026","0.008","90","","1755.53","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0432","","","","0.1027","","","","","","1.147","","","","has coordinates","259194","2020-11-19","22:28:59",""
"4518249","9.9672","0.0004","13.3088","0.0005","17.6941","0.0007","90","","97.059","0.007","90","","2329.36","0.16","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 F2 N O5 S -","- C26 H23 F2 N O5 S -","- C104 H92 F8 N4 O20 S4 -","4","2","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0557","","","","0.1002","","","","","","1.013","","","","has coordinates","259195","2020-11-19","22:29:22",""
"4518250","8.8969","0.0004","10.1294","0.0005","20.1617","0.0008","90","","101.962","0.008","90","","1777.52","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F2 N O4 S -","- C19 H17 F2 N O4 S -","- C76 H68 F8 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0583","","","","0.1203","","","","","","1.029","","","","has coordinates","259196","2020-11-19","22:29:44",""
"4518251","9.7433","0.0003","7.3884","0.0003","15.0351","0.0005","90","","97.095","0.007","90","","1074.05","0.07","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N O4 S -","- C25 H20 F3 N O4 S -","- C50 H40 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0341","","","","0.0859","","","","","","1.043","","","","has coordinates","259197","2020-11-19","22:30:06",""
"4518260","16.6732","0.0007","7.8057","0.0003","16.9323","0.0007","90","","103.9","0.001","90","","2139.14","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 F3 N O2 S -","- C24 H24 F3 N O2 S -","- C96 H96 F12 N4 O8 S4 -","4","1","","Apolinar, Omar; Tran, Van T.; Kim, Nana; Schmidt, Michael A.; Derosa, Joseph; Engle, Keary M.","Sulfonamide Directivity Enables Ni-Catalyzed 1,2-Diarylation of Diverse Alkenyl Amines","ACS Catalysis","2020","","","14234","14239","10.1021/acscatal.0c03857","","x-ray","0.71073","MoKα","","0.0494","0.0363","","","0.0842","0.0903","","","","","","1.027","","","","has coordinates","259215","2020-11-21","22:30:37",""
"4518266","8.3518","0.0007","9.1518","0.0008","9.0312","0.0009","90","","112.947","0.003","90","","635.67","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C24 H30 N2 O12 -","2","1","","Niederer, Kyle A.; Gilmartin, Philip H.; Kozlowski, Marisa C.","Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Nonenzymatic, Catalytic Method for Coupling Tyrosine","ACS Catalysis","2020","","","14615","14623","10.1021/acscatal.0c04515","","","0.71073","MoKα","","0.0311","0.0295","","","0.0685","0.0692","","","","","","1.103","","","","has coordinates","259259","2020-11-26","22:29:24",""
"4518269","10.5142","0.0006","13.9784","0.0008","19.3527","0.0011","90","","100.698","0.002","90","","2794.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ZXK_L9","","- C38 H28 P2 -","- C38 H28 P2 -","- C152 H112 P8 -","4","1","","Chen, Xiao-Yang; Zhou, Xukai; Wang, Jianchun; Dong, Guangbin","FMPhos: Expanding the Catalytic Capacity of Small-Bite-Angle Bisphosphine Ligands in Regioselective Alkene Hydrofunctionalizations","ACS Catalysis","2020","","","14349","14358","10.1021/acscatal.0c04199","","","0.71073","MoKα","","0.0669","0.0423","","","0.0905","0.0999","","","","","","1.028","","","","has coordinates","259484","2020-12-03","19:41:09",""
"4518270","11.4984","0.0006","18.3575","0.001","12.3063","0.0007","90","","115.676","0.003","90","","2341.1","0.2","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","6","","","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C86 H90 Cl4 F12 Fe2 Mo2 N6 O12 S4 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0528","0.0352","","","0.0544","0.0576","","","","","","1.041","","","","has coordinates","259485","2020-12-03","22:23:19",""
"4518271","12.9087","0.0007","16.1499","0.0009","20.173","0.0011","101.303","0.002","101.414","0.003","103.356","0.002","3879.9","0.4","135","2","135","2","","","","","","","","7","P -1","-P 1","2","3","","","- C77 H61 B F33 Mo N3 O -","- C77 H61 B F33 Mo N3 O -","- C154 H122 B2 F66 Mo2 N6 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0672","0.0431","","","0.1062","0.115","","","","","","1.042","","","","has coordinates,has disorder","259486","2020-12-03","22:23:42",""
"4518272","12.8175","0.0006","15.5311","0.0008","20.3008","0.001","104.613","0.003","96.591","0.003","92.48","0.002","3873.7","0.3","135","2","135","2","","","","","","","","7","P -1","-P 1","2","4","","","- C75 H59 B F33 Mo N3 O -","- C75 H59 B F33 Mo N3 O -","- C150 H118 B2 F66 Mo2 N6 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0836","0.0672","","","0.1649","0.1709","","","","","","1.043","","","","has coordinates,has disorder","259487","2020-12-03","22:24:07",""
"4518273","12.8554","0.0004","16.2503","0.0006","19.8326","0.0007","105.02","0.002","96.524","0.002","96.704","0.003","3929.2","0.2","135","2","135","2","","","","","","","","8","P -1","-P 1","2","2","","","- C77 H58 B Cl2 F33 Mo N4 O -","- C77 H58 B Cl2 F33 Mo N4 O -","- C154 H116 B2 Cl4 F66 Mo2 N8 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.1153","0.0629","","","0.1413","0.157","","","","","","1.042","","","","has coordinates,has disorder","259488","2020-12-03","22:24:31",""
"4518274","12.871","0.0008","15.3569","0.001","39.432","0.002","83.163","0.003","86.32","0.003","89.432","0.004","7722.7","0.8","135","2","135","2","","","","","","","","7","P -1","-P 1","2","1","","","- C76 H58.5 B F33 Mo N3.5 O -","- C76 H58.5 B F33 Mo N3.5 O -","- C304 H234 B4 F132 Mo4 N14 O4 -","4","2","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.1025","0.0578","","","0.1247","0.1368","","","","","","1.05","","","","has coordinates,has disorder","259489","2020-12-03","22:25:01",""
"4518275","12.4112","0.0006","10.6334","0.0006","23.3549","0.0012","90","","103.504","0.002","90","","2997","0.3","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5","","","- C26 H21 F18 Mo N O2 -","- C26 H21 F18 Mo N O2 -","- C104 H84 F72 Mo4 N4 O8 -","4","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0484","0.0326","","","0.0766","0.0828","","","","","","1.024","","","","has coordinates,has disorder","259490","2020-12-03","22:25:26",""
"4518276","6.1585","0.0004","4.6786","0.0002","26.8306","0.0016","90","","96.26","0.002","90","","768.46","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.0558","0.0393","","","0.082","0.0904","","","","","","1.04","","","","has coordinates","259491","2020-12-03","22:26:08",""
"4518277","14.8957","0.0007","12.8359","0.0006","8.415","0.0003","90","","111.928","0.0017","90","","1492.55","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.0639","0.0482","","","0.1199","0.1393","","","","","","1.071","","","","has coordinates","259491","2020-12-03","22:26:10",""
"4518278","16.8594","0.0011","16.8594","0.0011","8.3896","0.0007","90","","90","","120","","2065.2","0.3","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C13 H19 N O -","- C13 H19 N O -","- C78 H114 N6 O6 -","6","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.114","0.0605","","","0.1324","0.1591","","","","","","1.022","","","","has coordinates","259491","2020-12-03","22:26:19",""
"4518293","18.5988","0.0004","13.7054","0.0003","26.5064","0.0004","90","","104.133","0.0016","90","","6552.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H45.5 Br2 F6 I2 O10 -","- C79 H45.5 Br2 F6 I2 O10 -","- C316 H182 Br8 F24 I8 O40 -","4","2","","Lai, Junshan; Fianchini, Mauro; Pericàs, Miquel A.","Development of Immobilized SPINOL-Derived Chiral Phosphoric Acids for Catalytic Continuous Flow Processes. Use in the Catalytic Desymmetrization of 3,3-Disubstituted Oxetanes","ACS Catalysis","2020","","","14971","14983","10.1021/acscatal.0c04497","","","0.71075","MoKα","","0.0993","0.0676","","","0.1666","0.1756","","","","","","1.151","","","","has coordinates,has disorder","259633","2020-12-06","22:22:23",""
"4518327","10.0807","0.0004","11.1859","0.0005","12.2258","0.0005","74.6461","0.0009","84.2332","0.0009","88.2173","0.0009","1322.66","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Rajender052820_1","","","- C28 H33 B Br N O4 -","- C28 H33 B Br N O4 -","- C56 H66 B2 Br2 N2 O8 -","2","1","","Nallagonda, Rajender; Karimov, Rashad R.","Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters","ACS Catalysis","2020","","","248","254","10.1021/acscatal.0c04474","","","1.54184","CuKα","","0.0351","0.0351","","","0.0868","0.0868","","","","","","1.099","","","","has coordinates","259953","2020-12-18","22:15:21",""
"4518328","9.2929","0.0004","11.4055","0.0005","12.1564","0.0005","104.13","0.001","93.917","0.001","90.897","0.001","1245.86","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 B0 N2 O4 S -","- C26 H32 B N O4 S -","- C52 H64 B2 N2 O8 S2 -","2","1","","Nallagonda, Rajender; Karimov, Rashad R.","Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters","ACS Catalysis","2020","","","248","254","10.1021/acscatal.0c04474","","","1.54178","CuKα","","0.0361","0.036","","","0.0934","0.0935","","","","","","1.045","","","","has coordinates","259954","2020-12-18","22:15:51",""
"4518332","13.793","0.002","18.478","0.003","20.113","0.003","90","","90","","90","","5126.1","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C248 H232 N8 O16 S8 -","8","1","","Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng","Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization","ACS Catalysis","2020","","","383","389","10.1021/acscatal.0c03853","","","0.71073","MoKα","","0.0563","0.0388","","","0.0964","0.1075","","","","","","1.032","","","","has coordinates","260063","2020-12-21","22:20:40",""
"4518334","13.6349","0.0006","13.8194","0.0005","20.9311","0.001","90","","96.357","0.005","90","","3919.7","0.3","293.44","0.1","293.44","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 F16 Ir N6 O P -","- C35 H26 F16 Ir N6 O P -","- C140 H104 F64 Ir4 N24 O4 P4 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0859","0.0527","","","0.1074","0.1287","","","","","","1.05","","","","has coordinates","260080","2020-12-22","22:15:00",""
"4518335","13.4456","0.0006","15.4907","0.0006","19.3081","0.0009","90","","108.084","0.005","90","","3822.9","0.3","293.73","0.1","293.73","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F16 Ir N6 P -","- C37 H20 F16 Ir N6 P -","- C148 H80 F64 Ir4 N24 P4 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0693","0.0445","","","0.0895","0.1043","","","","","","1.049","","","","has coordinates","260081","2020-12-22","22:15:24",""
"4518336","19.625","0.0006","17.8886","0.0005","17.9372","0.0006","90","","93.187","0.003","90","","6287.4","0.3","293.8","0.1","293.8","0.1","","","","","","","","5","C 1 2/n 1","-C 2yac","15","","","","- C32 H16 F10 Ir N5 -","- C32 H16 F10 Ir N5 -","- C256 H128 F80 Ir8 N40 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0618","0.0445","","","0.1167","0.1283","","","","","","1.086","","","","has coordinates","260082","2020-12-22","22:23:26",""
"4518337","10.5004","0.0006","9.9404","0.0005","16.6691","0.001","90","","106.602","0.006","90","","1667.36","0.17","293.75","0.1","293.75","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S2 -","- C18 H15 N O3 S2 -","- C72 H60 N4 O12 S8 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0711","0.046","","","0.0955","0.11","","","","","","1.056","","","","has coordinates","260083","2020-12-22","22:23:47",""
"4518338","20.2832","0.0011","20.7079","0.0009","18.8839","0.0011","90","","107.83","0.006","90","","7550.7","0.7","293.94","0.1","293.94","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F16 Ir N5 P -","- C38 H21 F16 Ir N5 P -","- C304 H168 F128 Ir8 N40 P8 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0812","0.0559","","","0.1163","0.1365","","","","","","1.05","","","","has coordinates","260084","2020-12-22","22:24:09",""
"4518339","5.221","0.0009","12.037","0.003","14.359","0.003","78.97","0.02","84.119","0.016","87.601","0.017","880.8","0.3","293.25","0.16","293.25","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.1777","0.0769","","","0.1572","0.2232","","","","","","1.055","","","","has coordinates","260085","2020-12-22","22:24:32",""
"4518340","20.3077","0.0007","20.7973","0.0008","18.9412","0.0007","90","","107.616","0.004","90","","7624.6","0.5","293.63","0.1","293.63","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F16 Ir N5 P -","- C38 H21 F16 Ir N5 P -","- C304 H168 F128 Ir8 N40 P8 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0576","0.0379","","","0.0589","0.0682","","","","","","1.001","","","","has coordinates,has disorder","260086","2020-12-22","22:25:00",""
"4518341","15.2075","0.0009","6.9155","0.0004","20.9784","0.0011","90","","110.663","0.004","90","","2064.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","1.54178","CuKα","","0.0577","0.0428","","","0.1106","0.1192","","","","","","1.033","","","","has coordinates,has disorder","260087","2020-12-22","22:25:23",""
"4518342","20.0712","0.0012","30.159","0.002","6.8657","0.0005","90","","90","","90","","4156","0.5","173","2","173","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C18 H15 B Br2 F3 K O2 -","- C18 H15 B Br2 F3 K O2 -","- C144 H120 B8 Br16 F24 K8 O16 -","8","2","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","1.54178","CuKα","","0.117","0.0775","","","0.1877","0.2111","","","","","","0.941","","","","has coordinates","260088","2020-12-22","22:25:45",""
"4518343","9.1022","0.0009","11.2466","0.0011","27.186","0.003","90","","90","","90","","2783","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B O5 -","- C31 H35 B O5 -","- C124 H140 B4 O20 -","4","1","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","0.71073","MoKα","","0.0472","0.0374","","","0.0907","0.0974","","","","","","1.033","","","","has coordinates","260089","2020-12-22","22:26:07",""
"4518345","30.933","0.0007","17.5225","0.0006","24.1606","0.0007","90","","92.0449","0.001","90","","13087.3","0.7","113","2","113","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C472 H300 Cl72 F48 N16 O66 Rh8 S32 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0897","0.0604","","","0.1479","0.179","","","","","","1.071","","","","has coordinates,has disorder","260175","2020-12-28","22:19:25",""
"4518346","14.4646","0.0003","23.7613","0.0005","26.3686","0.0006","90","","90","","90","","9062.8","0.3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C392 H264 Cl24 F48 N16 O56 Rh8 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0988","0.0529","","","0.1018","0.1393","","","","","","1.169","","","","has coordinates","260176","2020-12-28","22:19:53",""
"4518347","10.4116","0.0004","15.2831","0.0003","16.3622","0.0005","71.608","0.0013","89.077","0.0014","85.189","0.003","2461.74","0.13","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","1","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0726","0.0496","","","0.1037","0.1146","","","","","","1.017","","","","has coordinates","260177","2020-12-28","22:20:10",""
"4518363","20.0016","0.0005","18.5063","0.0005","18.5977","0.0005","90","","105.98","0.0018","90","","6618","0.3","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H23 Cl F12 Fe N6 O P2 -","- C29.5 H23 Cl F12 Fe N6 O P2 -","- C236 H184 Cl8 F96 Fe8 N48 O8 P16 -","8","1","","Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO","ACS Catalysis","2020","","","615","626","10.1021/acscatal.0c03798","","","1.5418","CuKα","","0.0856","0.0627","","0.1588","0.1451","0.1583","","","","","","1.0209","","","","has coordinates","260202","2020-12-29","22:30:51",""
"4518364","13.7127","0.0002","17.4292","0.0003","16.0993","0.0002","90","","107.938","0.001","90","","3660.72","0.1","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl2 F12.43 Fe N7 P2 -","- C31 H27 Cl2 F12.43 Fe N7 P2 -","- C124 H108 Cl8 F49.72 Fe4 N28 P8 -","4","1","","Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO","ACS Catalysis","2020","","","615","626","10.1021/acscatal.0c03798","","","1.54178","CuKα","","0.086","0.0661","","","0.1543","0.1662","","","","","","1.028","","","","has coordinates,has disorder","260203","2020-12-29","22:31:38",""
"4518384","16.577","0.004","15.944","0.004","15.596","0.004","90","","99.187","0.007","90","","4069.2","1.8","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","Keinan182b (Ofer)","","","- C44 H54 Cl2 N O3 P Ru -","- C44 H54 Cl2 N O3 P Ru -","- C176 H216 Cl8 N4 O12 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel","Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands","ACS Catalysis","2020","","","703","709","10.1021/acscatal.0c04909","","","0.71073","MoKα","","0.1332","0.0723","","","0.1571","0.1896","","","","","","0.971","","","","has coordinates,has disorder","260296","2020-12-31","22:24:09",""
"4518385","12.6005","0.0015","18.784","0.002","21.757","0.002","90","","101.619","0.003","90","","5044.1","0.9","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Keinan168b (Ofer Reany)","","","- C59 H60 Cl2 N O3 P Ru -","- C59 H60 Cl2 N O3 P Ru -","- C236 H240 Cl8 N4 O12 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel","Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands","ACS Catalysis","2020","","","703","709","10.1021/acscatal.0c04909","","","0.71073","MoKα","","0.1967","0.0741","","","0.1111","0.1468","","","","","","0.962","","","","has coordinates","260297","2020-12-31","22:24:41",""
"4518406","6.7743","0.0008","23.418","0.006","8.802","0.002","90","","101.248","0.015","90","","1369.5","0.5","110.82","0.11","110.82","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang","Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization","ACS Catalysis","2021","","","1570","1577","10.1021/acscatal.0c05156","","","1.3415","GaKα","","0.0465","0.0414","","","0.1297","0.1352","","","","","","1.099","","","","has coordinates","261055","2021-01-19","22:30:51",""
"4518407","7.1212","0.00006","13.75566","0.00014","18.96034","0.00018","90","","90","","90","","1857.29","0.03","99.9","0.4","99.9","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 B0 F0 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang","Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization","ACS Catalysis","2021","","","1570","1577","10.1021/acscatal.0c05156","","","1.3415","GaKα","","0.0287","0.0282","","","0.0735","0.0737","","","","","","1.046","","","","has coordinates","261056","2021-01-19","22:31:16",""
"4518411","9.172","0.003","11.675","0.003","12.09","0.004","91.099","0.005","93.667","0.005","105.21","0.005","1245.9","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N2 O5 S2 -","- C27 H30 N2 O5 S2 -","- C54 H60 N4 O10 S4 -","2","1","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","","0.71073","MoKα","","0.1021","0.0656","","","0.165","0.1801","","","","","","0.969","","","","has coordinates","261115","2021-01-21","22:22:14",""
"4518412","12.9016","0.0004","9.0322","0.0002","12.9338","0.0003","90","","105.257","0.003","90","","1454.05","0.07","105","9","105","9","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H52 Br2 F2 N4 O8 S4 -","- C52 H52 Br2 F2 N4 O8 S4 -","- C52 H52 Br2 F2 N4 O8 S4 -","1","0.5","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","x-ray","1.54184","CuKα","","0.0802","0.0742","","","0.189","0.1931","","","","","","1.036","","","","has coordinates,has disorder","261116","2021-01-21","22:22:40",""
"4518413","9.35619","0.00004","16.99","0.00007","17.21824","0.00008","90","","90","","90","","2737.04","0.02","101","2","101","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N2 O4 S2 -","- C27 H30 Cl2 N2 O4 S2 -","- C108 H120 Cl8 N8 O16 S8 -","4","1","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","x-ray","1.54184","CuKα","","0.0285","0.0267","","","0.0669","0.0684","","","","","","1.043","","","","has coordinates","261117","2021-01-21","22:23:21",""
"4518414","12.185","0.003","12.529","0.004","14.695","0.004","82.566","0.005","83.909","0.005","87.659","0.005","2211.2","1.1","203","","203","","","","","","","","","7","P -1","-P 1","2","","","","- C22.5 H19 Br Cl N O4 S -","- C22.5 H19 Br Cl N O4 S -","- C90 H76 Br4 Cl4 N4 O16 S4 -","4","2","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","","0.71073","MoKα","","0.1056","0.0724","","","0.2194","0.2345","","","","","","1.049","","","","has coordinates","261118","2021-01-21","22:23:49",""
"4518420","9.9196","0.0003","11.7763","0.0003","21.4011","0.0006","90","","90","","90","","2499.99","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","'((2R,3S,4S,6S)-3-acetoxy-4-(picolinamido)-6-(2,3,4-trimethoxyphenyl) tetrahydro-2H-pyran-2-yl)methyl acetate'","","","- C25 H30 N2 O9 -","- C25 H30 N2 O9 -","- C100 H120 N8 O36 -","4","1","","Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides","ACS Catalysis","2021","","","1818","1826","10.1021/acscatal.0c05052","","x-ray","0.71073","MoKα","","0.0535","0.0422","","","0.1093","0.1128","","","","","","1.056","","","","has coordinates,has disorder","261235","2021-01-26","22:25:33",""
"4518421","10.0246","0.0004","11.6273","0.0004","21.2713","0.0008","90","","90","","90","","2479.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'((2R,3S,4S,6S)-3-acetoxy-6-(4-isopropylphenyl)- 4-(picolinamido)tetrahydro-2H-pyran-2-yl)methyl acetate'","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","1","","Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides","ACS Catalysis","2021","","","1818","1826","10.1021/acscatal.0c05052","","x-ray","0.71073","MoKα","","0.0613","0.051","","","0.1383","0.1446","","","","","","1.042","","","","has coordinates","261236","2021-01-26","22:25:57",""
"4518422","8.4774","0.0001","10.9811","0.0001","18.1554","0.0001","90","","90","","90","","1690.11","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia","Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives","ACS Catalysis","2021","","","1827","1832","10.1021/acscatal.0c05020","","x-ray","1.54184","CuKα","","0.0229","0.0227","","","0.0587","0.0588","","","","","","1.054","","","","has coordinates","261237","2021-01-26","22:26:32",""
"4518423","9.7067","0.0001","9.7067","0.0001","39.2119","0.0003","90","","90","","120","","3199.57","0.05","100","0.1","100","0.1","","","","","","","","5","P 65","P 65","170","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C138 H162 N6 O24 S6 -","6","1","","Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia","Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives","ACS Catalysis","2021","","","1827","1832","10.1021/acscatal.0c05020","","x-ray","1.54184","CuKα","","0.0249","0.0248","","","0.0632","0.0632","","","","","","1.058","","","","has coordinates","261238","2021-01-26","22:26:57",""
"4518426","9.4521","0.0005","26.2261","0.0015","11.8032","0.0007","90","","103.62","0.002","90","","2843.6","0.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 O4 Si -","- C32 H34 O4 Si -","- C128 H136 O16 Si4 -","4","1","","Ni, Dongshun; Brown, M. Kevin","Three-Component Ni-Catalyzed Silylacylation of Alkenes","ACS Catalysis","2021","","","1858","1862","10.1021/acscatal.0c05449","","","0.71073","MoKα","","0.0837","0.0748","","","0.1145","0.1175","","","","","","1.272","","","","has coordinates","261271","2021-01-27","22:23:23",""
"4518429","10.1057","0.0011","12.677","0.0016","24.493","0.003","90","","98.332","0.009","90","","3104.7","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl3 O6 -","- C34 H29 Cl3 O6 -","- C136 H116 Cl12 O24 -","4","1","","Koshikawa, Takumi; Nagashima, Yuki; Tanaka, Ken","Gold-Catalyzed [3 + 2] Annulation, Carbenoid Transfer, and C‒H Insertion Cascade: Elucidation of Annulation Mechanisms via Benzopyrylium Intermediates","ACS Catalysis","2021","","","1932","1937","10.1021/acscatal.0c05394","","x-ray","0.71073","MoKα","","0.1333","0.0881","","","0.234","0.2661","","","","","","1.045","","","","has coordinates,has disorder","261309","2021-01-29","22:24:34",""
"4518430","15.2754","0.0016","28.119","0.003","10.416","0.0009","90","","90","","90","","4474","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","vs_7mem_db_coord","","","- C48 H52 Cl4 N2 O Ru Si -","- C48 H52 Cl4 N2 O Ru Si -","- C192 H208 Cl16 N8 O4 Ru4 Si4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0463","0.0412","","","0.1194","0.1275","","","","","","1.006","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518431","13.6581","0.0008","10.7783","0.0006","30.3452","0.0016","90","","96.306","0.001","90","","4440.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cl4 N3 O3 Ru S -","- C43 H51 Cl4 N3 O3 Ru S -","- C172 H204 Cl16 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0642","0.0452","","","0.1236","0.1341","","","","","","0.987","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518432","21.747","0.007","16.485","0.005","23.171","0.008","90","","90","","90","","8307","5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","vs_db_vs_nts_6mem","","","- C41 H47 Cl4 N3 O2 Ru S -","- C41 H47 Cl4 N3 O2 Ru S -","- C328 H376 Cl32 N24 O16 Ru8 S8 -","8","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.2258","0.0924","","","0.1899","0.2371","","","","","","1.008","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518433","11.0039","0.0007","12.6857","0.0009","20.649","0.0015","101.995","0.002","101.394","0.002","106.335","0.002","2603.1","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","vs_nts_db_coord2","","","- C55 H67 Cl2 N3 O6 Ru S -","- C55 H67 Cl2 N3 O6 Ru S -","- C110 H134 Cl4 N6 O12 Ru2 S2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0349","0.0292","","","0.0872","0.1022","","","","","","1.162","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518434","12.269","0.004","13.206","0.004","13.74","0.004","103.978","0.008","96.479","0.009","116.864","0.007","1862.7","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl2 Fe N2 Ru -","- C42 H49 Cl2 Fe N2 Ru -","- C84 H98 Cl4 Fe2 N4 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.174","0.152","","","0.3805","0.3911","","","","","","2.544","","","","has coordinates,has disorder","262439","2021-03-04","02:51:52",""
"4518435","12.58","0.003","13.814","0.004","19.537","0.005","90.61","0.009","105.904","0.008","113.609","0.008","2963.8","1.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","vs_gh_2","","","- C59 H75 Cl4 N3 O7 Ru S -","- C59 H75 Cl4 N3 O7 Ru S -","- C118 H150 Cl8 N6 O14 Ru2 S2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.1357","0.0872","","","0.2108","0.2415","","","","","","1.203","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518436","11.6701","0.0009","29.6716","0.0019","13.7738","0.001","90","","93.446","0.002","90","","4760.8","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Cl2 N4 O4 Ru S2 -","- C48 H51 Cl2 N4 O4 Ru S2 -","- C192 H204 Cl8 N16 O16 Ru4 S8 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.1189","0.0708","","","0.1658","0.184","","","","","","1.126","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518437","10.2526","0.0009","12.923","0.0013","14.9304","0.0015","75.27","0.003","77.074","0.003","87.61","0.003","1864.5","0.3","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H52 Cl2 N2 O Ru -","- C41 H52 Cl2 N2 O Ru -","- C82 H104 Cl4 N4 O2 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0403","0.0346","","","0.0999","0.1068","","","","","","1.087","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518438","8.471","0.002","26.951","0.008","18.341","0.006","90","","97.843","0.009","90","","4148","2","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","venkata_Ru_Ts_coordination","","","- C40 H45 Cl4 N3 O2 Ru S -","- C40 H45 Cl4 N3 O2 Ru S -","- C160 H180 Cl16 N12 O8 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.2783","0.1342","","","0.2586","0.3254","","","","","","1.248","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518439","15.3127","0.0015","13.8064","0.0011","22.985","0.002","90","","91.3","0.003","90","","4858.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","vs_db_coord_6","","","- C46 H55 Cl6 N3 O2 Ru S -","- C46 H55 Cl6 N3 O2 Ru S -","- C184 H220 Cl24 N12 O8 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0711","0.053","","","0.1488","0.1696","","","","","","1.088","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518440","13.3662","0.0008","19.3514","0.0012","18.2778","0.0011","90","","107.451","0.002","90","","4510","0.5","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cl4 N3 O3 Ru S -","- C43 H52 Cl4 N3 O3 Ru S -","- C172 H208 Cl16 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.076","0.0579","","","0.1743","0.1901","","","","","","1.354","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518441","19.5436","0.0012","16.2686","0.001","25.2292","0.0014","90","","92.134","0.002","90","","8016","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H78 Cl10 N6 O4 Ru2 -","- C75 H78 Cl10 N6 O4 Ru2 -","- C300 H312 Cl40 N24 O16 Ru8 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.199","0.1476","","","0.31","0.3245","","","","","","1.879","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518442","11.9816","0.001","10.5576","0.0007","13.8098","0.0012","90","","93.972","0.003","90","","1742.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","vs_Ru_db_coord2","","","- C38 H46 Cl2 N2 Ru -","- C38 H46 Cl2 N2 Ru -","- C76 H92 Cl4 N4 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0437","0.0358","","","0.0995","0.1149","","","","","","0.599","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518443","10.9001","0.0007","16.3943","0.001","21.6403","0.0014","90","","98.664","0.002","90","","3823","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N3 O3 Ru S -","- C41 H42 Cl2 N3 O3 Ru S -","- C164 H168 Cl8 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.097","0.0497","","","0.1174","0.1417","","","","","","0.901","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518444","12.6853","0.0018","12.842","0.002","32.754","0.005","90","","96.636","0.004","90","","5300","1.4","200","2","200.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Cl2 N3 O3 Ru S -","- C48 H57 Cl2 N3 O3 Ru S -","- C192 H228 Cl8 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0626","0.0543","","","0.1286","0.133","","","","","","1.103","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518456","10.482","0.002","11.48","0.002","12.182","0.002","109.71","0.03","102.2","0.03","98.68","0.03","1308.9","0.6","225","2","225","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H49 Co P2 -","- C26 H49 Co P2 -","- C52 H98 Co2 P4 -","2","1","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.7","synchrotron","","0.0543","0.0506","","","0.128","0.1311","","","","","","1.057","","","","has coordinates","261401","2021-02-03","20:18:40",""
"4518457","9.289","0.0019","9.1","0.0018","16.695","0.003","90","","91.33","0.03","90","","1410.8","0.5","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 Co P2 -","- C29 H48 Co P2 -","- C58 H96 Co2 P4 -","2","0.5","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.73","synchrotron","","0.0901","0.0664","","","0.1893","0.2104","","","","","","1.15","","","","has coordinates,has disorder","261402","2021-02-03","20:19:09",""
"4518458","9.8781","0.0005","20.7751","0.0013","20.9768","0.0012","90","","92.271","0.002","90","","4301.4","0.4","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 Co P4 -","- C52 H49 Co P4 -","- C208 H196 Co4 P16 -","4","1","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.71073","MoKα","","0.0649","0.0355","","","0.0687","0.0756","","","","","","1.051","","","","has coordinates","261403","2021-02-03","20:19:41",""
"4518459","9.1792","0.0003","13.8808","0.0004","23.1857","0.0008","90","","90","","90","","2954.2","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 Co I2 P2 -","- C26 H48 Co I2 P2 -","- C104 H192 Co4 I8 P8 -","4","1","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.71073","MoKα","","0.0466","0.0294","","","0.0486","0.0532","","","","","","1.062","","","","has coordinates","261404","2021-02-03","20:20:06",""
"4518460","16.485","0.003","24.296","0.004","24.715","0.004","90","","90","","90","","9899","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 F N2 O7 -","- C37 H35 F N2 O7 -","- C444 H420 F12 N24 O84 -","12","3","","Tang, Xiaodong; Tan, Chuan Xiang Alvin; Chan, Wai-Lun; Zhang, Fuhao; Zheng, Wenrui; Lu, Yixin","Dielectrophilic Allenic Ketone-Enabled [4 + 2] Annulation with 3,3’-Bisoxindoles: Enantioselective Creation of Two Contiguous Quaternary Stereogenic Centers","ACS Catalysis","2021","","","1361","1367","10.1021/acscatal.0c05225","","","1.54178","CuKα","","0.0674","0.066","","","0.1824","0.1839","","","","","","1.049","","","","has coordinates,has disorder","261405","2021-02-03","20:21:34",""
"4518461","13.9071","0.0008","9.5864","0.0005","16.966","0.001","90","","100.194","0.002","90","","2226.2","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Mo, Jiayu; Messinis, Antonis M.; Oliveira, João C. A.; Demeshko, Serhiy; Meyer, Franc; Ackermann, Lutz","Iron-Catalyzed Triazole-Enabled C‒H Activation with Bicyclopropylidenes","ACS Catalysis","2021","","","1053","1064","10.1021/acscatal.0c04748","","","0.71073","MoKα","","0.0866","0.0774","","","0.208","0.217","","","","","","1.087","","","","has coordinates","261406","2021-02-03","20:22:00",""
"4518462","5.781","0.0004","9.7023","0.0005","56.176","0.003","90","","90","","90","","3150.9","0.3","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Br O2 -","- C36 H51 Br O2 -","- C144 H204 Br4 O8 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0601","0.0546","","","0.1188","0.1226","","","","","","1.077","","","","has coordinates","261407","2021-02-03","20:22:40",""
"4518463","4.6608","0.0002","8.0082","0.0003","22.8683","0.0009","90","","90","","90","","853.55","0.06","98","2","98","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N -","- C11 H9 N -","- C44 H36 N4 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0392","0.0389","","","0.0839","0.0841","","","","","","1.218","","","","has coordinates","261408","2021-02-03","20:23:03",""
"4518464","10.3922","0.0006","8.5924","0.0004","13.4648","0.0008","90","","112.087","0.007","90","","1114.09","0.12","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N -","- C15 H11 N -","- C60 H44 N4 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0446","0.0425","","","0.0974","0.0986","","","","","","1.099","","","","has coordinates","261409","2021-02-03","20:23:26",""
"4518465","11.807","0.0002","11.5282","0.00017","7.74435","0.00011","90","","108.688","0.0017","90","","998.54","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","1.54184","CuKα","","0.0367","0.034","","","0.09","0.0922","","","","","","1.011","","","","has coordinates","261410","2021-02-03","20:23:49",""
"4518466","16.6487","0.0007","5.1944","0.0002","11.2609","0.0004","90","","101.125","0.004","90","","955.54","0.07","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0559","0.0539","","","0.1148","0.116","","","","","","1.229","","","","has coordinates","261411","2021-02-03","20:24:13",""
"4518467","16.8262","0.0002","19.3356","0.0002","41.108","0.0004","90","","90","","90","","13374.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H98 Ag2 O6 P2 -","- C63 H98 Ag2 O6 P2 -","- C504 H784 Ag16 O48 P16 -","8","1","","Tlahuext-Aca, Adrian; Hartwig, John F.","Site-Selective Silver-Catalyzed C‒H Bond Deuteration of Five-Membered Aromatic Heterocycles and Pharmaceuticals","ACS Catalysis","2021","","","1119","1127","10.1021/acscatal.0c04917","","","0.71073","MoKα","","0.048","0.0386","","","0.0963","0.0999","","","","","","1.023","","","","has coordinates","261412","2021-02-03","20:25:39",""
"4518468","5.591","0.0011","21.778","0.004","12.608","0.003","90","","99.18","0.03","90","","1515.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-pyridone","","- C18 H17 N O S2 -","- C18 H17 N O S2 -","- C72 H68 N4 O4 S8 -","4","1","","Wang, Rong-Hua; Li, Jiang-Fei; Li, Yue; Qi, Shao-Long; Zhang, Tao; Luan, Yu-Xin; Ye, Mengchun","Selective C(sp3)‒H Cleavage of Enamides for Synthesis of 2-Pyridones via Ligand-Enabled Ni‒Al Bimetallic Catalysis","ACS Catalysis","2021","11","2","858","864","10.1021/acscatal.0c04585","","","0.71073","MoKα","","0.0665","0.0517","","","0.1603","0.1787","","","","","","1.113","","","","has coordinates","261413","2021-02-03","20:26:27",""
"4518469","12.5558","0.0019","12.2352","0.0018","21.214","0.003","90","","91.478","0.005","90","","3257.9","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 I N3 O5 S -","- C32 H40 I N3 O5 S -","- C128 H160 I4 N12 O20 S4 -","4","2","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0355","0.0322","","","0.0793","0.0817","","","","","","1.043","","","","has coordinates,has disorder","261414","2021-02-03","20:26:54",""
"4518470","22.7379","0.0012","7.3689","0.0004","14.3911","0.0007","90","","91.61","0.002","90","","2410.3","0.2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H28 N2 O5 S -","- C27 H28 N2 O5 S -","- C108 H112 N8 O20 S4 -","4","1","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0322","0.0301","","","0.0732","0.0747","","","","","","1.05","","","","has coordinates","261415","2021-02-03","20:27:22",""
"4518471","9.912","0.002","17.662","0.004","10.435","0.002","90","","114.281","0.002","90","","1665.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H2 B F13 -","- C19 H2 B F13 -","- C76 H8 B4 F52 -","4","1","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0374","0.0349","","","0.1134","0.1159","","","","","","1.056","","","","has coordinates","261416","2021-02-03","20:28:06",""
"4518472","16.0009","0.0012","4.7685","0.0004","16.6499","0.0012","90","","116.991","0.0008","90","","1132.02","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H3 B F8 O -","- C13 H3 B F8 O -","- C52 H12 B4 F32 O4 -","4","1","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0374","0.0329","","","0.0934","0.0981","","","","","","1.059","","","","has coordinates","261416","2021-02-03","20:28:07",""
"4518473","7.1648","0.0019","12.225","0.003","8.905","0.002","90","","110.083","0.003","90","","732.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H8 F8 Sn -","- C15 H8 F8 Sn -","- C30 H16 F16 Sn2 -","2","0.5","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0261","0.0258","","","0.1012","0.1015","","","","","","1.163","","","","has coordinates","261416","2021-02-03","20:28:07",""
"4518474","11.6772","0.001","13.7805","0.0009","16.5498","0.0012","90","","90.116","0.004","90","","2663.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C104 H152 N8 O32 -","8","2","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0528","0.0468","","","0.1182","0.127","","","","","","1.111","","","","has coordinates","261417","2021-02-03","20:28:43",""
"4518475","8.579","0.003","9.584","0.003","36.054","0.011","90","","94.669","0.012","90","","2954.6","1.7","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O4 -","- C32 H52 O4 -","- C128 H208 O16 -","4","2","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0421","0.0395","","","0.0995","0.1009","","","","","","1.121","","","","has coordinates","261418","2021-02-03","20:29:08",""
"4518476","9.8509","0.0003","22.6483","0.0007","12.9093","0.0003","90","","90","","90","","2880.14","0.14","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","1","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0529","0.0419","","","0.12","0.1283","","","","","","1.091","","","","has coordinates","261419","2021-02-03","20:29:45",""
"4518493","27.2621","0.0009","33.0868","0.0011","13.1605","0.0004","90","","90","","90","","11871","0.7","296.15","","296.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C98 H140 N6 O12 P2 Pd2 S2 -","- C98 H140 N6 O12 P2 Pd2 S2 -","- C392 H560 N24 O48 P8 Pd8 S8 -","4","1","","Hang, Chao; Ramirez, Antonio; Chan, Collin; Hsiao, Yi; DelMonte, Albert J.; Simmons, Eric M.","Mechanistic Studies of a Pd-Catalyzed Direct Arylation En Route to Beclabuvir: Dual Role of a Tetramethylammonium Cation and an Unusual Turnover-Limiting Step","ACS Catalysis","2021","","","2460","2472","10.1021/acscatal.0c05533","","x-ray","1.54178","CuKα","","0.0447","0.0433","","","0.1233","0.1259","","","","","","1.092","","","","has coordinates,has disorder","261869","2021-02-10","22:24:04",""
"4518501","17.1482","0.0014","16.0706","0.0013","21.2524","0.0017","90","","90","","90","","5856.8","0.8","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H46 B F4 Ir O P2 -","- C24 H46 B F4 Ir O P2 -","- C192 H368 B8 F32 Ir8 O8 P16 -","8","1","","Shada, Arun Dixith Reddy; Miller, Alexander J. M.; Emge, Thomas J.; Goldman, Alan S.","Catalytic Dehydrogenation of Alkanes by PCP‒Pincer Iridium Complexes Using Proton and Electron Acceptors","ACS Catalysis","2021","","","3009","3016","10.1021/acscatal.0c05160","","","0.71073","MoKα","","0.0456","0.0323","","","0.0693","0.0748","","","","","","1.049","","","","has coordinates,has disorder","262165","2021-02-23","22:23:34",""
"4518502","10.2063","0.0007","10.6518","0.0008","20.6939","0.0017","90","","102.966","0.007","90","","2192.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F3 N3 O3 S -","- C22 H22 F3 N3 O3 S -","- C88 H88 F12 N12 O12 S4 -","4","1","","Kim, Yeong Bum; Won, Joonghee; Lee, Jeonghyo; Kim, Junho; Zhou, Bingwei; Park, Jung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Ni-Catalyzed Intermolecular C(sp3)‒H Amidation Tuned by Bidentate Directing Groups","ACS Catalysis","2021","","","3067","3072","10.1021/acscatal.1c00070","","","0.71073","MoKα","","0.1296","0.0712","","","0.1255","0.1447","","","","","","1.086","","","","has coordinates","262166","2021-02-23","22:23:58",""
"4518507","18.1379","0.0003","10.3208","0.0002","14.2997","0.0002","90","","99.566","0.002","90","","2639.65","0.08","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 B2 F2 O4 -","- C30 H36 B2 F2 O4 -","- C120 H144 B8 F8 O16 -","4","0.5","","Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P.","Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation","ACS Catalysis","2021","","","3190","3197","10.1021/acscatal.1c00282","","x-ray","1.54178","CuKα","","0.0591","0.0481","","","0.1241","0.1325","","","","","","1.02","","","","has coordinates","262277","2021-02-26","22:25:48",""
"4518508","10.318","0.0002","29.4659","0.0008","6.7167","0.0002","90","","93.252","0.002","90","","2038.78","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H33 B2 F O2 -","- C23 H33 B2 F O2 -","- C92 H132 B8 F4 O8 -","4","1","","Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P.","Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation","ACS Catalysis","2021","","","3190","3197","10.1021/acscatal.1c00282","","x-ray","1.54184","CuKα","","0.0588","0.056","","","0.146","0.1483","","","","","","1.039","","","","has coordinates,has disorder","262278","2021-02-26","22:26:11",""
"4518509","11.0122","0.0003","14.9674","0.0004","17.6793","0.0005","90","","97.4462","0.0014","90","","2889.4","0.14","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Hf N2 -","- C31 H44 Hf N2 -","- C124 H176 Hf4 N8 -","4","1","","Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J.","Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations","ACS Catalysis","2021","","","3239","3250","10.1021/acscatal.0c04678","","","1.54178","CuKα","","0.0231","0.0207","","","0.05","0.0513","","","","","","1.039","","","","has coordinates","262311","2021-02-27","22:22:17",""
"4518510","17.2803","0.0012","9.5964","0.0006","33.993","0.002","90","","90.416","0.004","90","","5636.9","0.6","100","2","99.82","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H42 Hf N2 -","- C30 H42 Hf N2 -","- C240 H336 Hf8 N16 -","8","2","","Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J.","Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations","ACS Catalysis","2021","","","3239","3250","10.1021/acscatal.0c04678","","","0.71073","MoKα","","0.1411","0.0949","","","0.2218","0.2365","","","","","","1.102","","","","has coordinates","262312","2021-02-27","22:22:41",""
"4518511","24.072","0.005","14.465","0.004","15.452","0.004","90","","125.76","0.014","90","","4366","2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H42 F6 Fe N10 O7 S2 -","- C33 H42 F6 Fe N10 O7 S2 -","- C132 H168 F24 Fe4 N40 O28 S8 -","4","0.5","","Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc","Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue","ACS Catalysis","2021","","","3257","3267","10.1021/acscatal.0c04518","","","0.71073","MoKα","","0.0764","0.0595","","","0.1811","0.1967","","","","","","1.067","","","","has coordinates,has disorder","262321","2021-02-28","22:22:01",""
"4518512","13.5494","0.0005","14.2148","0.0003","23.1891","0.0008","90","","90.538","0.003","90","","4466.1","0.2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl2 F6 Fe N8 O8 S2 -","- C31 H38 Cl2 F6 Fe N8 O8 S2 -","- C124 H152 Cl8 F24 Fe4 N32 O32 S8 -","4","1","","Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc","Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue","ACS Catalysis","2021","","","3257","3267","10.1021/acscatal.0c04518","","","0.71073","MoKα","","0.1578","0.08","","","0.1699","0.2129","","","","","","1.035","","","","has coordinates","262321","2021-02-28","22:22:02",""
"4518514","11.657","0.002","32.375","0.006","12.033","0.002","90","","97.304","0.002","90","","4504.3","1.4","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 B11 Cl11 F N2 Si Ti -","- C26 H45 B11 Cl11 F N2 Si Ti -","- C104 H180 B44 Cl44 F4 N8 Si4 Ti4 -","4","1","","Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy","Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts","ACS Catalysis","2021","11","6","3335","3342","10.1021/acscatal.0c04228","","","0.71073","MoKα","","0.0558","0.0456","","","0.0886","0.0983","","","","","","1.198","","","","has coordinates,has disorder","263578","2021-04-04","09:57:33",""
"4518515","12.1095","0.0013","15.0642","0.0017","17.4165","0.0019","83.88","0.001","75.362","0.001","85.783","0.001","3052.9","0.6","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H69 B11 Cl11 F N2 Si2 Ti2 -","- C40 H69 B11 Cl11 F N2 Si2 Ti2 -","- C80 H138 B22 Cl22 F2 N4 Si4 Ti4 -","2","1","","Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy","Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts","ACS Catalysis","2021","11","6","3335","3342","10.1021/acscatal.0c04228","","","0.71073","MoKα","","0.0493","0.0332","","","0.0725","0.0829","","","","","","1.068","","","","has coordinates","263578","2021-04-04","09:57:33",""
"4518521","8.2209","0.0013","31.649","0.005","15.344","0.002","90","","102.728","0.002","90","","3894.2","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 Cr0.5 N2 O2.5 P0.5 -","- C21.5 H21 Cr0.5 N2 O2.5 P0.5 -","- C172 H168 Cr4 N16 O20 P4 -","8","2","","Hong, Young Hyun; Jang, Yuri; Ezhov, Roman; Seo, Mi Sook; Lee, Yong-Min; Pandey, Bhawana; Hong, Seungwoo; Pushkar, Yulia; Fukuzumi, Shunichi; Nam, Wonwoo","A Highly Reactive Chromium(V)‒Oxo TAML Cation Radical Complex in Electron Transfer and Oxygen Atom Transfer Reactions","ACS Catalysis","2021","","","2889","2901","10.1021/acscatal.1c00079","","","0.71073","MoKα","","0.1302","0.0641","","","0.1652","0.2092","","","","","","0.8235","","","","has coordinates","262406","2021-03-03","20:33:22",""
"4518522","18.5023","0.0007","7.8493","0.0003","22.7256","0.0007","90","","90","","90","","3300.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun","Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition","ACS Catalysis","2021","","","2684","2690","10.1021/acscatal.0c05515","","x-ray","1.54184","CuKα","","0.0695","0.0565","","","0.1526","0.165","","","","","","1.048","","","","has coordinates","262407","2021-03-03","20:34:24",""
"4518523","28.1259","0.0009","7.5367","0.0003","20.6213","0.0005","90","","104.756","0.003","90","","4227.1","0.2","173","0.1","173","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H34 Br8 N2 O6 -","- C40 H34 Br8 N2 O6 -","- C160 H136 Br32 N8 O24 -","4","1","","Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun","Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition","ACS Catalysis","2021","","","2684","2690","10.1021/acscatal.0c05515","","x-ray","1.54184","CuKα","","0.0276","0.0258","","","0.0634","0.0642","","","","","","1.07","","","","has coordinates","262408","2021-03-03","20:34:48",""
"4518524","28.027","0.002","10.1457","0.0007","12.2742","0.0009","90","","114.564","0.001","90","","3174.3","0.4","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CHTosMe","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C120 H176 N16 O16 S8 -","8","1","","Coin, Guillaume; Dubourdeaux, Patrick; Avenier, Frédéric; Patra, Ranjan; Castro, Ludovic; Lebrun, Colette; Bayle, Pierre-Alain; Pécaut, Jacques; Blondin, Geneviève; Maldivi, Pascale; Latour, Jean-Marc","Experiments and DFT Computations Combine to Decipher Fe-Catalyzed Amidine Synthesis through Nitrene Transfer and Nitrile Insertion","ACS Catalysis","2021","11","4","2253","2266","10.1021/acscatal.0c03791","","","0.71073","MoKα","","0.0665","0.0384","","","0.1003","0.1081","","","","","","0.925","","","","has coordinates","262409","2021-03-03","20:35:29",""
"4518525","10.30461","0.00016","7.07541","0.00011","13.213","0.0002","90","","92.0022","0.0014","90","","962.76","0.03","240","0.1","240","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Wu, Liexin; Xu, Huiying; Gao, Hui; Li, Liping; Chen, Weijie; Zhou, Zhi; Yi, Wei","Chiral Allylic Amine Synthesis Enabled by the Enantioselective CpXRh(III)-Catalyzed Carboaminations of 1,3-Dienes","ACS Catalysis","2021","11","4","2279","2287","10.1021/acscatal.0c04777","","x-ray","1.54184","CuKα","","0.0333","0.0324","","","0.0892","0.0905","","","","","","1.03","","","","has coordinates","262410","2021-03-03","20:37:47",""
"4518526","12.9092","0.0008","22.3669","0.0012","18.0189","0.0011","90","","101.288","0.002","90","","5102.1","0.5","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(TpAd,iPr)Ca(o-MeO-C6H3-Br-p)]","","","- C55 H76 B Br Ca N6 O -","- C55 H76 B Br Ca N6 O -","- C220 H304 B4 Br4 Ca4 N24 O4 -","4","1","","Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua","Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane","ACS Catalysis","2021","11","4","2041","2046","10.1021/acscatal.0c05440","","","0.71073","MoKα","","0.0716","0.0581","","","0.1509","0.1608","","","","","","1.046","","","","has coordinates","262411","2021-03-03","20:38:30",""
"4518527","13.0462","0.0007","21.9662","0.0009","17.99","0.0009","90","","104.112","0.002","90","","4999.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(TpAd,iPr)Ca(o-MeO-CH2C6H4)]","","","- C56 H79 B Ca N6 O -","- C56 H79 B Ca N6 O -","- C224 H316 B4 Ca4 N24 O4 -","4","1","","Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua","Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane","ACS Catalysis","2021","11","4","2041","2046","10.1021/acscatal.0c05440","","","0.71073","MoKα","","0.0809","0.059","","","0.1388","0.1562","","","","","","1.028","","","","has coordinates,has disorder","262411","2021-03-03","20:38:31",""
"4518533","12.771","0.0006","12.1463","0.0005","9.6862","0.0004","90","","92.048","0.004","90","","1501.57","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Yi, Ming-Jun; Zhang, Huan-Xin; Xiao, Teng-Fei; Zhang, Ji-Hua; Feng, Zhi-Tao; Wei, Li-Pu; Xu, Guo-Qiang; Xu, Peng-Fei","Photoinduced Metal-Free α-C(sp3)‒H Carbamoylation of Saturated Aza-Heterocycles via Rationally Designed Organic Photocatalyst","ACS Catalysis","2021","11","6","3466","3472","10.1021/acscatal.1c00242","","x-ray","1.54184","CuKα","","0.0646","0.0475","","","0.1288","0.1428","","","","","","1.043","","","","has coordinates","263580","2021-04-04","09:57:46",""
"4518535","8.3926","0.0004","23.5709","0.0011","14.3271","0.0007","90","","92.6796","0.0014","90","","2831.1","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Cl N O3 P S -","- C25 H47 Cl N O3 P S -","- C100 H188 Cl4 N4 O12 P4 S4 -","4","1","","Hu, Rong-Bin; Lam, Ying-Pong; Ng, Wing-Hin; Wong, Chun-Yuen; Yeung, Ying-Yeung","Zwitterion-Induced Organic‒Metal Hybrid Catalysis in Aerobic Oxidation","ACS Catalysis","2021","11","6","3498","3506","10.1021/acscatal.0c05684","","","0.71073","MoKα","","0.0601","0.0488","","","0.1357","0.1479","","","","","","1.057","","","","has coordinates,has disorder","263576","2021-04-04","09:57:09",""
"4518536","10.4612","0.0006","6.7009","0.0003","15.9349","0.001","90","","102.822","0.006","90","","1089.17","0.11","150","2","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C50 H60 O6 Si2 -","2","1","","Zhang, Liangliang; Oestreich, Martin","Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile","ACS Catalysis","2021","11","6","3516","3522","10.1021/acscatal.1c00436","","x-ray","1.54184","CuKα","","0.0537","0.0414","","","0.0853","0.0938","","","","","","1.061","","","","has coordinates","263579","2021-04-04","09:57:40",""
"4518544","22.5321","0.0006","8.3857","0.0002","22.2758","0.0005","90","","100.736","0.003","90","","4135.28","0.18","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C176 H192 Br8 N8 O24 S8 -","8","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","x-ray","1.54184","CuKα","","0.0524","0.0471","","","0.1216","0.1285","","","","","","1.035","","","","has coordinates","263581","2021-04-04","09:57:58",""
"4518545","8.3815","0.0002","16.1769","0.0003","28.5494","0.0006","90","","90","","90","","3870.92","0.14","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Br2 N2 O6 S2 -","- C40 H40 Br2 N2 O6 S2 -","- C160 H160 Br8 N8 O24 S8 -","4","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","x-ray","1.54184","CuKα","","0.0602","0.052","","","0.138","0.1704","","","","","","1.111","","","","has coordinates","263581","2021-04-04","09:57:58",""
"4518546","6.923","0.003","21.697","0.01","15.616","0.008","90","","90","","90","","2345.7","1.9","273","2","273","2","","","","","","","","4","C 2 e b","C -2ac 2","41","","","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","","0.71073","MoKα","","0.1445","0.0868","","","0.1951","0.2354","","","","","","1.071","","","","has coordinates,has disorder","263581","2021-04-04","09:57:58",""
"4518548","9.0104","0.0006","16.6022","0.001","18.9828","0.0011","90","","90","","90","","2839.7","0.3","150","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","z","","- C32 H33 N O5 S2 -","- C32 H33 N O5 S2 -","- C128 H132 N4 O20 S8 -","4","1","","Zhang, Yuanyuan; Liang, Yaoyu; Zhao, Xiaodan","Chiral Selenide-Catalyzed, Highly Regio- and Enantioselective Intermolecular Thioarylation of Alkenes with Phenols","ACS Catalysis","2021","11","6","3755","3761","10.1021/acscatal.1c00296","","","1.34138","GaKα","","0.0414","0.0359","","","0.0902","0.0924","","","","","","1.091","","","","has coordinates","263577","2021-04-04","09:57:20",""
"4518561","10.5311","0.0003","12.1035","0.0003","14.8941","0.0004","90","","100.65","0.003","90","","1865.75","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H61 Al N2 O3 -","- C38 H61 Al N2 O3 -","- C76 H122 Al2 N4 O6 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0551","0.0432","","","0.0932","0.1056","","","","","","1.034","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518562","14.2817","0.0003","19.6139","0.0002","16.3139","0.0003","90","","112.131","0.002","90","","4233.16","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H124 Al2 N4 O6 -","- C87 H124 Al2 N4 O6 -","- C174 H248 Al4 N8 O12 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0631","0.0555","","","0.1442","0.1582","","","","","","1.036","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518563","14.7009","0.0005","19.8009","0.0006","15.5738","0.0006","90","","112.532","0.004","90","","4187.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83.25 H120.5 Al2 Cl2.5 N4 O6 -","- C82 H118 Al2 N4 O6 -","- C164 H236 Al4 N8 O12 -","2","0.5","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","0.71073","MoKα","","0.1134","0.0864","","","0.2313","0.2563","","","","","","1.03","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518564","11.7864","0.0009","12.0598","0.0008","16.8359","0.0012","90","","105.394","0.002","90","","2307.2","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl2 N3 Ni P -","- C22 H30 Cl2 N3 Ni P -","- C88 H120 Cl8 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0487","0.0379","","","0.1621","0.2046","","","","","","1.091","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518565","8.853","0.002","16.369","0.004","18.452","0.004","105.791","0.008","100.542","0.009","105.669","0.008","2380.6","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H32 Cl0 N3 Ni O P -","- C25 H32 N3 Ni O P -","- C100 H128 N12 Ni4 O4 P4 -","4","2","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0929","0.0471","","","0.1175","0.1405","","","","","","1.099","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518566","16.1382","0.0015","8.1442","0.0008","16.0627","0.0018","90","","118.179","0.003","90","","1860.9","0.3","120","2","119.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl N3 Ni P -","- C18 H25 Cl N3 Ni P -","- C72 H100 Cl4 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0576","0.0407","","","0.0903","0.0959","","","","","","1.078","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518567","14.2865","0.0015","11.363","0.0013","14.9046","0.0016","90","","109.571","0.004","90","","2279.8","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl2 N3 Ni O P -","- C21 H30 Cl2 N3 Ni O P -","- C84 H120 Cl8 N12 Ni4 O4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0405","0.0378","","","0.0958","0.0981","","","","","","1.09","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518568","12.1286","0.0008","12.4385","0.0008","13.4746","0.0009","90","","95.4","0.003","90","","2023.8","0.2","136","2","136","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N3 Ni P -","- C18 H26 Cl2 N3 Ni P -","- C72 H104 Cl8 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0447","0.0357","","","0.1462","0.1615","","","","","","1.028","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518571","5.836","0.0007","10.2615","0.0016","21.051","0.003","82.853","0.013","85.165","0.012","89.89","0.012","1246.4","0.3","291.51","0.1","291.51","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C54 H60 N8 O6 -","2","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.1103","0.0723","","","0.173","0.1947","","","","","","1.101","","","","has coordinates,has disorder","263583","2021-04-04","09:58:19",""
"4518572","31.7124","0.0014","6.29804","0.00019","22.6491","0.0005","90","","93.248","0.003","90","","4516.3","0.3","285.3","0.4","285.3","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N3 O3 -","- C25 H27 N3 O3 -","- C200 H216 N24 O24 -","8","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.065","0.0555","","","0.1483","0.1555","","","","","","1.034","","","","has coordinates","263583","2021-04-04","09:58:19",""
"4518573","6.407","0.0005","11.0997","0.0012","31.594","0.004","90","","91.726","0.008","90","","2245.8","0.4","287","1","287","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.1099","0.0693","","","0.1752","0.2085","","","","","","1.088","","","","has coordinates","263583","2021-04-04","09:58:19",""
"4518581","8.7423","0.0003","16.0218","0.0005","11.8664","0.0004","90","","103.672","0.001","90","","1615","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N O2 S -","- C19 H18 F N O2 S -","- C76 H72 F4 N4 O8 S4 -","4","1","","Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min","Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent","ACS Catalysis","2021","","","4372","4380","10.1021/acscatal.1c00240","","","0.71073","MoKα","","0.0483","0.0417","","","0.106","0.1119","","","","","","1.032","","","","has coordinates","263326","2021-03-25","22:26:48",""
"4518582","7.4865","0.0002","7.4865","0.0002","59.274","0.0019","90","","90","","90","","3322.17","0.16","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min","Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent","ACS Catalysis","2021","","","4372","4380","10.1021/acscatal.1c00240","","","0.71073","MoKα","","0.0786","0.0684","","","0.175","0.1823","","","","","","1.098","","","","has coordinates","263327","2021-03-25","22:27:16",""
"4518587","12.3397","0.0016","15.543","0.002","34.356","0.005","90","","90.699","0.002","90","","6588.9","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H154 Fe4 N2 O40 Ti8 -","- C102 H154 Fe4 N2 O40 Ti8 -","- C204 H308 Fe8 N4 O80 Ti16 -","2","0.5","","Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian","Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction","ACS Catalysis","2021","","","4510","4519","10.1021/acscatal.0c04495","","","0.71073","MoKα","","0.0888","0.0543","","","0.1454","0.1635","","","","","","1.009","","","","has coordinates","263418","2021-03-29","21:25:11",""
"4518588","31.653","0.006","14.083","0.003","20.207","0.004","90","","94.632","0.003","90","","8978","3","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H116 Fe2 O32 S2 Ti6 -","- C66 H116 Fe2 O32 S2 Ti6 -","- C264 H464 Fe8 O128 S8 Ti24 -","4","0.5","","Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian","Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction","ACS Catalysis","2021","","","4510","4519","10.1021/acscatal.0c04495","","","0.71073","MoKα","","0.0672","0.047","","","0.1331","0.1525","","","","","","1.051","","","","has coordinates","263419","2021-03-29","21:25:38",""
"4518597","8.8213","0.0004","10.1609","0.0004","11.288","0.0004","104.489","0.003","103.879","0.004","91.518","0.003","946.96","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N3 Ni O2 -","- C24 H19 N3 Ni O2 -","- C48 H38 N6 Ni2 O4 -","2","1","","Nohira, Itsuki; Chatani, Naoto","Nickel-Catalyzed Cross-Electrophile Coupling between C(sp2)‒F and C(sp2)‒Cl Bonds by the Reaction of ortho-Fluoro-Aromatic Amides with Aryl Chlorides","ACS Catalysis","2021","11","8","4644","4649","10.1021/acscatal.1c01102","","","1.54184","CuKα","","0.0513","0.048","","","0.1334","0.137","","","","","","1.085","","","","has coordinates","264815","2021-05-04","00:47:53",""
"4518598","6.961","0.003","12.032","0.005","16.96","0.006","90","","90","","90","","1420.5","1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.0731","0.0496","","","0.1302","0.155","","","","","","1.106","","","","has coordinates","263558","2021-04-03","19:52:30",""
"4518599","10.5656","0.0009","14.7742","0.0015","7.8958","0.0008","90","","94.428","0.004","90","","1228.8","0.2","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.2058","0.0972","","","0.1862","0.2366","","","","","","0.893","","","","has coordinates","263559","2021-04-03","19:52:53",""
"4518600","9.3825","0.001","9.86","0.0011","13.868","0.0012","90","","90","","90","","1282.9","0.2","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N3 O2 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.128","0.0639","","","0.0961","0.11","","","","","","1.073","","","","has coordinates","263561","2021-04-03","19:53:20",""
"4518601","11.006","0.002","14.517","0.003","16.17","0.003","67.282","0.005","77.986","0.006","89.059","0.006","2325","0.8","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H70 N6 O2 Ti -","- C48 H70 N6 O2 Ti -","- C96 H140 N12 O4 Ti2 -","2","1","","Manßen, Manfred; Deng, Danfeng; Zheng, Cameron H. M.; DiPucchio, Rebecca C.; Chen, Dafa; Schafer, Laurel L.","Ureate Titanium Catalysts for Hydroaminoalkylation: Using Ligand Design to Increase Reactivity and Utility","ACS Catalysis","2021","","","4550","4560","10.1021/acscatal.1c00014","","","0.71073","MoKα","","0.0544","0.0413","","","0.0993","0.1061","","","","","","1.019","","","","has coordinates","263562","2021-04-03","19:53:57",""
"4518602","11.3688","0.0009","15.8213","0.0004","22.0726","0.0009","90","","90","","90","","3970.2","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N6 O -","- C44 H56 N6 O -","- C176 H224 N24 O4 -","4","1","","Hohlman, Robert M.; Newmister, Sean A.; Sanders, Jacob N.; Khatri, Yogan; Li, Shasha; Keramati, Nikki R.; Lowell, Andrew N.; Houk, K. N.; Sherman, David H.","Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis","ACS Catalysis","2021","11","8","4670","4681","10.1021/acscatal.0c05656","","","1.54184","CuKα","","0.1088","0.0874","","","0.2313","0.2539","","","","","","1.017","","","","has coordinates,has disorder","264816","2021-05-04","00:48:03",""
"4518611","12.2212","0.0004","5.7554","0.0002","12.4922","0.0005","90","","115.284","0.004","90","","794.5","0.06","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui","Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity","ACS Catalysis","2021","","","5287","5293","10.1021/acscatal.1c00225","","x-ray","1.54184","CuKα","","0.0536","0.053","","","0.1493","0.1503","","","","","","1.049","","","","has coordinates","264276","2021-04-17","21:18:03",""
"4518612","12.4647","0.0009","5.1138","0.0004","23.6809","0.0016","90","","101.514","0.007","90","","1479.09","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O4 S -","- C14 H15 Br O4 S -","- C56 H60 Br4 O16 S4 -","4","2","","Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui","Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity","ACS Catalysis","2021","","","5287","5293","10.1021/acscatal.1c00225","","x-ray","1.54184","CuKα","","0.0834","0.0799","","","0.2512","0.253","","","","","","1.045","","","","has coordinates","264277","2021-04-17","21:18:26",""
"4518613","44.1023","0.0014","11.9357","0.0004","37.7488","0.001","90","","107.621","0.002","90","","18938.3","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H45 B F48 N3 Ni O -","- C91 H45 B F48 N3 Ni O -","- C728 H360 B8 F384 N24 Ni8 O8 -","8","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.1151","0.0703","","","0.1823","0.2087","","","","","","1.026","","","","has coordinates,has disorder","264314","2021-04-19","21:22:45",""
"4518614","12.2781","0.0005","22.6085","0.001","18.0159","0.0007","90","","106.372","0.003","90","","4798.2","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 N2 Ni O -","- C59 H60 N2 Ni O -","- C236 H240 N8 Ni4 O4 -","4","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.0822","0.0522","","","0.1279","0.145","","","","","","1.026","","","","has coordinates,has disorder","264315","2021-04-19","21:23:13",""
"4518615","13.606","","13.645","","17.543","","88.69","","69.98","","65.61","","2760.17","","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H31 F24 N2 Ni O -","- C56 H30.703 F24 N2 Ni O -","- C112 H61.406 F48 N4 Ni2 O2 -","2","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.0779","0.0595","","","0.1657","0.1818","","","","","","1.069","","","","has coordinates,has disorder","264316","2021-04-19","21:23:45",""
"4518616","16.7822","0.0005","18.2187","0.0006","18.2294","0.0005","109.732","0.002","101.015","0.002","110.139","0.002","4618.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C91 H72 B F24 N2 Ni O -","- C91 H73 B F24 N2 Ni O -","- C182 H146 B2 F48 N4 Ni2 O2 -","2","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.07","0.0597","","","0.1528","0.1607","","","","","","1.015","","","","has coordinates,has disorder","264317","2021-04-19","21:24:35",""
"4518617","10.597","0.0003","11.754","0.0002","18.0639","0.0005","76.8308","0.0019","89","0.002","85.8243","0.0019","2185","0.1","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C47 H68 Fe N6 -","- C42 H56 Fe N6 -","- C84 H112 Fe2 N12 -","2","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","0.71073","MoKα","K-L~2,3~","0.0771","0.0501","","","0.1114","0.1239","","","","","","1.034","","","","has coordinates,has disorder","264481","2021-04-23","21:27:35",""
"4518618","26.4101","0.0005","26.4101","0.0005","10.6187","0.0002","90","","90","","120","","6414.2","0.2","120","1","120","1","","","","","","","","6","P 61","P 61","169","","","","- C40 H58 Cl2 Fe N4 O -","- C40 H58 Cl2 Fe N4 O -","- C240 H348 Cl12 Fe6 N24 O6 -","6","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","1.54184","CuKα","K-L~2,3~","0.1329","0.0575","","","0.1202","0.1487","","","","","","0.984","","","","has coordinates","264482","2021-04-23","21:28:07",""
"4518619","13.8259","0.0003","10.7782","0.0002","27.1348","0.0005","90","","93.3137","0.0016","90","","4036.82","0.14","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Fe N4 -","- C48 H62 Fe N4 -","- C192 H248 Fe4 N16 -","4","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","0.71073","MoKα","K-L~2,3~","0.1062","0.0588","","","0.1184","0.1375","","","","","","1.019","","","","has coordinates","264483","2021-04-23","21:28:38",""
"4518620","13.71615","0.00014","20.52625","0.00018","17.35612","0.00018","90","","110.785","0.0012","90","","4568.43","0.09","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.77 H51.54 Cl5.54 Fe N4 -","- C44.769 H51.538 Cl5.538 Fe N4 -","- C179.076 H206.152 Cl22.152 Fe4 N16 -","4","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","1.54184","CuKα","K-L~2,3~","0.0629","0.0554","","","0.1488","0.1548","","","","","","1.041","","","","has coordinates,has disorder","264484","2021-04-23","21:29:09",""
"4518621","14.3281","0.0006","15.1547","0.0005","15.3273","0.0004","89.69","0.002","83.236","0.003","73.71","0.003","3171","0.2","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C132 H204 Fe2 N12 Na2 O4 -","- C122 H180 Fe2 N12 Na2 O4 -","- C122 H180 Fe2 N12 Na2 O4 -","1","0.5","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","1.54184","CuKα","K-L~2,3~","0.1015","0.0627","","","0.1646","0.1889","","","","","","1.03","","","","has coordinates,has disorder","264485","2021-04-23","21:29:44",""
"4518622","9.1137","0.0009","10.222","0.001","12.2985","0.0012","70.989","0.002","70.567","0.002","71.163","0.002","991.53","0.17","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O3 Pd -","- C22 H22 N2 O3 Pd -","- C44 H44 N4 O6 Pd2 -","2","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0171","0.0162","","","0.0422","0.0427","","","","","","1.063","","","","has coordinates","264486","2021-04-23","21:31:17",""
"4518623","11.0488","0.0007","12.4133","0.0008","15.6581","0.001","99.623","0.002","106.45","0.002","105.981","0.002","1908.8","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 O5 P2 Pd -","- C44 H40 O5 P2 Pd -","- C88 H80 O10 P4 Pd2 -","2","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0931","0.0541","","","0.0983","0.1133","","","","","","1.065","","","","has coordinates","264486","2021-04-23","21:31:17",""
"4518624","24.7326","0.0018","13.201","0.0008","23.4604","0.0017","90","","111.779","0.002","90","","7113","0.9","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H35 Cl O4 P2 Pd -","- C43.5 H35 Cl O4 P2 Pd -","- C348 H280 Cl8 O32 P16 Pd8 -","8","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0643","0.0384","","","0.0752","0.083","","","","","","1.019","","","","has coordinates","264486","2021-04-23","21:31:17",""
"4518625","26.339","0.012","8.38","0.004","17.649","0.009","90","","124.36","0.02","90","","3216","3","273","2","273.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H30 Fe O3 P2 Pd -","- C38 H30 Fe O3 P2 Pd -","- C152 H120 Fe4 O12 P8 Pd4 -","4","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.1594","0.1147","","","0.1435","0.1548","","","","","","1.271","","","","has coordinates","264486","2021-04-23","21:31:18",""
"4518626","18.282","0.004","18.506","0.004","20.018","0.004","90","","90","","90","","6773","2","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H50 O3 P Pd -","- C37 H51 O3 P Pd -","- C296 H408 O24 P8 Pd8 -","8","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0624","0.0415","","","0.0946","0.1104","","","","","","1.118","","","","has coordinates,has disorder","264486","2021-04-23","21:31:18",""
"4518627","12.848","0.002","18.223","0.003","16.659","0.003","90","","99.686","0.004","90","","3844.8","1.1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H46.5 Cl2 N4 O3.5 P Pd -","- C39.5 H46.5 Cl2 N4 O3.5 P Pd -","- C158 H186 Cl8 N16 O14 P4 Pd4 -","4","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0525","0.0393","","","0.0975","0.1046","","","","","","1.033","","","","has coordinates,has disorder","264486","2021-04-23","21:31:18",""
"4518630","18.71438","0.0001","7.11566","0.00005","17.68547","0.00011","90","","98.0756","0.0005","90","","2331.73","0.03","296.86","0.1","296.86","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 O2 Si -","- C29 H26 O2 Si -","- C116 H104 O8 Si4 -","4","1","","Zhu, Ming-Hui; Zhang, Xiao-Wen; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Palladium-Catalyzed (4 + 4) Annulation of Silacyclobutanes and 2-Iodobiarenes to Eight-Membered Silacycles via C‒H and C‒Si Bond Activation","ACS Catalysis","2021","","","5703","5708","10.1021/acscatal.1c00975","","x-ray","1.54184","CuKα","","0.0372","0.0358","","","0.1023","0.1036","","","","","","1.058","","","","has coordinates","264556","2021-04-26","21:25:28",""
"4518664","13.4192","0.0002","25.996","0.0004","18.4476","0.0002","90","","101.882","0.001","90","","6297.48","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H36 B Cl2 F24 P -","- C58 H32 B F24 P -","- C232 H128 B4 F96 P4 -","4","1","","Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L.","Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis","ACS Catalysis","2021","","","5452","5462","10.1021/acscatal.1c01133","","x-ray","1.54184","CuKα","","0.081","0.067","","","0.1944","0.2087","","","","","","1.047","","","","has coordinates,has disorder","264783","2021-05-03","19:19:06",""
"4518665","10.5938","0.0002","15.2705","0.0002","16.8486","0.0002","90","","95.456","0.001","90","","2713.29","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F3 O5 P S -","- C29 H24 F3 O5 P S -","- C116 H96 F12 O20 P4 S4 -","4","1","","Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L.","Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis","ACS Catalysis","2021","","","5452","5462","10.1021/acscatal.1c01133","","x-ray","1.54184","CuKα","","0.0426","0.0354","","","0.0869","0.0914","","","","","","1.028","","","","has coordinates","264783","2021-05-03","19:19:07",""
"4518666","8.374","0.003","10.255","0.004","12.556","0.005","82.813","0.012","70.937","0.011","72.094","0.015","969.4","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C46 H58 N2 O4 -","2","1","","Gockel, Samuel N.; Lee, SangHyun; Gay, Brittany L.; Hull, Kami L.","Oxidative Three-Component Carboamination of Vinylarenes with Alkylboronic Acids","ACS Catalysis","2021","","","5166","5171","10.1021/acscatal.1c00105","","","0.71073","MoKα","","0.1088","0.0526","","","0.1057","0.1222","","","","","","1.034","","","","has coordinates","264784","2021-05-03","19:19:57",""
"4518667","6.0333","0.0003","29.8691","0.0015","9.4917","0.0005","90","","101.456","0.002","90","","1676.41","0.15","153.15","","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N O -","- C22 H18 Br N O -","- C88 H72 Br4 N4 O4 -","4","1","","Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei","Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles","ACS Catalysis","2021","","","4929","4935","10.1021/acscatal.1c01052","","","1.54178","CuKα","","0.0734","0.0731","","","0.157","0.1571","","","","","","1.22","","","","has coordinates","264785","2021-05-03","19:20:20",""
"4518668","9.7726","0.0009","12.1642","0.0011","16.4042","0.0015","94.461","0.003","102.259","0.004","105.75","0.003","1814.9","0.3","153","","153","","","","","","","","","5","P 1","P 1","1","","","","- C24 H16.5 Br N O1.25 -","- C24 H16.5 Br N O1.25 -","- C96 H66 Br4 N4 O5 -","4","4","","Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei","Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles","ACS Catalysis","2021","","","4929","4935","10.1021/acscatal.1c01052","","","1.54178","CuKα","","0.0884","0.0766","","","0.2335","0.241","","","","","","1.04","","","","has coordinates","264786","2021-05-03","19:20:43",""
"4518669","12.2356","0.0005","11.8474","0.0004","13.7752","0.0005","90","","109.204","0.004","90","","1885.74","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 Si -","- C21 H23 N3 Si -","- C84 H92 N12 Si4 -","4","1","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.0463","0.0448","","","0.1165","0.1178","","","","","","1.082","","","","has coordinates","264787","2021-05-03","19:21:46",""
"4518670","8.4772","0.0003","23.1025","0.0008","9.866","0.0003","90","","109.061","0.004","90","","1826.26","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N3 Si -","- C19 H27 N3 Si -","- C76 H108 N12 Si4 -","4","1","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.097","0.0822","","","0.2248","0.2675","","","","","","1.098","","","","has coordinates","264788","2021-05-03","19:22:19",""
"4518671","8.5057","0.0004","10.2435","0.0006","10.405","0.0002","95.532","0.003","92.916","0.003","111.087","0.005","838.34","0.07","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 Si -","- C16 H21 N3 Si -","- C32 H42 N6 Si2 -","2","1","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.0749","0.0697","","","0.1927","0.1987","","","","","","1.06","","","","has coordinates","264789","2021-05-03","19:22:41",""
"4518672","11.1967","0.0004","22.1378","0.0005","24.3143","0.0005","76.519","0.0019","88.79","0.002","86.768","0.002","5851.2","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Cl Ir N3 -","- C21 H24.5 Cl Ir N3 -","- C252 H294 Cl12 Ir12 N36 -","12","6","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.1391","0.1148","","","0.3017","0.3475","","","","","","1.116","","","","has coordinates","264790","2021-05-03","19:23:24",""
"4518673","9.8814","0.0011","18.093","0.002","15.1203","0.0017","90","","105.261","0.002","90","","2607.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 O14 P2 Ru -","- C22 H24 N4 O14 P2 Ru -","- C88 H96 N16 O56 P8 Ru4 -","4","1","","Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni","Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions","ACS Catalysis","2021","","","5240","5247","10.1021/acscatal.0c05363","","","0.71073","MoKα","","0.0381","0.0317","","","0.069","0.0724","","","","","","1.111","","","","has coordinates","264791","2021-05-03","19:24:06",""
"4518674","11.5083","0.001","8.8372","0.0008","27.547","0.003","90","","101.328","0.004","90","","2747","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N4 O7 P Ru -","- C26 H31 N4 O7 P Ru -","- C104 H124 N16 O28 P4 Ru4 -","4","1","","Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni","Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions","ACS Catalysis","2021","","","5240","5247","10.1021/acscatal.0c05363","","","0.71073","MoKα","","0.09","0.0527","","","0.1228","0.1397","","","","","","1.055","","","","has coordinates,has disorder","264791","2021-05-03","19:24:16",""
"4518675","13.737","0.003","14.478","0.003","22.319","0.005","79.86","0.03","77.01","0.03","76.01","0.03","4162.1","1.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C208 H232 N8 O8 -","8","4","","Yin, Ge; Li, Yue; Wang, Rong-Hua; Li, Jiang-Fei; Xu, Xue-Tao; Luan, Yu-Xin; Ye, Mengchun","Ligand-Controlled Ni(0)‒Al(III) Bimetal-Catalyzed C3‒H Alkenylation of 2-Pyridones by Reversing Conventional Selectivity","ACS Catalysis","2021","11","8","4606","4612","10.1021/acscatal.1c00750","","","0.71073","MoKα","","0.0999","0.0717","","","0.1892","0.2149","","","","","","1.097","","","","has coordinates","264792","2021-05-03","19:25:15",""
"4518676","8.38863","0.00008","11.45356","0.0001","24.7725","0.0002","90","","90","","90","","2380.13","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 F3 N O4 Si -","- C22 H28 F3 N O4 Si -","- C88 H112 F12 N4 O16 Si4 -","4","1","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0329","0.0311","","","0.078","0.0797","","","","","","0.972","","","","has coordinates","264793","2021-05-03","19:25:39",""
"4518677","11.3628","0.0001","14.9417","0.0001","32.8659","0.0003","90","","90","","90","","5579.96","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Br N O4 Si -","- C26 H38 Br N O4 Si -","- C208 H304 Br8 N8 O32 Si8 -","8","2","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0297","0.0285","","","0.0717","0.0726","","","","","","1.007","","","","has coordinates","264794","2021-05-03","19:26:06",""
"4518678","14.5798","0.0005","9.6574","0.0003","15.0886","0.0005","90","","115.724","0.001","90","","1913.97","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl F N -","- C22 H23 Cl F N -","- C88 H92 Cl4 F4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","0.71073","MoKα","","0.0394","0.0342","","","0.088","0.0932","","","","","","1.037","","","","has coordinates","264795","2021-05-03","19:26:29",""
"4518679","6.4598","0.0002","13.9948","0.0003","21.6147","0.0005","90","","90","","90","","1954.05","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl N -","- C22 H24 Cl N -","- C88 H96 Cl4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","1.54178","CuKα","","0.0352","0.0336","","","0.0873","0.0886","","","","","","1.06","","","","has coordinates","264796","2021-05-03","19:26:53",""
"4518680","19.1956","0.0005","5.6975","0.0002","16.7242","0.0004","90","","114.44","0.0011","90","","1665.19","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N -","- C21 H20 Cl N -","- C84 H80 Cl4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","1.54178","CuKα","","0.0396","0.035","","","0.0875","0.091","","","","","","1.051","","","","has coordinates","264797","2021-05-03","19:27:16",""
"4518688","5.9557","0.0009","10.9058","0.0017","24.74","0.004","90","","90","","90","","1606.9","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,4aS,7aR)-2-(3-bromophenyl)-4,4,7,7- tetramethylhexahydrocyclopenta[d][1,3]dioxine","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C68 H92 Br4 O8 -","4","1","","Ishihara, Hideyuki; Huang, Jianhao; Mochizuki, Takuya; Hatano, Manabu; Ishihara, Kazuaki","Enantio- and Diastereoselective Carbonyl-Ene Cyclization‒Acetalization Tandem Reaction Catalyzed by Tris(pentafluorophenyl)borane-Assisted Chiral Phosphoric Acids","ACS Catalysis","2021","11","10","6121","6127","10.1021/acscatal.1c01242","","","0.71075","MoKα","","0.0372","0.0305","","","0.0637","0.0646","","","","","","0.954","","","","has coordinates","265748","2021-06-04","00:57:49",""
"4518697","9.14307","0.00019","11.5592","0.0003","19.6135","0.0004","90","","90","","90","","2072.88","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 F3 N3 O4 -","- C20 H22 F3 N3 O4 -","- C80 H88 F12 N12 O16 -","4","1","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0312","0.0295","","","0.071","0.0723","","","","","","1.047","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518698","17.3627","0.0004","7.45954","0.00017","20.2256","0.0005","90","","92.932","0.002","90","","2616.15","0.11","100","0.12","100","0.12","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Cl F6 N5 O0.5 S -","- C24 H25 Cl F6 N5 O0.5 S -","- C96 H100 Cl4 F24 N20 O2 S4 -","4","2","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0631","0.0591","","","0.1607","0.1681","","","","","","1.019","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518710","6.7593","0.0003","11.1929","0.0004","20.8815","0.0009","90","","90","","90","","1579.81","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O S -","- C17 H21 N O S -","- C68 H84 N4 O4 S4 -","4","1","","Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.","Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers","ACS Catalysis","2021","","","6357","6362","10.1021/acscatal.1c01457","","x-ray","1.54184","CuKα","","0.0474","0.0401","","","0.0915","0.0973","","","","","","1.051","","","","has coordinates","265184","2021-05-13","21:29:21",""
"4518711","19.2387","0.0009","12.2869","0.0002","10.5907","0.0005","90","","130.407","0.007","90","","1906.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","1","","Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.","Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers","ACS Catalysis","2021","","","6357","6362","10.1021/acscatal.1c01457","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0704","0.0708","","","","","","1.057","","","","has coordinates","265185","2021-05-13","21:29:44",""
"4518725","24.1736","0.0007","10.243","0.0003","18.8716","0.0005","90","","121.705","0.001","90","","3975.5","0.2","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","(bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)bis(tetrafluoroborate)","","- C38 H39 B2 Co F8 N2 P3 -","- C38 H39 B2 Co F8 N2 P3 -","- C152 H156 B8 Co4 F32 N8 P12 -","4","1","","Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.","Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes","ACS Catalysis","2021","","","6384","6389","10.1021/acscatal.1c00781","","x-ray","0.71073","MoKα","","0.1077","0.0592","","","0.0982","0.1088","","","","","","1.025","","","","has coordinates,has disorder","265226","2021-05-14","21:24:54",""
"4518726","10.8813","0.0012","21.4","0.002","15.7081","0.0016","90","","95.165","0.004","90","","3642.9","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)tetrafluoroborate","","- C38 H39 B Co F4 N2 P3 -","- C38 H39 B Co F4 N2 P3 -","- C152 H156 B4 Co4 F16 N8 P12 -","4","1","","Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.","Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes","ACS Catalysis","2021","","","6384","6389","10.1021/acscatal.1c00781","","x-ray","0.71073","MoKα","","0.0606","0.0498","","","0.1143","0.1212","","","","","","1.268","","","","has coordinates,has disorder","265227","2021-05-14","21:25:20",""
"4518731","19.1548","0.0006","14.4591","0.0004","21.2542","0.0006","90","","104.153","0.002","90","","5707.9","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C312 H240 O36 -","12","3","","Hu, Chao; Farshadfar, Kaveh; Dietl, Martin C.; Cervantes-Reyes, Alejandro; Wang, Tao; Adak, Tapas; Rudolph, Matthias; Rominger, Frank; Li, Jun; Ariafard, Alireza; Hashmi, A. Stephen K.","Gold-Catalyzed [5,5]-Rearrangement","ACS Catalysis","2021","","","6510","6518","10.1021/acscatal.1c01108","","","0.71073","MoKα","","0.1329","0.0616","","","0.157","0.1995","","","","","","0.998","","","","has coordinates","265330","2021-05-19","21:26:09",""
"4518732","18.977","0.003","11.6497","0.0018","12.004","0.002","90","","97.393","0.01","90","","2631.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F9 O4 -","- C25 H22 B F9 O4 -","- C100 H88 B4 F36 O16 -","4","1","","Gatlik, Beata; Chaładaj, Wojciech","Pd-Catalyzed Perfluoroalkylative Aryloxycarbonylation of Alkynes with Formates as CO Surrogates","ACS Catalysis","2021","","","6547","6559","10.1021/acscatal.1c00671","","","1.54178","CuKα","","0.1514","0.1029","","","0.3031","0.351","","","","","","1.101","","","","has coordinates,has disorder","265331","2021-05-19","21:26:33",""
"4518737","8.6935","0.0004","11.1078","0.0004","15.4392","0.0006","103.343","0.0013","102.776","0.0013","103.769","0.0013","1347.51","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl3 N O2 Rh -","- C27 H33 Cl3 N O2 Rh -","- C54 H66 Cl6 N2 O4 Rh2 -","2","1","","Jin, Seongho; Kim, Jinwoo; Kim, Dongwook; Park, Jung-Woo; Chang, Sukbok","Electrolytic C‒H Oxygenation via Oxidatively Induced Reductive Elimination in Rh Catalysis","ACS Catalysis","2021","","","6590","6595","10.1021/acscatal.1c01670","","","0.71073","MoKα","","0.0412","0.0333","","","0.0701","0.0748","","","","","","1.13","","","","has coordinates","265379","2021-05-20","21:26:44",""
"4518738","16.666","0.003","10.1915","0.0018","16.848","0.003","90","","115.579","0.009","90","","2581.2","0.8","226","","226","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 I N2 O2 -","- C25 H29 Cl2 I N2 O2 -","- C100 H116 Cl8 I4 N8 O8 -","4","1","","Mi, Ruijie; Zhang, Xuepeng; Wang, Jinlei; Chen, Haohua; Lan, Yu; Wang, Fen; Li, Xingwei","Rhodium-Catalyzed Regio-, Diastereo-, and Enantioselective Three-Component Carboamination of Dienes via C‒H Activation","ACS Catalysis","2021","","","6692","6697","10.1021/acscatal.1c01615","","","1.54178","CuKα","","0.0845","0.0762","","","0.2174","0.2273","","","","","","1.062","","","","has coordinates","265466","2021-05-24","21:24:26",""
"4518739","7.8347","0.0001","33.8529","0.0003","10.5604","0.0001","90","","111.636","0.001","90","","2603.57","0.05","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H78 B2 N2 O6 P2 -","- C52 H78 B2 N2 O6 P2 -","- C104 H156 B4 N4 O12 P4 -","2","1","","Kubota, Koji; Miura, Daiyo; Takeuchi, Takumi; Osaki, Shun; Ito, Hajime","Synthesis of Chiral α-Amino Tertiary Boronates via the Catalytic Enantioselective Nucleophilic Borylation of Dialkyl Ketimines","ACS Catalysis","2021","","","6733","6740","10.1021/acscatal.1c01689","","x-ray","1.54184","CuKα","","0.0332","0.0324","","","0.0931","0.0939","","","","","","1.109","","","","has coordinates,has disorder","265485","2021-05-25","21:23:21",""
"4518756","10.2799","0.0002","5.2046","0.0001","12.4362","0.0002","90","","91.289","0.001","90","","665.2","0.02","169.99","0.11","169.99","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase","ACS Catalysis","2021","","","6900","6907","10.1021/acscatal.1c01220","","x-ray","1.54184","CuKα","","0.0326","0.0316","","","0.0815","0.0823","","","","","","1.049","","","","has coordinates","265616","2021-05-29","21:24:43",""
"4518757","7.999","0.0002","14.9431","0.0003","11.0324","0.0002","90","","95.829","0.002","90","","1311.88","0.05","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O8 -","- C28 H34 N2 O8 -","- C56 H68 N4 O16 -","2","1","","Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase","ACS Catalysis","2021","","","6900","6907","10.1021/acscatal.1c01220","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0763","0.0779","","","","","","1.077","","","","has coordinates","265617","2021-05-29","21:25:05",""
"4518762","9.1864","0.0003","20.8702","0.0007","13.5759","0.0005","90","","101.606","0.003","90","","2549.58","0.15","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H46 B Mn O2 P4 -","- C18 H46 B Mn O2 P4 -","- C72 H184 B4 Mn4 O8 P16 -","4","1","","Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P.","Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives","ACS Catalysis","2021","","","6857","6864","10.1021/acscatal.1c01563","","x-ray","0.71073","MoKα","","0.0398","0.0323","","","0.0651","0.0684","","","","","","1.058","","","","has coordinates","265722","2021-06-03","19:10:52",""
"4518763","10.4506","0.0003","11.3275","0.0003","13.0799","0.0004","67.787","0.002","86.307","0.002","71.524","0.002","1356.88","0.07","250","0.1","250","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 B Mn N2 P4 -","- C22 H42 B Mn N2 P4 -","- C44 H84 B2 Mn2 N4 P8 -","2","1","","Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P.","Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives","ACS Catalysis","2021","","","6857","6864","10.1021/acscatal.1c01563","","x-ray","1.54184","CuKα","","0.0655","0.0576","","","0.1495","0.1549","","","","","","1.033","","","","has coordinates","265723","2021-06-03","19:11:16",""
"4518764","11.2079","0.0002","7.4007","0.0001","12.3548","0.0002","90","","107.452","0.001","90","","977.61","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","1.54178","CuKα","","0.0326","0.0304","","","0.0758","0.0781","","","","","","1.044","","","","has coordinates","265724","2021-06-03","19:11:37",""
"4518765","18.9333","0.0005","18.9333","0.0005","13.1408","0.0005","90","","90","","90","","4710.6","0.3","193","2","193","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C14 H27 Ag F6 N3 O4 S2 -","- C14 H27 Ag F6 N3 O4 S2 -","- C112 H216 Ag8 F48 N24 O32 S16 -","8","1","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","0.71073","MoKα","","0.0744","0.0655","","","0.1931","0.2065","","","","","","1.079","","","","has coordinates,has disorder","265725","2021-06-03","19:12:01",""
"4518766","6.9069","0.0002","7.5708","0.0002","15.0339","0.0004","89.354","0.001","84.929","0.001","87.912","0.001","782.51","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H20 O -","- C21 H20 O -","- C42 H40 O2 -","2","2","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","1.54178","CuKα","","0.041","0.0388","","","0.103","0.1058","","","","","","1.053","","","","has coordinates","265726","2021-06-03","19:12:23",""
"4518767","9.9232","0.0002","13.1316","0.0003","14.5808","0.0003","115.22","0.001","107.436","0.001","94.04","0.001","1596.11","0.06","170","2","169.97","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H48 Ca N4 -","- C27 H48 Ca N4 -","- C54 H96 Ca2 N8 -","2","1","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0641","0.0577","","","0.1618","0.1676","","","","","","1.039","","","","has coordinates","265727","2021-06-03","19:12:54",""
"4518768","10.0487","0.0002","11.1824","0.0002","17.1691","0.0003","84.698","0.001","84.857","0.001","76.81","0.001","1865.65","0.06","170","2","169.97","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H58 Ca N4 Si -","- C31 H58 Ca N4 Si -","- C62 H116 Ca2 N8 Si2 -","2","1","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0375","0.0356","","","0.0991","0.101","","","","","","1.074","","","","has coordinates","265728","2021-06-03","19:13:20",""
"4518769","14.0817","0.0004","20.8984","0.0006","21.3489","0.0006","90","","90","","90","","6282.7","0.3","170","2","169.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 Ca N4 Si -","- C28 H52 Ca N4 Si -","- C224 H416 Ca8 N32 Si8 -","8","1","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0551","0.0427","","","0.1059","0.1143","","","","","","1.038","","","","has coordinates","265729","2021-06-03","19:13:56",""
"4518770","19.5031","0.0005","49.3831","0.0015","13.0859","0.0003","90","","90","","90","","12603.3","0.6","170","2","170.04","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H84 Ca2 N8 -","- C48 H84 Ca2 N8 -","- C384 H672 Ca16 N64 -","8","0.5","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0633","0.0478","","","0.1194","0.1313","","","","","","1.045","","","","has coordinates","265730","2021-06-03","19:14:26",""
"4518777","43.339","0.006","43.339","0.006","43.339","0.006","90","","90","","90","","81402","2","173","2","173","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C151 H130 Cl5 Ir0.5 N7.5 O40 Zr12 -","- C139.488 H65.4912 Cl4.9998 Ir0.5004 N13.4976 O40 Zr12 -","- C1115.9 H523.93 Cl39.9984 Ir4.0032 N107.981 O320 Zr96 -","8","0.0416667","","Qi, Xiangjuan; Zhong, Ronglin; Chen, Mengmeng; Sun, Chunyi; You, Siqi; Gu, Jianxia; Shan, Guogang; Cui, Dongxu; Wang, Xinlong; Su, Zhongmin","Single Metal‒Organic Cage Decorated with an Ir(III) Complex for CO2 Photoreduction","ACS Catalysis","2021","11","12","7241","7248","10.1021/acscatal.1c01974","","","1.54178","CuKα","","0.2263","0.1908","","","0.4761","0.5176","","","","","","2.337","","","","has coordinates,has disorder","266960","2021-07-04","01:34:50",""
"4518787","13.347","0.003","7.9177","0.0016","13.683","0.003","90","","91.98","0.002","90","","1445.1","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 B F2 N -","- C18 H14 B F2 N -","- C72 H56 B4 F8 N4 -","4","2","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.0519","0.0432","","","0.0935","0.0982","","","","","","1.055","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518788","7.791","0.002","10.316","0.003","13.717","0.004","72.903","0.004","78.602","0.004","70.427","0.004","986.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 B N O2 -","- C24 H26 B N O2 -","- C48 H52 B2 N2 O4 -","2","1","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.1083","0.0695","","","0.1589","0.1753","","","","","","1.061","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518789","8.2846","0.0005","11.5452","0.0007","17.4901","0.001","90","","90","","90","","1672.88","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N O2 -","- C20 H18 Cl N O2 -","- C80 H72 Cl4 N4 O8 -","4","1","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","1.54178","CuKα","","0.0223","0.0216","","","0.053","0.0535","","","","","","1.057","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518790","7.738","0.003","11.313","0.004","11.517","0.004","90","","95.132","0.004","90","","1004.2","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.67 H3.67 Cl0.33 N0.33 O0.67 -","- C3.66667 H3.66667 Cl0.333333 N0.333333 O0.666667 -","- C44 H44 Cl4 N4 O8 -","12","3","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.0525","0.0413","","","0.11","0.1186","","","","","","1.035","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518791","9.3814","0.0001","12.2395","0.0002","21.7629","0.0003","85.937","0.001","85.118","0.001","71.918","0.002","2364.26","0.06","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 P4 Re2 -","- C54 H60 P4 Re2 -","- C108 H120 P8 Re4 -","2","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0549","0.0421","","","0.0683","0.072","","","","","","1.176","","","","has coordinates,has disorder","266961","2021-07-04","01:35:44",""
"4518792","12.9998","0.0002","29.3027","0.0004","14.5738","0.0002","90","","102.888","0.001","90","","5411.73","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H67 B K O8 P2 Re -","- C45 H67 B K O8 P2 Re -","- C180 H268 B4 K4 O32 P8 Re4 -","4","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0297","0.0286","","","0.0633","0.0637","","","","","","1.151","","","","has coordinates","266961","2021-07-04","01:35:47",""
"4518793","11.5282","0.0003","24.9634","0.0008","26.1194","0.0009","90","","90","","90","","7516.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","ReH6(dppp)(Bpin)","","- C40 H52 B O2 P2 Re -","- C40 H52 B O2 P2 Re -","- C320 H416 B8 O16 P16 Re8 -","8","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0585","0.0381","","","0.0503","0.0541","","","","","","1.095","","","","has coordinates","266961","2021-07-04","01:35:47",""
"4518810","9.167","0.003","9.525","0.003","11.969","0.004","79.705","0.008","87.577","0.008","80.445","0.008","1013.9","0.6","129","2","129","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl5 N4 Zn -","- C19 H13 Cl5 N4 Zn -","- C38 H26 Cl10 N8 Zn2 -","2","1","","Das, Siuli; Mondal, Rakesh; Chakraborty, Gargi; Guin, Amit Kumar; Das, Abhishek; Paul, Nanda D.","Zinc Stabilized Azo-anion Radical in Dehydrogenative Synthesis of N-Heterocycles. An Exclusively Ligand Centered Redox Controlled Approach","ACS Catalysis","2021","11","12","7498","7512","10.1021/acscatal.1c00275","","","0.71073","MoKα","","0.0373","0.0312","","","0.0843","0.0873","","","","","","1.065","","","","has coordinates","266962","2021-07-04","01:36:33",""
"4518811","11.2672","0.001","10.7013","0.001","29.775","0.003","90","","90.307","0.001","90","","3590","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N3 O Rh -","- C40 H54 N3 O Rh -","- C160 H216 N12 O4 Rh4 -","4","1","","Galiana-Cameo, María; Urriolabeitia, Asier; Barrenas, Eduardo; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Di Giuseppe, Andrea; Polo, Víctor; Castarlenas, Ricardo","Metal‒Ligand Cooperative Proton Transfer as an Efficient Trigger for Rhodium-NHC-Pyridonato Catalyzed gem-Specific Alkyne Dimerization","ACS Catalysis","2021","11","12","7553","7567","10.1021/acscatal.1c00602","","","0.71073","MoKα","","0.0366","0.0282","","","0.06","0.0635","","","","","","1.041","","","","has coordinates,has disorder","266963","2021-07-04","01:37:01",""
"4518820","6.5335","0.0004","9.7082","0.0006","21.2586","0.0013","90","","90","","90","","1348.4","0.14","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0302","0.0299","","","0.0755","0.0761","","","","","","1.053","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518821","5.5908","0.0006","12.4361","0.0012","16.2473","0.0015","90","","90","","90","","1129.64","0.19","237","2","237","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0304","0.0295","","","0.072","0.0726","","","","","","1.054","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518822","9.7823","0.0005","6.7565","0.0003","11.0023","0.0005","90","","90.42","0.002","90","","727.17","0.06","246","2","246","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0329","0.0321","","","0.0787","0.0796","","","","","","1.084","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518823","5.5111","0.0002","13.0823","0.0004","19.6436","0.0006","90","","90","","90","","1416.26","0.08","155","2","155","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0298","0.0292","","","0.0777","0.0782","","","","","","1.065","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518824","6.5561","0.0007","10.1014","0.0013","22.992","0.002","90","","90","","90","","1522.7","0.3","267","2","267","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0482","0.0433","","","0.1126","0.1179","","","","","","1.044","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518825","7.7829","0.0003","6.2561","0.0003","14.2118","0.0006","90","","91.797","0.002","90","","691.64","0.05","270","2","270","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0373","0.0337","","","0.0874","0.0903","","","","","","1.082","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518826","10.2602","0.0009","10.2602","0.0009","61.043","0.005","90","","90","","120","","5565.2","0.8","153","2","153","2","","","","","","","","6","P 65","P 65","170","","","","- C16 H19 Br Mn N3 O3 -","- C16 H19 Br Mn N3 O3 -","- C192 H228 Br12 Mn12 N36 O36 -","12","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0479","0.039","","","0.1022","0.1068","","","","","","1","","","","has coordinates","266956","2021-07-04","01:31:59",""
"4518827","13.1249","0.001","18.8575","0.0014","20.0527","0.0015","90","","90","","90","","4963.1","0.6","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Mn N3 O3 -","- C21 H19 Br Mn N3 O3 -","- C168 H152 Br8 Mn8 N24 O24 -","8","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0458","0.0389","","","0.0938","0.0964","","","","","","1.098","","","","has coordinates","266956","2021-07-04","01:32:00",""
"4518828","29.0406","0.0016","16.9643","0.0009","19.5677","0.0011","90","","102.448","0.001","90","","9413.5","0.9","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H61 Hf N O2 -","- C55 H61 Hf N O2 -","- C440 H488 Hf8 N8 O16 -","8","1","","Goryunov, Georgy P.; Sharikov, Mikhail I.; Iashin, Andrei N.; Canich, Jo Ann M.; Mattler, Sarah J.; Hagadorn, John R.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","Rigid Postmetallocene Catalysts for Propylene Polymerization: Ligand Design Prevents the Temperature-Dependent Loss of Stereo- and Regioselectivities","ACS Catalysis","2021","11","13","8079","8086","10.1021/acscatal.1c01611","","","0.71073","MoKα","","0.027","0.0218","","","0.049","0.0517","","","","","","1.027","","","","has coordinates","266957","2021-07-04","01:32:31",""
"4518829","10.9084","0.0001","11.7353","0.0002","16.7685","0.0002","90","","90","","90","","2146.59","0.05","297","","297","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N4 O2 -","- C22 H29 Cl N4 O2 -","- C88 H116 Cl4 N16 O8 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0388","0.0376","","","0.1045","0.1055","","","","","","1.051","","","","has coordinates,has disorder","266958","2021-07-04","01:33:09",""
"4518830","19.2893","0.0001","19.2893","0.0001","6.0504","0.0001","90","","90","","90","","2251.22","0.04","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H24 Cl N3 O3 -","- C23 H24 Cl N3 O3 -","- C92 H96 Cl4 N12 O12 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.039","0.0363","","","0.098","0.0998","","","","","","1.047","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518831","14.6667","0.0002","15.3682","0.0002","23.1466","0.0003","90","","90","","90","","5217.26","0.12","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H65 Cl3 N8 O5 -","- C55 H65 Cl3 N8 O5 -","- C220 H260 Cl12 N32 O20 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0519","0.0503","","","0.1373","0.1391","","","","","","1.037","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518848","17.1276","0.0012","17.7163","0.0012","17.8919","0.0013","112.381","0.002","115.776","0.002","90.585","0.002","4418.7","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H35 Cl3 F3 O10 P3 Pt S -","- C35 H35 Cl3 F3 O10 P3 Pt S -","- C140 H140 Cl12 F12 O40 P12 Pt4 S4 -","4","2","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0787","0.0593","","","0.1527","0.1675","","","","","","1.057","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518849","9.3276","0.0006","10.4475","0.0007","21.4237","0.0014","98.845","0.002","100.326","0.002","94.635","0.002","2016.9","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H35 F6 Fe O7 P3 Pt S2 -","- C38 H35 F6 Fe O7 P3 Pt S2 -","- C76 H70 F12 Fe2 O14 P6 Pt2 S4 -","2","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0478","0.0406","","","0.0908","0.0944","","","","","","1.095","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518850","12.0101","0.0007","13.0185","0.0008","20.5982","0.0012","89.708","0.003","73.604","0.003","66.285","0.003","2807.1","0.3","150","","150","","","","","","","","","10","P -1","-P 1","2","","","","- C55.5 H51 F6 Fe I N O7 P3 Pt S2 -","- C55.5 H51 F6 Fe I N O7 P3 Pt S2 -","- C111 H102 F12 Fe2 I2 N2 O14 P6 Pt2 S4 -","2","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","1.54184","CuKα","","0.0543","0.0515","","","0.1301","0.1331","","","","","","1.048","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518851","14.8139","0.0007","9.5761","0.0005","27.8457","0.0012","90","","102.566","0.002","90","","3855.6","0.3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl4 F3 O4 P3 Pt S -","- C34 H32 Cl4 F3 O4 P3 Pt S -","- C136 H128 Cl16 F12 O16 P12 Pt4 S4 -","4","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","1.54178","CuKα","","0.0386","0.0358","","","0.1093","0.1117","","","","","","1.111","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518852","11.1267","0.0013","13.0225","0.0015","28.766","0.004","102.068","0.004","96.51","0.004","93.444","0.004","4034.6","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H35 Cl3 F3 O4 P3 Pt S -","- C38 H35 Cl3 F3 O4 P3 Pt S -","- C152 H140 Cl12 F12 O16 P12 Pt4 S4 -","4","2","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0792","0.0558","","","0.1163","0.125","","","","","","1.047","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518853","9.9852","0.0003","9.9852","0.0003","12.768","0.0004","90","","90","","90","","1273.02","0.07","150","2","150","","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Pan, Yongkai; Wang, Donglei; Chen, Yunrong; Zhang, DeKun; Liu, Wei; Yang, Xiaoyu","Kinetic Resolution of α-Tertiary Propargylic Amines through Asymmetric Remote Aminations of Anilines","ACS Catalysis","2021","","","8443","8448","10.1021/acscatal.1c02331","","","1.54178","CuKα","","0.0479","0.0427","","","0.0982","0.103","","","","","","1.107","","","","has coordinates","266936","2021-07-03","19:32:07",""
"4518854","9.2006","0.0011","6.3392","0.0012","12.694","0.0018","90","","94.419","0.012","90","","738.2","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 F3 O -","- C17 H15 F3 O -","- C34 H30 F6 O2 -","2","1","","Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe","Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes","ACS Catalysis","2021","","","8527","8537","10.1021/acscatal.1c01483","","","0.71073","MoKα","","0.0779","0.0424","","","0.0818","0.1018","","","","","","1.041","","","","has coordinates","266937","2021-07-03","19:32:29",""
"4518855","6.3512","0.0005","15.7186","0.0013","17.6114","0.0017","95.974","0.007","99.576","0.007","94.985","0.007","1714.5","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H15 F3 N0 O0 -","- C22 H15 F3 -","- C88 H60 F12 -","4","4","","Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe","Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes","ACS Catalysis","2021","","","8527","8537","10.1021/acscatal.1c01483","","","0.71073","MoKα","","0.1254","0.0544","","","0.116","0.1529","","","","","","1.005","","","","has coordinates","266938","2021-07-03","19:32:54",""
"4518856","10.4985","0.0013","11.4124","0.001","13.4302","0.0012","79.15","0.007","89.525","0.008","79.395","0.009","1552.8","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","1","0.5","","So, Chau Ming; Yuen, On Ying; Ng, Shan Shan; Chen, Zicong","General Chemoselective Suzuki‒Miyaura Coupling of Polyhalogenated Aryl Triflates Enabled by an Alkyl-Heteroaryl-Based Phosphine Ligand","ACS Catalysis","2021","11","13","7820","7827","10.1021/acscatal.1c02146","","x-ray","0.71073","MoKα","","0.1135","0.0662","","","0.1031","0.1246","","","","","","0.998","","","","has coordinates","266939","2021-07-03","19:34:25",""
"4518857","18.9569","0.0014","14.9929","0.0011","23.8375","0.0018","90","","104.419","0.001","90","","6561.7","0.8","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H88 B2 N4 Na O5 Rh S2 -","- C73 H88 B2 N4 Na O5 Rh S2 -","- C292 H352 B8 N16 Na4 O20 Rh4 S8 -","4","1","","Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.","Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction","ACS Catalysis","2021","11","13","8155","8164","10.1021/acscatal.1c01527","","","0.71073","MoKα","","0.0602","0.0438","","","0.1067","0.1165","","","","","","1.032","","","","has coordinates,has disorder","266940","2021-07-03","19:34:48",""
"4518858","8.2674","0.0009","9.8268","0.001","10.9563","0.0011","116.565","0.0011","96.392","0.0012","103.022","0.0011","752.35","0.14","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H19 B F4 N O Rh S2 -","- C9 H19 B F4 N O Rh S2 -","- C18 H38 B2 F8 N2 O2 Rh2 S4 -","2","1","","Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.","Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction","ACS Catalysis","2021","11","13","8155","8164","10.1021/acscatal.1c01527","","","0.71073","MoKα","","0.0211","0.0204","","","0.0541","0.0546","","","","","","1.068","","","","has coordinates","266941","2021-07-03","19:35:10",""
"4518859","16.3353","0.0011","14.4426","0.0011","12.0371","0.0009","90","","90","","90","","2839.8","0.4","103","2","103","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H43 B F4 Mn N O2 P2 -","- C25 H43 B F4 Mn N O2 P2 -","- C100 H172 B4 F16 Mn4 N4 O8 P8 -","4","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0556","0.0398","","","0.0715","0.0764","","","","","","0.994","","","","has coordinates,has disorder","266942","2021-07-03","19:36:19",""
"4518860","17.7198","0.0007","12.1114","0.0005","15.6986","0.0007","90","","112.202","0.002","90","","3119.3","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Mn N O5 P2 -","- C30 H50 Mn N O5 P2 -","- C120 H200 Mn4 N4 O20 P8 -","4","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0722","0.04","","","0.0759","0.0863","","","","","","1.018","","","","has coordinates","266942","2021-07-03","19:36:20",""
"4518861","14.762","0.008","15.414","0.008","19.157","0.01","104.574","0.019","100.59","0.02","113.484","0.016","3666","3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H54 K Mn N O5.5 P2 -","- C32 H54 K Mn N O5.5 P2 -","- C128 H216 K4 Mn4 N4 O22 P8 -","4","2","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.1445","0.0838","","","0.1926","0.2324","","","","","","1.052","","","","has coordinates,has disorder","266942","2021-07-03","19:36:20",""
"4518862","40.52","0.005","11.0361","0.0012","29.824","0.003","90","","99.137","0.003","90","","13168","3","165","2","165","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H105 K Mn N O15 P2 -","- C58 H105 K Mn N O15 P2 -","- C464 H840 K8 Mn8 N8 O120 P16 -","8","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0599","0.0443","","","0.1209","0.1332","","","","","","1.056","","","","has coordinates,has disorder","266942","2021-07-03","19:36:20",""
"4518870","5.9302","0.0003","21.3945","0.001","13.9168","0.0006","90","","95.871","0.001","90","","1756.41","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana","Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates","ACS Catalysis","2021","","","8968","8977","10.1021/acscatal.1c01826","","","0.71073","MoKα","","0.1011","0.0546","","","0.1044","0.1208","","","","","","1.023","","","","has coordinates","267402","2021-07-08","21:30:50",""
"4518871","6.2331","0.0009","10.6409","0.0016","14.154","0.002","100.755","0.004","94.852","0.003","105.369","0.003","880.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C44 H34 N2 O8 -","2","1","","Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana","Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates","ACS Catalysis","2021","","","8968","8977","10.1021/acscatal.1c01826","","","0.71073","MoKα","","0.2369","0.0819","","","0.1567","0.2115","","","","","","0.983","","","","has coordinates","267403","2021-07-08","21:31:33",""
"4518872","11.4744","0.0001","17.1601","0.0002","12.5381","0.0002","90","","113.976","0.002","90","","2255.76","0.06","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Ir4 N16 O2 -","- C100 H100 Ir4 N16 O2 -","- C100 H100 Ir4 N16 O2 -","1","0.25","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0254","0.0208","","","0.0468","0.0493","","","","","","1.065","","","","has coordinates,has disorder","267404","2021-07-08","21:32:03",""
"4518873","10.5762","0.0002","12.2061","0.0002","34.8949","0.0006","90","","90","","90","","4504.73","0.14","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl Ir N4 O -","- C24 H26 Cl Ir N4 O -","- C192 H208 Cl8 Ir8 N32 O8 -","8","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0393","0.0294","","","0.0617","0.0661","","","","","","1.064","","","","has coordinates","267405","2021-07-08","21:32:34",""
"4518874","18.708","0.0003","9.78149","0.00014","24.7192","0.0004","90","","90","","90","","4523.42","0.12","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Br Cl Ir N4 -","- C23 H23 Br Cl Ir N4 -","- C184 H184 Br8 Cl8 Ir8 N32 -","8","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0627","0.0354","","","0.055","0.0626","","","","","","1.046","","","","has coordinates","267406","2021-07-08","21:33:03",""
"4518875","9.3205","0.0002","24.9862","0.0002","15.3632","0.0003","90","","131.483","0.004","90","","2680.35","0.18","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Ir N4 O2 -","- C28 H27 Ir N4 O2 -","- C112 H108 Ir4 N16 O8 -","4","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","1.54184","CuKα","","0.0296","0.0287","","","0.0655","0.066","","","","","","1.091","","","","has coordinates,has disorder","267407","2021-07-08","21:33:49",""
"4518876","11.74509","0.00017","12.84178","0.00011","22.3981","0.0003","83.3036","0.0011","84.813","0.0012","72.8119","0.0011","3199.79","0.07","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H60 F9 Ir2 N10 O12 S3 -","- C55 H60 F9 Ir2 N10 O12 S3 -","- C110 H120 F18 Ir4 N20 O24 S6 -","2","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0446","0.0362","","","0.0812","0.0864","","","","","","1.05","","","","has coordinates","267408","2021-07-08","21:34:24",""
"4518880","13.8594","0.001","19.0914","0.0013","16.2268","0.0011","90","","103","0.002","90","","4183.5","0.5","200","2","200.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Mn N4 O S4 -","- C44 H47 Mn N4 O S4 -","- C176 H188 Mn4 N16 O4 S16 -","4","1","","Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom","Mechanistic Study of Metal‒Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway","ACS Catalysis","2021","","","9043","9051","10.1021/acscatal.1c02238","","","0.71073","MoKα","","0.0623","0.0468","","","0.1225","0.1375","","","","","","1.048","","","","has coordinates","267441","2021-07-09","21:27:27",""
"4518881","11.3144","0.0019","11.4859","0.0018","12.22","0.002","88.259","0.005","81.481","0.005","65.401","0.004","1427.1","0.4","203.65","","203.65","","","","","","","","","5","P -1","-P 1","2","","MnC30N2S4H32","","- C30 H32 Mn N2 S4 -","- C30 H32 Mn N2 S4 -","- C60 H64 Mn2 N4 S8 -","2","1","","Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom","Mechanistic Study of Metal‒Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway","ACS Catalysis","2021","","","9043","9051","10.1021/acscatal.1c02238","","","0.71073","MoKα","","0.0878","0.0464","","","0.096","0.1103","","","","","","0.975","","","","has coordinates","267442","2021-07-09","21:27:51",""
"4518882","9.3942","0.0003","10.1393","0.0003","16.2354","0.0005","97.191","0.001","100.275","0.001","105.856","0.001","1438.82","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O4 Si -","- C31 H34 N2 O4 Si -","- C62 H68 N4 O8 Si2 -","2","1","","Wang, Jinlei; Chen, Haohua; Kong, Lingheng; Wang, Fen; Lan, Yu; Li, Xingwei","Enantioselective and Diastereoselective C‒H Alkylation of Benzamides: Synergized Axial and Central Chirality via a Single Stereodetermining Step","ACS Catalysis","2021","","","9151","9158","10.1021/acscatal.1c02450","","","0.71073","MoKα","","0.0593","0.0494","","","0.13","0.1398","","","","","","1.039","","","","has coordinates,has disorder","267443","2021-07-09","21:28:13",""
"4518886","18.627","0.003","6.7071","0.0012","17.181","0.004","90","","95.763","0.016","90","","2135.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Yang, Jian; Zhao, He; Tan, Zhenda; Cao, Liang; Jiang, Huanfeng; Ci, Chenggang; Dixneuf, Pierre H.; Zhang, Min","syn-Selective Construction of Fused Heterocycles by Catalytic Reductive Tandem Functionalization of N-Heteroarenes","ACS Catalysis","2021","","","9271","9278","10.1021/acscatal.1c01328","","","0.71073","MoKα","","0.185","0.073","","","0.1553","0.2036","","","","","","1.019","","","","has coordinates","267469","2021-07-12","21:33:17",""
"4518893","17.7594","0.0006","10.3516","0.0003","21.1291","0.0007","90","","98.278","0.001","90","","3843.9","0.2","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H70 Cl10 Li2 N2 O10 Ru2 -","- C76 H70 Cl10 Li2 N2 O10 Ru2 -","- C152 H140 Cl20 Li4 N4 O20 Ru4 -","2","0.5","","Chen, Qiongyao; Shen, Chaoren; Zhu, Gangli; Zhang, Xuehua; Lv, Chun-Lin; Zeng, Bo; Wang, Sen; Li, Junfen; Fan, Weibin; He, Lin","Selectivity Switching of CO2 Hydrogenation from HCOOH to CO with an In Situ Formed Ru‒Li Complex","ACS Catalysis","2021","","","9390","9396","10.1021/acscatal.1c01874","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","267532","2021-07-14","21:31:59",""
"4518897","10.9971","0.0002","12.8967","0.0003","23.2972","0.0005","90","","90","","90","","3304.16","0.12","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N4 O9 -","- C36 H38 N4 O9 -","- C144 H152 N16 O36 -","4","1","","Yasui, Takeshi; Tatsumi, Rine; Yamamoto, Yoshihiko","Highly Enantioselective [2+2+2] Cycloaddition of Enediynes Enabled by Cobalt/Organophotoredox Cooperative Catalysis","ACS Catalysis","2021","","","9479","9484","10.1021/acscatal.1c02410","","","1.54187","CuKα","","0.0439","0.0411","","","0.1126","0.1145","","","","","","1.034","","","","has coordinates","267563","2021-07-15","21:30:48",""
"4518899","17.5115","0.0007","10.169","0.0004","15.2635","0.0006","90","","112.764","0.001","90","","2506.32","0.17","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H25 F N2 O4 S -","- C29 H25 F N2 O4 S -","- C116 H100 F4 N8 O16 S4 -","4","1","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0267","","","0.0639","0.0663","","","","","","1.044","","","","has coordinates","267619","2021-07-17","21:30:59",""
"4518900","15.1894","0.0006","15.9729","0.0006","15.9472","0.0005","90","","90.194","0.002","90","","3869.1","0.2","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H23 N O2 S -","- C21 H23 N O2 S -","- C168 H184 N8 O16 S8 -","8","2","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","","0.031","0.0281","","","0.0791","0.0821","","","","","","1.055","","","","has coordinates","267621","2021-07-17","21:31:23",""
"4518901","9.641","0.0004","10.3467","0.0005","13.3148","0.0005","109.229","0.001","111.165","0.001","92.216","0.001","1150.61","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 F N O4 S -","- C24 H26 F N O4 S -","- C48 H52 F2 N2 O8 S2 -","2","1","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","K-L~3~","0.0387","0.0351","","","0.0855","0.0887","","","","","","1.036","","","","has coordinates,has disorder","267622","2021-07-17","21:31:45",""
"4518902","6.9804","0.0003","11.6735","0.0005","13.864","0.0006","87.741","0.001","84.853","0.001","74.465","0.001","1083.92","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 F N O4 S -","- C24 H26 F N O4 S -","- C48 H52 F2 N2 O8 S2 -","2","1","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","K-L~3~","0.0432","0.0328","","","0.079","0.0843","","","","","","1.036","","","","has coordinates","267623","2021-07-17","21:32:01",""
"4518903","8.4501","0.0015","5.9208","0.001","15.748","0.003","90","","99.991","0.008","90","","775.9","0.2","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","","Wu, Cunluo; Bian, Qilong; Ding, Tao; Tang, Mingming; Zhang, Wenkai; Xu, Yuanqing; Liu, Baoying; Xu, Hao; Li, Hai-Bei; Fu, Hua","Photoinduced Iron-Catalyzed ipso-Nitration of Aryl Halides via Single-Electron Transfer","ACS Catalysis","2021","","","9561","9568","10.1021/acscatal.1c02272","","","1.54178","CuKα","","0.0598","0.0579","","","0.1499","0.1529","","","","","","1.094","","","","has coordinates","267624","2021-07-17","21:32:21",""
"4518905","9.3857","0.0009","9.9771","0.0009","13.2225","0.0012","90","","100.721","0.002","90","","1216.57","0.19","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 Pd2 S2 -","- C22 H30 Cl2 Pd2 S2 -","- C44 H60 Cl4 Pd4 S4 -","2","0.5","","Saint-Denis, Tyler G.; Lam, Nelson Y. S.; Chekshin, Nikita; Richardson, Paul F.; Chen, Jason S.; Elleraas, Jeff; Hesp, Kevin D.; Schmitt, Daniel C.; Lian, Yajing; Huh, Chan Woo; Yu, Jin-Quan","Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)‒H Activation of Thioethers Involving Two Distinct Stereomodels","ACS Catalysis","2021","","","9738","9753","10.1021/acscatal.1c02808","","x-ray","0.71073","MoKα","","0.0347","0.0268","","","0.0649","0.0685","","","","","","1.078","","","","has coordinates","267642","2021-07-19","21:29:47",""
"4518906","10.4226","0.0005","10.7688","0.0006","16.5741","0.0009","95.359","0.001","97.322","0.001","110.059","0.001","1714.3","0.16","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 O8 Pd4 S4 -","- C64 H96 O8 Pd4 S4 -","- C64 H96 O8 Pd4 S4 -","1","0.5","","Saint-Denis, Tyler G.; Lam, Nelson Y. S.; Chekshin, Nikita; Richardson, Paul F.; Chen, Jason S.; Elleraas, Jeff; Hesp, Kevin D.; Schmitt, Daniel C.; Lian, Yajing; Huh, Chan Woo; Yu, Jin-Quan","Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)‒H Activation of Thioethers Involving Two Distinct Stereomodels","ACS Catalysis","2021","","","9738","9753","10.1021/acscatal.1c02808","","x-ray","0.71073","MoKα","","0.025","0.0216","","","0.0541","0.0567","","","","","","1.041","","","","has coordinates","267643","2021-07-19","21:30:05",""
"4518921","9.436","0.004","9.724","0.003","22.389","0.009","90","","90","","90","","2054.3","1.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Song, Yulong; Fu, Chunling; Ma, Shengming","Copper-Catalyzed Syntheses of Multiple Functionalizatized Allenes via Three-Component Reaction of Enynes","ACS Catalysis","2021","","","10007","10013","10.1021/acscatal.1c02140","","","0.71073","MoKα","","0.0308","0.0283","","","0.0696","0.0714","","","","","","1.03","","","","has coordinates","267765","2021-07-27","21:32:26",""
"4518924","25.0296","0.0003","21.4254","0.0003","8.35199","0.00014","90","","90","","90","","4478.91","0.11","295","0.4","295","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C224 H200 N8 O24 -","8","2","","Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long","Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates","ACS Catalysis","2021","","","10148","10158","10.1021/acscatal.1c01724","","x-ray","1.54184","CuKα","","0.0556","0.0507","","","0.1324","0.139","","","","","","1.038","","","","has coordinates,has disorder","267868","2021-07-31","21:29:54",""
"4518925","10.2188","0.0007","10.9667","0.0006","13.713","0.0007","82.201","0.004","85.137","0.005","66.119","0.006","1391.45","0.16","294","0.3","294","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cl4 N O3 -","- C29 H25 Cl4 N O3 -","- C58 H50 Cl8 N2 O6 -","2","1","","Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long","Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates","ACS Catalysis","2021","","","10148","10158","10.1021/acscatal.1c01724","","x-ray","1.54184","CuKα","","0.0863","0.0753","","","0.2195","0.2379","","","","","","1.045","","","","has coordinates","267869","2021-07-31","21:30:42",""
"4518926","19.7295","0.0014","6.1575","0.0004","19.7303","0.0014","90","","115.521","0.003","90","","2163","0.3","170","2","170.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C20 H36 B2 O4 -","- C20 H36 B2 O4 -","- C80 H144 B8 O16 -","4","1","","Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng","Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates","ACS Catalysis","2021","","","10138","10147","10.1021/acscatal.1c02432","","","1.34139","GaKα","","0.0837","0.0808","","","0.2279","0.2331","","","","","","1.111","","","","has coordinates","267870","2021-07-31","21:31:06",""
"4518927","9.3707","0.0003","11.8804","0.0003","12.9994","0.0004","90","","104.809","0.001","90","","1399.12","0.07","173","2","172.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H40 Cl2 Fe N3 P -","- C27 H40 Cl2 Fe N3 P -","- C54 H80 Cl4 Fe2 N6 P2 -","2","1","","Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng","Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates","ACS Catalysis","2021","","","10138","10147","10.1021/acscatal.1c02432","","","1.34139","GaKα","","0.0292","0.026","","","0.0614","0.0648","","","","","","1.073","","","","has coordinates,has disorder","267871","2021-07-31","21:31:38",""
"4518934","10.5492","0.0004","10.6045","0.0005","15.0677","0.0008","90","","90","","90","","1685.61","0.14","295","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl F3 N O -","- C19 H15 Cl F3 N O -","- C76 H60 Cl4 F12 N4 O4 -","4","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.0813","0.0525","","","0.1086","0.129","","","","","","1.024","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4518935","8.6182","0.0004","7.3866","0.0004","19.3609","0.001","90","","93.692","0.004","90","","1229.94","0.11","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl F2 N O3 -","- C28 H24 Cl F2 N O3 -","- C56 H48 Cl2 F4 N2 O6 -","2","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.09","0.0612","","","0.147","0.172","","","","","","1.048","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4518936","18.358","0.003","10.6384","0.0011","20.055","0.002","90","","100.967","0.006","90","","3845.2","0.8","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 N4 O4 P2 Rh2 -","- C39 H42 N4 O4 P2 Rh2 -","- C156 H168 N16 O16 P8 Rh8 -","4","1","","Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo","Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes","ACS Catalysis","2021","11","16","10190","10197","10.1021/acscatal.1c02129","","","1.54178","CuKα","","0.0263","0.0211","","","0.0472","0.0489","","","","","","1.039","","","","has coordinates","268479","2021-09-04","02:57:27",""
"4518937","9.8701","0.0002","21.0572","0.0004","16.6273","0.0003","90","","90","","90","","3455.76","0.11","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 O7 P3 Rh2 -","- C34 H39 O7 P3 Rh2 -","- C136 H156 O28 P12 Rh8 -","4","0.5","","Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo","Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes","ACS Catalysis","2021","11","16","10190","10197","10.1021/acscatal.1c02129","","","1.54178","CuKα","","0.0284","0.0238","","","0.0559","0.0576","","","","","","1.106","","","","has coordinates","268479","2021-09-04","02:57:27",""
"4518939","15.8193","0.0009","16.1233","0.0009","28.3586","0.0015","90","","103.52","0.002","90","","7032.7","0.7","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Carboxylate Dimer","","","- C71 H99 Au2 F8 O2 P2 Sb -","- C71 H99 Au2 F8 O2 P2 Sb -","- C284 H396 Au8 F32 O8 P8 Sb4 -","4","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0783","0.0428","","","0.0883","0.1036","","","","","","1.071","","","","has coordinates","267913","2021-08-03","19:36:49",""
"4518940","11.0822","0.0008","11.3847","0.0009","18.7298","0.0013","73.758","0.003","74.18","0.003","89.153","0.003","2178","0.3","138","2","138","2","","","","","","","","9","P -1","-P 1","2","","Au Carboxylate - SbF6","","- C42 H50 Au Cl2 F8 N O2 P Sb -","- C42 H50 Au Cl2 F8 N O2 P Sb -","- C84 H100 Au2 Cl4 F16 N2 O4 P2 Sb2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0436","0.0349","","","0.0912","0.0968","","","","","","1.039","","","","has coordinates","267914","2021-08-03","19:37:12",""
"4518941","15.128","0.0011","17.2038","0.0012","17.914","0.002","111.6","0.001","103.331","0.001","109.325","0.001","3746.2","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","RAD-7-203","(tBuXPhosAu)2ISbF6","","- C61 H93 Au2 Cl9 F6 I P2 Sb -","- C61 H93 Au2 Cl9 F6 I P2 Sb -","- C122 H186 Au4 Cl18 F12 I2 P4 Sb2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0352","0.0284","","","0.0664","0.0695","","","","","","1.013","","","","has coordinates,has disorder","267915","2021-08-03","19:37:39",""
"4518942","16.205","0.006","18.724","0.006","17.194","0.006","90","","111.579","0.012","90","","4851","3","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","21059","","","- C28 H19 Au F2 I P -","- C28 H19 Au F2 I P -","- C224 H152 Au8 F16 I8 P8 -","8","2","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0496","0.0265","","","0.0514","0.0616","","","","","","1.075","","","","has coordinates","267916","2021-08-03","19:38:04",""
"4518943","6.653","0.0004","6.9677","0.0004","27.9699","0.0013","90","","90","","90","","1296.58","0.12","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C52 H60 N4 O20 S4 -","4","1","","Xia, Liwen; Fan, Wenjing; Yuan, Xiang-Ai; Yu, Shouyun","Photoredox-Catalyzed Stereoselective Synthesis of C-Nucleoside Analogues from Glycosyl Bromides and Heteroarenes","ACS Catalysis","2021","","","9397","9406","10.1021/acscatal.1c02088","","","0.71073","MoKα","","0.0356","0.03","","","0.0674","0.0721","","","","","","1.055","","","","has coordinates","267917","2021-08-03","19:38:25",""
"4518944","16.7483","0.0004","16.7483","0.0004","28.9201","0.0007","90","","90","","90","","8112.2","0.3","172.95","0.1","172.95","0.1","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C11 H21 F6 N O4 S2 Sn -","- C11 H21 F6 N O4 S2 Sn -","- C176 H336 F96 N16 O64 S32 Sn16 -","16","0.5","","Sapsford, Joshua S.; Csókás, Dániel; Turnell-Ritson, Roland C.; Parkin, Liam A.; Crawford, Andrew D.; Pápai, Imre; Ashley, Andrew E.","Transition Metal-Free Direct Hydrogenation of Esters via a Frustrated Lewis Pair","ACS Catalysis","2021","","","9143","9150","10.1021/acscatal.1c01940","","x-ray","0.71073","MoKα","","0.0686","0.039","","","0.0817","0.0973","","","","","","1.036","","","","has coordinates,has disorder","267918","2021-08-03","19:39:06",""
"4518945","5.067","0.0002","18.8912","0.0009","20.6194","0.001","90","","90","","90","","1973.72","0.16","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0548","0.047","","","0.1123","0.1186","","","","","","1.022","","","","has coordinates","267919","2021-08-03","19:40:15",""
"4518946","10.1942","0.0009","10.1942","0.0009","14.1934","0.0017","90","","90","","120","","1277.4","0.2","193","","193","","","","","","","","","4","P 32","P 32","145","","","","- C20 H25 N O -","- C20 H25 N O -","- C60 H75 N3 O3 -","3","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0712","0.0517","","","0.115","0.1263","","","","","","1.032","","","","has coordinates","267920","2021-08-03","19:40:35",""
"4518957","31.328","0.002","6.6752","0.0004","15.866","0.001","90","","118.907","0.002","90","","2904.5","0.3","185","2","185","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C144 H104 N8 O24 -","8","1","","Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","[3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid","ACS Catalysis","2021","","","10789","10795","10.1021/acscatal.1c02533","","","0.71073","MoKα","","0.1155","0.0611","","","0.1365","0.1659","","","","","","1.037","","","","has coordinates","268392","2021-09-03","19:29:19",""
"4518958","25.918","0.004","5.5061","0.0008","10.7277","0.0015","90","","101.044","0.005","90","","1502.6","0.4","120","2","120","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","[3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid","ACS Catalysis","2021","","","10789","10795","10.1021/acscatal.1c02533","","","0.71073","MoKα","","0.1083","0.0597","","","0.1164","0.1397","","","","","","1.046","","","","has coordinates","268393","2021-09-03","19:29:40",""
"4518959","10.9903","0.0001","15.5335","0.0002","14.0576","0.0002","90","","99.824","0.001","90","","2364.69","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonon95","(FOX)Fe(OTf)2","","- C18 H17 F6 Fe N3 O9 S2 -","- C18 H17 F6 Fe N3 O9 S2 -","- C72 H68 F24 Fe4 N12 O36 S8 -","4","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.0323","0.0306","","","0.0795","0.0812","","","","","","1.051","","","","has coordinates","268394","2021-09-03","19:30:35",""
"4518960","10.094","0.0002","13.5688","0.0003","14.2285","0.0002","77.548","0.002","80.246","0.002","80.97","0.002","1860.69","0.06","100","0.13","100","0.13","","","","","","","","7","P -1","-P 1","2","jonon94","[(FOX)Fe(CyOH)(OTf)][OTf-CyOH]","","- C30 H41 F6 Fe N3 O11 S2 -","- C30 H41 F6 Fe N3 O11 S2 -","- C60 H82 F12 Fe2 N6 O22 S4 -","2","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.0538","0.0508","","","0.1407","0.1472","","","","","","1.127","","","","has coordinates","268394","2021-09-03","19:30:36",""
"4518961","13.3968","0.0002","9.438","0.0001","20.5184","0.0003","90","","100.509","0.002","90","","2550.81","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonon101","[(FOX)Fe(H2O)2][OTf]2","","- C18 H21 F6 Fe N3 O11 S2 -","- C18 H21 F6 Fe N3 O11 S2 -","- C72 H84 F24 Fe4 N12 O44 S8 -","4","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.0325","0.0306","","","0.0814","0.0825","","","","","","1.084","","","","has coordinates,has disorder","268394","2021-09-03","19:30:36",""
"4518962","13.3866","0.0005","13.6776","0.0009","14.4554","0.0005","97.802","0.004","97.381","0.003","106.208","0.005","2479.2","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonon96","{[(FOX)Fe(OTf)]2(u-O)}[OTf]2","","- C36 H30 F12 Fe2 N6 O19 S4 -","- C36 H30 F12 Fe2 N6 O19 S4 -","- C72 H60 F24 Fe4 N12 O38 S8 -","2","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.1483","0.1074","","","0.2853","0.3316","","","","","","1.287","","","","has coordinates,has disorder","268394","2021-09-03","19:30:36",""
"4518963","4.4456","0.0013","6.653","0.004","21.01","0.0009","90","","90","","90","","621.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","1","","Hasani, Morteza; Kalhor, Hamid R.","Enzyme-Inspired Lysine-Modified Carbon Quantum Dots Performing Carbonylation Using Urea and a Cascade Reaction for Synthesizing 2-Benzoxazolinone","ACS Catalysis","2021","","","10778","10788","10.1021/acscatal.1c01276","","","0.71073","MoKα","","0.0428","0.0413","","","0.1002","0.1012","","","","","","1.181","","","","has coordinates","268395","2021-09-03","19:31:21",""
"4518964","8.7967","0.0005","23.7327","0.0015","22.4247","0.0014","90","","95.521","0.002","90","","4659.9","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 F6 N6 P Rh -","- C46 H46 F6 N6 P Rh -","- C184 H184 F24 N24 P4 Rh4 -","4","1","","Grell, Yvonne; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric","Enantioselective α-Fluorination and α-Chlorination of N-Acyl Pyrazoles Catalyzed by a Non-C2-Symmetric Chiral-at-Rhodium Catalyst","ACS Catalysis","2021","","","11396","11406","10.1021/acscatal.1c02901","","","0.71073","MoKα","","0.0781","0.0475","","","0.0871","0.0954","","","","","","1.022","","","","has coordinates,has disorder","268396","2021-09-03","19:31:46",""
"4518965","11.9513","0.0009","16.5866","0.0013","30.088","0.002","90","","90","","90","","5964.4","0.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H60 Cl4 N7 O2 Rh -","- C64.004 H60.008 Cl4.008 N7 O2 Rh -","- C256.016 H240.032 Cl16.032 N28 O8 Rh4 -","4","1","","Grell, Yvonne; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric","Enantioselective α-Fluorination and α-Chlorination of N-Acyl Pyrazoles Catalyzed by a Non-C2-Symmetric Chiral-at-Rhodium Catalyst","ACS Catalysis","2021","","","11396","11406","10.1021/acscatal.1c02901","","","0.71073","MoKα","","0.0362","0.0307","","","0.0639","0.0655","","","","","","1.074","","","","has coordinates,has disorder","268397","2021-09-03","19:32:16",""
"4518966","35.178","0.006","10.1527","0.0018","14.771","0.003","90","","99.986","0.006","90","","5195.6","1.7","170","2","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H132 Cl4 N8 Ni2 -","- C84 H132 Cl4 N8 Ni2 -","- C168 H264 Cl8 N16 Ni4 -","2","0.5","","Cheng, Xiaokai; Li, Tongtong; Liu, Yuting; Lu, Zhan","Stereo- and Enantioselective Benzylic C‒H Alkenylation via Photoredox/Nickel Dual Catalysis","ACS Catalysis","2021","","","11059","11065","10.1021/acscatal.1c02851","","","0.71073","MoKα","","0.1563","0.07","","","0.1514","0.2091","","","","","","1.014","","","","has coordinates,has disorder","268398","2021-09-03","19:32:42",""
"4518967","10.727","0.008","13.248","0.009","16.141","0.011","90","","90","","90","","2294","3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O2 Pd S2 -","- C24 H32 N2 O2 Pd S2 -","- C96 H128 N8 O8 Pd4 S8 -","4","0.5","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0215","0.0179","","","0.0459","0.0478","","","","","","1.039","","","","has coordinates","268399","2021-09-03","19:33:04",""
"4518968","11.017","0.005","14.127","0.004","16.002","0.006","90","","90","","90","","2490.5","1.6","100","2","100.02","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O2 Pd S2 -","- C24 H32 N2 O2 Pd S2 -","- C96 H128 N8 O8 Pd4 S8 -","4","1","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0293","0.0252","","","0.0501","0.0513","","","","","","1.018","","","","has coordinates,has disorder","268400","2021-09-03","19:33:22",""
"4518969","22.416","0.007","22.416","0.007","24.448","0.01","90","","90","","120","","10639","6","100","2","100.01","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C52 H76 Cl Li N8 O4 Pd2 -","- C52 H76 Cl Li N8 O4 Pd2 -","- C312 H456 Cl6 Li6 N48 O24 Pd12 -","6","1","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0509","0.0419","","","0.1048","0.1103","","","","","","1.072","","","","has coordinates,has disorder","268401","2021-09-03","19:33:49",""
"4518970","7.2482","0.0003","9.4977","0.0004","16.211","0.0007","81.234","0.004","84.074","0.003","68.141","0.004","1022.33","0.08","113.15","","113.15","","","","","","","","","6","P 1","P 1","1","","","","- C20 H28 N O2 P Si -","- C20 H28 N O2 P Si -","- C40 H56 N2 O4 P2 Si2 -","2","2","","Zhang, Hongpeng; Zhao, Dongbing","Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold","ACS Catalysis","2021","","","10748","10753","10.1021/acscatal.1c03112","","x-ray","0.71073","MoKα","","0.0353","0.0333","","","0.0834","0.0852","","","","","","1.051","","","","has coordinates","268402","2021-09-03","19:34:16",""
"4518971","8.5446","0.0003","10.3457","0.0003","22.8129","0.0006","90","","90","","90","","2016.66","0.11","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O Si2 -","- C21 H28 O Si2 -","- C84 H112 O4 Si8 -","4","1","","Zhang, Hongpeng; Zhao, Dongbing","Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold","ACS Catalysis","2021","","","10748","10753","10.1021/acscatal.1c03112","","x-ray","0.71073","MoKα","","0.041","0.036","","","0.0857","0.0894","","","","","","1.047","","","","has coordinates","268403","2021-09-03","19:34:38",""
"4518972","16.795","0.007","7.392","0.003","26.651","0.01","90","","91.163","0.009","90","","3308","2","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C160 H160 N16 O16 -","8","2","","Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi","Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach","ACS Catalysis","2021","","","10847","10854","10.1021/acscatal.1c02653","","","0.71073","MoKα","","0.0774","0.0533","","","0.1283","0.1408","","","","","","1.043","","","","has coordinates","268404","2021-09-03","19:35:41",""
"4518973","8.3714","0.0005","8.8366","0.0006","15.5245","0.0009","94.989","0.002","90.639","0.002","114.72","0.002","1037.8","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl Ir N2 O2 -","- C20 H28 Cl Ir N2 O2 -","- C40 H56 Cl2 Ir2 N4 O4 -","2","1","","Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi","Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach","ACS Catalysis","2021","","","10847","10854","10.1021/acscatal.1c02653","","","0.71073","MoKα","","0.037","0.0336","","","0.0836","0.0853","","","","","","1.094","","","","has coordinates","268405","2021-09-03","19:36:02",""
"4518974","10.7812","0.0004","12.0641","0.0005","22.7561","0.0009","79.809","0.003","85.532","0.002","69.786","0.003","2733.2","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H63 Br0.41 Cl4.59 Ni O5 P2 -","- C47 H59 Br0.411 Cl0.589 Ni O5 P2 -","- C94 H118 Br0.822 Cl1.178 Ni2 O10 P4 -","2","1","","Morrison, Kathleen M.; McGuire, Ryan T.; Ferguson, Michael J.; Stradiotto, Mark","CgPhen-DalPhos Enables the Nickel-Catalyzed O-Arylation of Tertiary Alcohols with (Hetero)Aryl Electrophiles","ACS Catalysis","2021","","","10878","10884","10.1021/acscatal.1c03010","","","1.54178","CuKα","","0.0686","0.0558","","","0.1556","0.166","","","","","","1.051","","","","has coordinates,has disorder","268406","2021-09-03","19:36:28",""
"4518975","9.487","0.0019","10.576","0.003","15.286","0.003","96.2","0.04","91.16","0.03","116.58","0.03","1359.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Cl2 N4 P2 Pd2 -","- C60 H64 Cl2 N4 P2 Pd2 -","- C60 H64 Cl2 N4 P2 Pd2 -","1","0.5","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0516","0.0433","","","0.1022","0.1053","","","","","","1.089","","","","has coordinates","268407","2021-09-03","19:36:48",""
"4518976","38.6949","0.0018","17.3828","0.0007","19.7361","0.0008","90","","99.654","0.003","90","","13087","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H28.5 B0 Cl3 N2 P Pd1.5 -","- C27 H28.5 Cl3 N2 P Pd1.5 -","- C432 H456 Cl48 N32 P16 Pd24 -","16","2","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0835","0.0701","","","0.1881","0.205","","","","","","0.671","","","","has coordinates","268408","2021-09-03","19:37:18",""
"4518977","14.761","0.004","15.803","0.005","17.805","0.005","111.215","0.008","104.832","0.008","96.15","0.008","3649.7","1.9","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C62.46 H62.16 Ag0.16 F9.46 I N4 O10.62 P2 Pd2 S3.16 -","- C62.4615 H62.155 Ag0.15375 F9.4605 I N4 O10.6135 P2 Pd2 S3.1535 -","- C124.923 H124.31 Ag0.3075 F18.921 I2 N8 O21.227 P4 Pd4 S6.307 -","2","1","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","0.71073","MoKα","","0.0765","0.0608","","","0.1567","0.1707","","","","","","1.119","","","","has coordinates,has disorder","268409","2021-09-03","19:37:50",""
"4518978","10.9294","0.0005","12.06","0.0006","14.6295","0.0007","70.649","0.002","71.301","0.002","71.001","0.002","1670.63","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl8 N2 P Pd -","- C29 H31 Cl8 N2 P Pd -","- C58 H62 Cl16 N4 P2 Pd2 -","2","1","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0273","0.026","","","0.0662","0.0672","","","","","","1.049","","","","has coordinates,has disorder","268410","2021-09-03","19:38:15",""
"4518979","11.5675","0.0011","15.2858","0.0015","18.2662","0.0017","90","","90","","90","","3229.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C160 H136 N8 O16 -","8","1","","Yanagimoto, Aika; Uwabe, Yota; Wu, Qikun; Muto, Kei; Yamaguchi, Junichiro","Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst","ACS Catalysis","2021","11","16","10429","10435","10.1021/acscatal.1c02627","","","1.5418","CuKα","","0.0402","0.0368","","","0.0887","0.0908","","","","","","1.07","","","","has coordinates","268411","2021-09-03","19:38:38",""
"4518980","12.6518","0.0002","15.3285","0.0003","16.7761","0.0004","90","","104.703","0.002","90","","3146.91","0.11","99.97","0.11","99.97","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 F Mn N2 O2 P2 -","- C32 H46 F Mn N2 O2 P2 -","- C128 H184 F4 Mn4 N8 O8 P8 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","1.54184","CuKα","","0.0421","0.0388","","","0.103","0.1051","","","","","","1.048","","","","has coordinates","268412","2021-09-03","19:39:12",""
"4518981","12.92524","0.00018","16.7518","0.0002","16.3352","0.0002","90","","101.96","0.0013","90","","3460.14","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Mn N2 O2 P2 -","- C32 H47 Mn N2 O2 P2 -","- C128 H188 Mn4 N8 O8 P8 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","1.54184","CuKα","","0.035","0.0332","","","0.086","0.087","","","","","","1.055","","","","has coordinates,has disorder","268413","2021-09-03","19:39:37",""
"4518982","12.1759","0.0003","13.3287","0.0003","25.6006","0.0006","90","","90","","90","","4154.69","0.17","99.99","0.1","99.99","0.1","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C144 H212 Cl8 F12 Mn4 N8 O20 P8 S4 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","0.71073","MoKα","","0.0536","0.0465","","","0.1097","0.1135","","","","","","1.052","","","","has coordinates,has disorder","268414","2021-09-03","19:40:02",""
"4518983","18.259","0.003","17.663","0.002","11.5624","0.0013","90","","104.816","0.005","90","","3605","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 Ni -","- C48 H40 N4 Ni -","- C192 H160 N16 Ni4 -","4","1","","Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben","Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides","ACS Catalysis","2021","11","16","10223","10227","10.1021/acscatal.1c02913","","","0.71073","MoKα","","0.2162","0.0756","","","0.1124","0.153","","","","","","0.97","","","","has coordinates,has disorder","268415","2021-09-03","19:40:56",""
"4518984","17.2651","0.0013","8.0978","0.0006","20.5663","0.0016","90","","102.933","0.002","90","","2802.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N4 Ni -","- C32 H40 N4 Ni -","- C128 H160 N16 Ni4 -","4","1","","Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben","Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides","ACS Catalysis","2021","11","16","10223","10227","10.1021/acscatal.1c02913","","","0.71073","MoKα","","0.0863","0.0468","","","0.0965","0.1106","","","","","","1.028","","","","has coordinates,has disorder","268416","2021-09-03","19:41:23",""
"4518985","8.1133","0.0001","10.8783","0.0002","30.3409","0.0005","90","","91.993","0.002","90","","2676.23","0.07","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 Fe N2 O2 P2 -","- C19 H42 Fe N2 O2 P2 -","- C76 H168 Fe4 N8 O8 P8 -","4","1","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","1.54184","CuKα","","0.0651","0.0538","","","0.135","0.1445","","","","","","1.054","","","","has coordinates","268417","2021-09-03","19:42:25",""
"4518986","8.1307","0.0005","13.0711","0.0008","13.4922","0.0009","74.165","0.005","79.061","0.005","83.962","0.005","1352.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 Fe N2 O2 P2 -","- C25 H44 Fe N2 O2 P2 -","- C50 H88 Fe2 N4 O4 P4 -","2","1","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.1034","0.0638","","","0.145","0.1733","","","","","","1.029","","","","has coordinates","268417","2021-09-03","19:42:28",""
"4518987","11.3294","0.0002","14.7816","0.0003","18.2519","0.0003","110.842","0.0016","92.5202","0.0015","100.479","0.0016","2789.23","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Fe N2 O2 P2 -","- C24 H48 Fe N2 O2 P2 -","- C96 H192 Fe4 N8 O8 P8 -","4","2","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.0997","0.0848","","","0.1933","0.1997","","","","","","1.169","","","","has coordinates","268417","2021-09-03","19:42:37",""
"4518988","19.181","0.0006","12.4038","0.0004","22.3606","0.0008","90","","90","","90","","5320","0.3","93","2","93","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H45 Fe N O P2 S -","- C24 H45 Fe N O P2 S -","- C192 H360 Fe8 N8 O8 P16 S8 -","8","0.5","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.0255","0.0234","","","0.0598","0.0607","","","","","","1.066","","","","has coordinates","268417","2021-09-03","19:42:40",""
"4518989","8.4036","0.0013","8.9796","0.0011","11.167","0.001","79.028","0.009","81.338","0.01","63.09","0.014","735.69","0.18","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Mo N3 O4 -","- C14 H11 Mo N3 O4 -","- C28 H22 Mo2 N6 O8 -","2","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","x-ray","1.54184","CuKα","","0.117","0.1079","","","0.2775","0.2885","","","","","","1.089","","","","has coordinates","268418","2021-09-03","19:43:28",""
"4518990","13.3874","0.0002","8.8532","0.0001","25.1701","0.0003","90","","90","","90","","2983.19","0.07","150","0.1","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-1","","- C13 H12 Mo N4 O4 -","- C13 H12 Mo N4 O4 -","- C104 H96 Mo8 N32 O32 -","8","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","","1.54184","CuKα","","0.0397","0.0347","","","0.0905","0.0946","","","","","","1.077","","","","has coordinates","268419","2021-09-03","19:43:54",""
"4518991","7.898","0.0005","14.1645","0.0008","17.4273","0.001","90","","98.613","0.003","90","","1927.6","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Mo N4 O4 -","- C17 H20 Mo N4 O4 -","- C68 H80 Mo4 N16 O16 -","4","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","","1.34138","GaKα","","0.0665","0.0452","","","0.114","0.1262","","","","","","1.059","","","","has coordinates","268420","2021-09-03","19:44:16",""
"4518992","9.0787","0.0002","9.6059","0.0002","11.9391","0.0003","85.356","0.002","80.16","0.002","68.34","0.002","953.26","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br2 N2 Ni -","- C20 H20 Br2 N2 Ni -","- C40 H40 Br4 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0501","0.0368","","","0.0844","0.0891","","","","","","1.043","","","","has coordinates","268421","2021-09-03","19:44:37",""
"4518993","16.5425","0.0005","9.582","0.0003","17.3269","0.0005","90","","109.906","0.001","90","","2582.39","0.14","199.99","","199.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O0.61 P Pd -","- C30 H22 Cl N O0.61 P Pd -","- C120 H88 Cl4 N4 O2.44 P4 Pd4 -","4","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0492","0.0472","","","0.1294","0.1313","","","","","","1.151","","","","has coordinates,has disorder","268422","2021-09-03","19:45:03",""
"4518994","8.9273","0.0003","9.4515","0.0003","11.9381","0.0004","86.117","0.001","80.324","0.001","67.532","0.001","917.58","0.05","199.99","","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 Ni -","- C20 H20 Cl2 N2 Ni -","- C40 H40 Cl4 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.028","0.0276","","","0.0707","0.071","","","","","","1.068","","","","has coordinates","268423","2021-09-03","19:45:24",""
"4518995","8.0773","0.0004","9.9718","0.0005","13.0748","0.0006","105.435","0.002","91.184","0.002","91.402","0.002","1014.42","0.09","199.99","","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Br N2 Ni -","- C23 H24 Br N2 Ni -","- C46 H48 Br2 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.027","0.0258","","","0.0669","0.0678","","","","","","1.039","","","","has coordinates","268424","2021-09-03","19:45:47",""
"4518996","8.0595","0.0002","30.6742","0.0007","8.6369","0.0002","90","","112.236","0.002","90","","1976.41","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br2 N2 Ni -","- C20 H20 Br2 N2 Ni -","- C80 H80 Br8 N8 Ni4 -","4","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0521","0.041","","","0.1012","0.1063","","","","","","1.004","","","","has coordinates","268425","2021-09-03","19:46:09",""
"4518997","27.33","0.011","9.978","0.004","17.222","0.006","90","","90.618","0.013","90","","4696","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 I4 N2 Ni O2 -","- C44 H60 I4 N2 Ni O2 -","- C176 H240 I16 N8 Ni4 O8 -","4","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.1036","0.065","","","0.1585","0.1943","","","","","","1.075","","","","has coordinates,has disorder","268427","2021-09-03","19:47:44",""
"4518998","12.7775","0.0013","14.7475","0.0015","15.2774","0.0016","73.188","0.004","86.253","0.004","70.648","0.004","2598.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H80 I2 N2 Ni2 O6.5 -","- C50 H80 I2 N2 Ni2 O6.5 -","- C100 H160 I4 N4 Ni4 O13 -","2","1","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0524","0.0483","","","0.131","0.1337","","","","","","1.127","","","","has coordinates,has disorder","268427","2021-09-03","19:47:44",""
"4518999","14.7031","0.0009","17.8228","0.0011","23.8035","0.0015","90","","90","","90","","6237.7","0.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H82 I2 N6 Ni2 O2 -","- C64 H82 I2 N6 Ni2 O2 -","- C256 H328 I8 N24 Ni8 O8 -","4","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0296","0.0224","","","0.046","0.0487","","","","","","1.08","","","","has coordinates,has disorder","268427","2021-09-03","19:47:45",""
"4519000","11.0239","0.0009","11.4716","0.0009","13.6693","0.0011","81.983","0.003","78.073","0.003","75.856","0.003","1632.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H55 I N Ni O P -","- C34 H55 I N Ni O P -","- C68 H110 I2 N2 Ni2 O2 P2 -","2","1","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0716","0.0425","","","0.0915","0.1027","","","","","","1.028","","","","has coordinates,has disorder","268427","2021-09-03","19:47:45",""
"4519001","29.259","0.003","29.259","0.003","23.165","0.002","90","","90","","120","","17174","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","NiI(PCy3)2 diethyl ether solvate","","","- C36 H66 I Ni P2 -","- C36 H66 I Ni P2 -","- C648 H1188 I18 Ni18 P36 -","18","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0473","0.032","","","0.0784","0.0861","","","","","","1.067","","","","has coordinates","268427","2021-09-03","19:47:45",""
"4519002","7.4617","0.0017","10.686","0.002","10.939","0.003","90","","97.511","0.01","90","","864.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(COD)NiI]2","","","- C16 H24 I2 Ni2 -","- C16 H24 I2 Ni2 -","- C32 H48 I4 Ni4 -","2","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0414","0.0278","","","0.0499","0.0546","","","","","","1.052","","","","has coordinates","268427","2021-09-03","19:47:45",""
"4519050","10.796","0.0005","11.9409","0.0008","14.6196","0.0007","66.034","0.005","84.098","0.004","69.361","0.005","1609.86","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34 Al Cl4 N2 Na O8 -","- C27 H34 Al Cl4 N2 Na O8 -","- C54 H68 Al2 Cl8 N4 Na2 O16 -","2","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0554","0.0425","","","0.1105","0.121","","","","","","1.033","","","","has coordinates,has disorder","269476","2021-10-03","19:47:56",""
"4519051","12.4551","0.0006","15.8089","0.001","16.1748","0.0008","65.273","0.005","82.478","0.004","76.607","0.005","2812.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H61 Al2 Cl3 K2 N4 O16 -","- C51 H61 Al2 Cl3 K2 N4 O16 -","- C102 H122 Al4 Cl6 K4 N8 O32 -","2","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","0.71073","MoKα","","0.1083","0.0609","","","0.1058","0.1294","","","","","","1.046","","","","has coordinates","269476","2021-10-03","19:47:57",""
"4519052","12.546","0.0003","15.7343","0.0004","16.4513","0.0005","64.372","0.003","82.396","0.002","76.638","0.002","2846.84","0.15","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H61 Al2 Cl3 N4 O16 Rb2 -","- C51 H61 Al2 Cl3 N4 O16 Rb2 -","- C102 H122 Al4 Cl6 N8 O32 Rb4 -","2","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0379","0.0323","","","0.0844","0.0884","","","","","","1.029","","","","has coordinates","269476","2021-10-03","19:47:58",""
"4519053","14.9518","0.0002","12.8871","0.0001","16.7675","0.0002","90","","98.577","0.001","90","","3194.72","0.06","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Al Cl3 Cs N2 O8 -","- C26 H31 Al Cl3 Cs N2 O8 -","- C104 H124 Al4 Cl12 Cs4 N8 O32 -","4","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0301","0.028","","","0.0712","0.0727","","","","","","1.046","","","","has coordinates,has disorder","269476","2021-10-03","19:47:58",""
"4519054","15.0779","0.0002","30.1479","0.0004","17.5249","0.0003","90","","114.699","0.002","90","","7237.5","0.2","150","0.13","150","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H76 Al2 K2 N4 O17 -","- C74 H76 Al2 K2 N4 O17 -","- C296 H304 Al8 K8 N16 O68 -","4","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0561","0.0428","","","0.1061","0.1144","","","","","","1.023","","","","has coordinates","269476","2021-10-03","19:47:58",""
"4519055","9.699","0.002","12.175","0.003","14.816","0.004","90.131","0.009","108.339","0.007","103.651","0.008","1608.2","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 B2 F8 Se2 -","- C28 H28 B2 F8 Se2 -","- C56 H56 B4 F16 Se4 -","2","1","","He, Xinxin; Wang, Xinyan; Tse, Ying-Lung Steve; Ke, Zhihai; Yeung, Ying-Yeung","Bis-selenonium Cations as Bidentate Chalcogen Bond Donors in Catalysis","ACS Catalysis","2021","","","12632","12642","10.1021/acscatal.1c03622","","","0.71073","MoKα","","0.0426","0.037","","","0.1063","0.1107","","","","","","1.062","","","","has coordinates","269477","2021-10-03","19:48:41",""
"4519056","8.852","0.0008","12.885","0.0011","13.9065","0.0012","77.061","0.003","87.047","0.003","72.519","0.003","1474.3","0.2","200","2","200","","","","","","","","","5","P 1","P 1","1","","","","- C64 H64 Cl3 N3 O9 -","- C64 H64 Cl3 N3 O9 -","- C64 H64 Cl3 N3 O9 -","1","1","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","1.54178","CuKα","","0.0489","0.0478","","","0.1286","0.1301","","","","","","1.035","","","","has coordinates,has disorder","269478","2021-10-03","19:49:11",""
"4519057","23","0.004","8.9861","0.0017","25.676","0.005","90","","96.451","0.006","90","","5273.1","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br2 N2 O4 -","- C25 H26 Br2 N2 O4 -","- C200 H208 Br16 N16 O32 -","8","4","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","0.71073","MoKα","","0.1914","0.0722","","","0.142","0.1889","","","","","","1.019","","","","has coordinates,has disorder","269479","2021-10-03","19:49:34",""
"4519058","7.2101","0.0001","12.4785","0.0002","26.7627","0.0005","90","","90","","90","","2407.87","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C104 H116 N4 O20 -","4","1","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","1.54178","CuKα","","0.0429","0.0389","","","0.1058","0.1109","","","","","","1.022","","","","has coordinates","269480","2021-10-03","19:49:57",""
"4519059","11.7183","0.0004","14.6907","0.0005","21.1331","0.0007","90","","100.812","0.001","90","","3573.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 Cl2 P2 Pd -","- C35 H56 Cl2 P2 Pd -","- C140 H224 Cl8 P8 Pd4 -","4","1","","Zhu, Bin-Bin; Ye, Wen-Bo; He, Zhi-Tao; Zhang, Shu-Sheng; Feng, Chen-Guo; Lin, Guo-Qiang","Regioselective Tandem C–H Alkylation/Coupling Reaction of ortho-Iodophenylethylenes via C,C-Pallada(II)cycles","ACS Catalysis","2021","11","19","12123","12132","10.1021/acscatal.1c03386","","","0.71073","MoKα","","0.0458","0.0394","","","0.1045","0.1099","","","","","","1.039","","","","has coordinates","269481","2021-10-03","19:50:20",""
"4519060","8.1288","0.0002","13.7875","0.0004","16.7891","0.0006","90","","90","","90","","1881.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O3 -","- C20 H18 Br N O3 -","- C80 H72 Br4 N4 O12 -","4","1","","Xia, Jin-Tao; Li, Ling; Hu, Xiang-Ping","Copper-Catalyzed Decarboxylative Propargylic Alkylation of Enol Carbonates: Stereoselective Synthesis of Quaternary α-Amino Acids","ACS Catalysis","2021","11","19","11843","11848","10.1021/acscatal.1c03421","","","0.71073","MoKα","","0.0498","0.0389","","","0.0948","0.1013","","","","","","1.028","","","","has coordinates","269482","2021-10-03","19:50:53",""
"4519061","7.1752","0.0002","8.6053","0.0002","18.3209","0.0005","83.552","0.002","89.982","0.002","67.377","0.003","1036.44","0.05","123","2","123","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl2 N3 Rh -","- C21 H26 Cl2 N3 Rh -","- C42 H52 Cl4 N6 Rh2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives","ACS Catalysis","2021","11","19","12375","12383","10.1021/acscatal.1c03603","","","0.71073","MoKα","","0.0338","0.0303","","","0.0697","0.0715","","","","","","1.039","","","","has coordinates","269483","2021-10-03","19:51:16",""
"4519062","9.4517","0.0005","10.586","0.0007","13.7057","0.0007","109.919","0.006","90.438","0.004","106.701","0.006","1226.4","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 Si -","- C31 H27 N3 Si -","- C62 H54 N6 Si2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives","ACS Catalysis","2021","11","19","12375","12383","10.1021/acscatal.1c03603","","","1.54184","CuKα","","0.1242","0.0971","","","0.2811","0.3174","","","","","","1.199","","","","has coordinates","269484","2021-10-03","19:51:48",""
"4519063","8.18927","0.00008","12.80314","0.0001","10.83576","0.00009","90","","97.8768","0.0008","90","","1125.39","0.017","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0273","0.0268","","","0.0682","0.0687","","","","","","1.057","","","","has coordinates","269485","2021-10-03","19:52:09",""
"4519064","10.41118","0.00008","17.39267","0.00012","36.5868","0.0002","90","","90","","90","","6625.07","0.08","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Cl3 Co2 I4 O4 -","- C73 H71 Cl3 Co2 I4 O4 -","- C292 H284 Cl12 Co8 I16 O16 -","4","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0465","0.0457","","","0.1226","0.1232","","","","","","1.087","","","","has coordinates","269486","2021-10-03","19:52:41",""
"4519065","15.6752","0.0009","13.0378","0.0008","17.6651","0.0012","90","","110.456","0.002","90","","3382.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N4 O2 -","- C44 H34 N4 O2 -","- C176 H136 N16 O8 -","4","1","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0687","0.0458","","","0.1024","0.1179","","","","","","1.018","","","","has coordinates","269487","2021-10-03","19:53:07",""
"4519066","10.5707","0.0012","14.0848","0.0015","22.353","0.002","90","","94.915","0.004","90","","3315.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","2","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0938","0.0558","","","0.1221","0.1432","","","","","","1.069","","","","has coordinates","269488","2021-10-03","19:53:31",""
"4519067","10.1004","0.0014","10.721","0.0013","13.77","0.002","89.487","0.004","78.138","0.005","80.183","0.004","1437.4","0.3","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","2","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.1164","0.0654","","","0.1461","0.1759","","","","","","1.039","","","","has coordinates","269489","2021-10-03","19:53:54",""
"4519068","15.2287","0.0007","12.7164","0.0005","8.0895","0.0003","90","","92.882","0.001","90","","1564.58","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 Ni O6 -","- C14 H18 N2 Ni O6 -","- C56 H72 N8 Ni4 O24 -","4","0.5","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","1.54178","CuKα","","0.0323","0.0317","","","0.0838","0.0843","","","","","","1.089","","","","has coordinates","269490","2021-10-03","19:54:19",""
"4519069","16.7476","0.0011","9.0897","0.0005","18.6802","0.0012","90","","96.74","0.002","90","","2824","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O2 -","- C36 H30 N4 O2 -","- C144 H120 N16 O8 -","4","1","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0652","0.0452","","","0.1068","0.1212","","","","","","1.031","","","","has coordinates","269491","2021-10-03","19:54:43",""
"4519070","10.5571","0.0002","12.9667","0.0004","21.3679","0.0006","90","","90","","90","","2925.07","0.13","250","2","250","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VL_909_aftercol_250K","","","- C31 H31 N O6.5 S -","- C31 H31 N O6.5 S -","- C124 H124 N4 O26 S4 -","4","1","","Laina-Martín, Víctor; Humbrías-Martín, Jorge; Mas-Ballesté, Rubén; Fernández-Salas, Jose A.; Alemán, José","Enantioselective Inverse-Electron Demand Aza-Diels–Alder Reaction: ipso,α-Selectivity of Silyl Dienol Ethers","ACS Catalysis","2021","11","19","12133","12145","10.1021/acscatal.1c03390","","","0.71073","MoKα","","0.0567","0.0483","","","0.1353","0.1444","","","","","","0.999","","","","has coordinates,has disorder","269492","2021-10-03","19:55:08",""
"4519091","10.76","0.0003","10.7865","0.0003","13.7635","0.0004","90","","104.181","0.002","90","","1548.75","0.08","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H26 B Br Cl3 F4 N O -","- C32 H26 B Br Cl3 F4 N O -","- C64 H52 B2 Br2 Cl6 F8 N2 O2 -","2","1","","Yoshida, Yasushi; Mino, Takashi; Sakamoto, Masami","Chiral Hypervalent Bromine(III) (Bromonium Salt): Hydrogen- and Halogen-Bonding Bifunctional Asymmetric Catalysis by Diaryl-λ3-bromanes","ACS Catalysis","2021","","","13028","13033","10.1021/acscatal.1c04070","","","1.54178","CuKα","","0.0326","0.031","","","0.0849","0.0868","","","","","","0.686","","","","has coordinates","270230","2021-11-03","20:25:44",""
"4519092","27.73","0.005","7.9612","0.0013","19.899","0.003","90","","115.585","0.005","90","","3962.2","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Cl4 N O6 -","- C20 H13 Cl4 N O6 -","- C160 H104 Cl32 N8 O48 -","8","1","","Leng, Lingying; Ready, Joseph M.","Hydroesterification and Difunctionalization of Olefins with N-Hydroxyphthalimide Esters","ACS Catalysis","2021","","","13714","13720","10.1021/acscatal.1c03969","","","0.71073","MoKα","","0.0294","0.0256","","","0.0648","0.0663","","","","","","1.038","","","","has coordinates","270231","2021-11-03","20:26:11",""
"4519093","8.611","0.0006","9.7776","0.0006","8.9599","0.0006","90","","105.121","0.008","90","","728.26","0.09","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N -","- C17 H16 Cl N -","- C34 H32 Cl2 N2 -","2","1","","Pan, Yu-Liang; Shao, Ying-Bo; Wang, Jie; Liu, Zhen; Chen, Li; Li, Xin","Kinetic Resolution of 2H-Azirines by Asymmetric Allylation Reactions","ACS Catalysis","2021","","","13752","13760","10.1021/acscatal.1c03875","","x-ray","0.71073","MoKα","","0.0434","0.0365","","","0.0759","0.0788","","","","","","1.033","","","","has coordinates","270232","2021-11-03","20:26:33",""
"4519094","7.4626","0.0002","8.0078","0.0002","21.165","0.0006","90","","90","","90","","1264.8","0.06","120.04","","120.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C14H12NO2P","","- C14 H12 N O2 P -","- C14 H12 N O2 P -","- C56 H48 N4 O8 P4 -","4","1","","Song, Shu-Yong; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao","Iridium-Catalyzed Enantioselective C–H Borylation of Diarylphosphinates","ACS Catalysis","2021","","","13445","13451","10.1021/acscatal.1c03888","","","1.54178","CuKα","","0.0375","0.0371","","","0.0975","0.098","","","","","","1.039","","","","has coordinates","270233","2021-11-03","20:26:57",""
"4519095","11.6722","0.0002","8.213","0.0002","12.1784","0.0002","90","","100.115","0.001","90","","1149.32","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C56 H52 O8 -","2","1","","Liu, Li-Xia; Huang, Wen-Jun; Xie, Qing-Xian; Wu, Bo; Yu, Chang-Bin; Zhou, Yong-Gui","Dynamic Kinetic Resolution of Flavonoids via Asymmetric Allylic Alkylation: Construction of Two Contiguous Stereogenic Centers on Nucleophiles","ACS Catalysis","2021","","","12859","12863","10.1021/acscatal.1c03732","","","1.54178","CuKα","","0.0507","0.0481","","","0.1202","0.1245","","","","","","1.06","","","","has coordinates","270234","2021-11-03","20:27:19",""
"4519096","10.6678","0.0001","10.723","0.0001","18.8751","0.0003","83.324","0.001","83.81","0.001","76.075","0.001","2074.32","0.04","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O2 Si2 -","- C24 H20 O2 Si2 -","- C96 H80 O8 Si8 -","4","2","","Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming","Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O","ACS Catalysis","2021","","","13696","13705","10.1021/acscatal.1c04141","","","1.34139","GaKα","","0.037","0.0335","","","0.0893","0.0919","","","","","","1.037","","","","has coordinates","270235","2021-11-03","20:27:41",""
"4519097","16.228","0.002","16.9453","0.0019","9.6916","0.0012","90","","92.313","0.01","90","","2662.9","0.6","170","2","169.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl Co F3 N5 O4 S -","- C21 H30 Cl Co F3 N5 O4 S -","- C84 H120 Cl4 Co4 F12 N20 O16 S4 -","4","1","","Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming","Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O","ACS Catalysis","2021","","","13696","13705","10.1021/acscatal.1c04141","","","1.34139","GaKα","","0.1673","0.0971","","","0.2199","0.263","","","","","","1.065","","","","has coordinates","270236","2021-11-03","20:28:05",""
"4519098","10.956","0.005","11.975","0.005","22.501","0.009","86.546","0.01","79.404","0.007","67.694","0.01","2684","2","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","2","","Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin","Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes","ACS Catalysis","2021","11","20","12815","12820","10.1021/acscatal.1c03491","","","0.71073","MoKα","","0.0672","0.0463","","","0.1089","0.1215","","","","","","1.032","","","","has coordinates","270237","2021-11-03","20:28:32",""
"4519099","9.9066","0.0004","11.0766","0.0004","11.6203","0.0005","112.849","0.001","92.575","0.001","92.484","0.001","1171.31","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 B N O4 -","- C24 H36 B N O4 -","- C48 H72 B2 N2 O8 -","2","1","","Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin","Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes","ACS Catalysis","2021","11","20","12815","12820","10.1021/acscatal.1c03491","","","0.71073","MoKα","","0.074","0.0458","","","0.1031","0.118","","","","","","1.021","","","","has coordinates","270238","2021-11-03","20:29:05",""
"4519100","23.3649","0.0007","11.1865","0.0003","19.019","0.0005","90","","95.1336","0.0011","90","","4951.1","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 Ge -","- C31 H34 Ge -","- C248 H272 Ge8 -","8","1","","Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo","Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes","ACS Catalysis","2021","11","20","12777","12784","10.1021/acscatal.1c03769","","","0.71073","MoKα","","0.0268","0.024","","","0.0621","0.0638","","","","","","1.043","","","","has coordinates","270240","2021-11-03","20:29:32",""
"4519101","9.1738","0.0017","10.045","0.002","17.518","0.003","90.845","0.006","96.983","0.006","114.712","0.006","1451.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H55 Co P2 -","- C30 H55 Co P2 -","- C60 H110 Co2 P4 -","2","1","","Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo","Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes","ACS Catalysis","2021","11","20","12777","12784","10.1021/acscatal.1c03769","","","0.71073","MoKα","","0.1602","0.1351","","","0.3143","0.3252","","","","","","1.16","","","","has coordinates","270241","2021-11-03","20:29:53",""
"4519139","8.7046","0.0003","11.9983","0.0004","11.516","0.0004","90","","100.577","0.003","90","","1182.3","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 F N2 O5 -","- C26 H25 F N2 O5 -","- C52 H50 F2 N4 O10 -","2","1","","Lv, Mingjun; Li, Xiaoxun","Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues","ACS Catalysis","2021","","","14829","14835","10.1021/acscatal.1c04460","","x-ray","1.54184","CuKα","","0.0744","0.0663","","","0.1535","0.1627","","","","","","1.055","","","","has coordinates","271020","2021-12-03","20:38:15",""
"4519140","9.7747","0.0003","7.5306","0.0003","14.5872","0.0004","90","","104.962","0.003","90","","1037.35","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl2 N3 O2 -","- C22 H23 Cl2 N3 O2 -","- C44 H46 Cl4 N6 O4 -","2","1","","Lv, Mingjun; Li, Xiaoxun","Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues","ACS Catalysis","2021","","","14829","14835","10.1021/acscatal.1c04460","","x-ray","1.54184","CuKα","","0.0492","0.0426","","","0.111","0.1158","","","","","","1.084","","","","has coordinates,has disorder","271021","2021-12-03","20:38:36",""
"4519141","22.209","0.009","22.209","","38.44","0.02","90","","90","","120","","16420","11","296","","296.15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C57 H27 Ho4 N2 O26 -","- C59 H23 Ho4 N2 O26 -","- C354 H138 Ho24 N12 O156 -","6","0.25","","Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling","Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation","ACS Catalysis","2021","","","14916","14925","10.1021/acscatal.1c04260","","","0.71073","MoKα","","0.0521","0.0398","","","0.0989","0.1058","","","","","","1.097","","","","has coordinates,has disorder","271022","2021-12-03","20:39:07",""
"4519142","22.06","0.004","22.06","0.004","38.082","0.008","90","0.03","90","0.03","120","0.03","16049","7","296","","296.15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C57 H27 N2 O26 Yb4 -","- C57 H27 N2 O26 Yb4 -","- C342 H162 N12 O156 Yb24 -","6","0.25","","Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling","Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation","ACS Catalysis","2021","","","14916","14925","10.1021/acscatal.1c04260","","","0.71073","MoKα","","0.0305","0.027","","","0.073","0.0754","","","","","","1.048","","","","has coordinates,has disorder","271023","2021-12-03","20:39:38",""
"4519143","10.2505","0.0004","14.9948","0.0006","10.2309","0.0004","90","","90","","90","","1572.53","0.11","193","2","192.99","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F2 N O -","- C18 H17 F2 N O -","- C72 H68 F8 N4 O4 -","4","1","","Ma, Shucheng; Li, Fangjie; Zhang, Guisheng; Shi, Lei; Wang, Xiaoming","Highly Regioselective Difluoroalkylarylation of Butadiene through a Nickel-Catalyzed Tandem Radical Process","ACS Catalysis","2021","","","14848","14853","10.1021/acscatal.1c04237","","","1.34139","GaKα","","0.0564","0.0477","","","0.1218","0.1312","","","","","","1.028","","","","has coordinates","271024","2021-12-03","20:40:00",""
"4519144","4.3952","0.0001","18.1094","0.0003","19.3056","0.0003","82.053","0.001","83.462","0.002","83.034","0.002","1503.24","0.05","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H6 F20 -","- C40 H6 F20 -","- C80 H12 F40 -","2","1","","Takahashi, Rikuro; Seo, Tamae; Kubota, Koji; Ito, Hajime","Palladium-Catalyzed Solid-State Polyfluoroarylation of Aryl Halides Using Mechanochemistry","ACS Catalysis","2021","","","14803","14810","10.1021/acscatal.1c03731","","x-ray","1.54184","CuKα","","0.0676","0.0506","","","0.1287","0.1637","","","","","","1.111","","","","has coordinates","271025","2021-12-03","20:40:22",""
"4519145","9.0642","0.0012","13.1695","0.0018","24.86","0.003","90","","94.902","0.002","90","","2956.7","0.7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B10 N O P Pd -","- C27 H30 B10 N O P Pd -","- C108 H120 B40 N4 O4 P4 Pd4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0328","0.0272","","","0.0654","0.0686","","","","","","1.035","","","","has coordinates","271026","2021-12-03","20:44:07",""
"4519146","22.9926","0.0011","6.5798","0.0003","24.1534","0.0012","90","","115.752","0.002","90","","3291.2","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B10 O3 -","- C11 H18 B10 O3 -","- C88 H144 B80 O24 -","8","2","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0828","0.0528","","","0.1334","0.1492","","","","","","1.035","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519147","6.8374","0.0006","18.2868","0.0015","18.8324","0.0016","90","","90","","90","","2354.7","0.3","225","2","225.27","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C19 H24 B10 O5 -","- C19 H24 B10 O5 -","- C76 H96 B40 O20 -","4","0.5","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","1.34138","GaKα","","0.1419","0.1123","","","0.2766","0.2961","","","","","","1.202","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519148","14.2655","0.0018","19.45","0.003","8.314","0.0011","90","","102.863","0.005","90","","2248.9","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 B10 F3 O -","- C21 H21 B10 F3 O -","- C84 H84 B40 F12 O4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0687","0.0464","","","0.1106","0.1199","","","","","","1.068","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519149","22.445","0.012","8.524","0.005","20.897","0.011","90","","116.232","0.008","90","","3586","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 B10 O9 -","- C35 H36 B10 O9 -","- C140 H144 B40 O36 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.1724","0.0882","","","0.2678","0.3467","","","","","","1.021","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519150","12.9702","0.0013","13.498","0.0013","16.6031","0.0016","70.165","0.002","71.761","0.002","64.698","0.002","2423.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 B10 Cl2 N O12 -","- C46 H47 B10 Cl2 N O12 -","- C92 H94 B20 Cl4 N2 O24 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","1.5478","MoKα","","0.1134","0.0834","","","0.2444","0.2836","","","","","","1.069","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519151","15.475","0.0011","25.5038","0.0019","16.9662","0.0012","90","","102.143","0.002","90","","6546.3","0.8","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 B10 N O5 P Pd -","- C43 H42 B10 N O5 P Pd -","- C172 H168 B40 N4 O20 P4 Pd4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1714","0.0747","","","0.1846","0.2321","","","","","","0.979","","","","has coordinates","271026","2021-12-03","20:44:09",""
"4519152","30.248","0.006","12.321","0.002","25.333","0.005","90","","116.221","0.004","90","","8470","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 B10 O -","- C43 H60 B10 O -","- C344 H480 B80 O8 -","8","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1938","0.0888","","","0.1818","0.2224","","","","","","1.023","","","","has coordinates","271026","2021-12-03","20:44:09",""
"4519153","24.4616","0.0012","13.4493","0.0006","18.7508","0.0008","90","","100.232","0.002","90","","6070.7","0.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 B10 O -","- C31 H36 B10 O -","- C248 H288 B80 O8 -","8","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.17","0.1041","","","0.2454","0.2852","","","","","","1.055","","","","has coordinates","271026","2021-12-03","20:44:10",""
"4519154","10.804","0.005","11.906","0.005","25.209","0.011","90.09","0.009","87.216","0.01","88.784","0.011","3238","2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 B20 F8 N2 O2 -","- C66 H58 B20 F8 N2 O2 -","- C132 H116 B40 F16 N4 O4 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.2215","0.1538","","","0.3544","0.3904","","","","","","1.071","","","","has coordinates","271026","2021-12-03","20:44:10",""
"4519155","23.4028","0.0015","10.4909","0.0007","17.9732","0.0013","90","","111.455","0.002","90","","4106.9","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 B10 N O3 S -","- C37 H39 B10 N O3 S -","- C148 H156 B40 N4 O12 S4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.2007","0.1042","","","0.2526","0.2973","","","","","","1.043","","","","has coordinates,has disorder","271026","2021-12-03","20:44:10",""
"4519156","20.541","0.003","21.748","0.003","21.85","0.003","90","","90","","90","","9761","2","296","2","296.15","","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C90 H110 B20 N2 O4 -","- C90 H110 B20 N2 O4 -","- C360 H440 B80 N8 O16 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1428","0.0683","","","0.1512","0.1897","","","","","","0.957","","","","has coordinates","271026","2021-12-03","20:44:11",""
"4519157","12.427","0.012","37.88","0.04","13.129","0.013","90","","103.168","0.019","90","","6018","10","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H73 B10 N -","- C54 H73 B10 N -","- C216 H292 B40 N4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.147","0.094","","","0.261","0.32","","","","","","1.05","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519158","11.646","0.002","11.847","0.002","22.42","0.004","91.159","0.003","103.259","0.003","105.903","0.003","2884.2","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H86 B10 O -","- C59 H86 B10 O -","- C118 H172 B20 O2 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.155","0.0775","","","0.179","0.22","","","","","","1.013","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519159","14.9214","0.0009","15.0111","0.001","17.2386","0.0013","108.538","0.002","106.645","0.002","102.932","0.002","3290","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H83 B9 Cl3 N2 O2 -","- C60 H83 B9 Cl3 N2 O2 -","- C120 H166 B18 Cl6 N4 O4 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1456","0.0837","","","0.2288","0.2717","","","","","","1.001","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519160","10.816","0.0018","16.257","0.003","21.721","0.004","100.657","0.01","92.975","0.011","92.071","0.011","3744.3","1.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H67 B10 N5 O6 -","- C93 H67 B10 N5 O6 -","- C186 H134 B20 N10 O12 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","1.34139","GaKα","","0.2533","0.1008","","","0.2114","0.2683","","","","","","1.074","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519161","10.2419","0.0003","15.1653","0.0005","10.3309","0.0003","90","","103.069","0.003","90","","1563.05","0.08","294.3","0.8","294.3","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 I N2 O3 P -","- C28 H42 I N2 O3 P -","- C56 H84 I2 N4 O6 P2 -","2","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.0664","0.0643","","","0.1636","0.1704","","","","","","1.047","","","","has coordinates","271027","2021-12-03","20:45:53",""
"4519162","10.772","0.0004","13.7803","0.0006","13.8713","0.0006","90","","90","","90","","2059.08","0.15","292.08","0.18","292.08","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 O3 P -","- C25 H21 O3 P -","- C100 H84 O12 P4 -","4","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.063","0.0608","","","0.1528","0.1572","","","","","","1.051","","","","has coordinates","271028","2021-12-03","20:46:15",""
"4519163","11.8935","0.0012","13.9039","0.0016","21.127","0.003","90","","90","","90","","3493.7","0.7","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 Cl3 N O4 P S -","- C33 H37 Cl3 N O4 P S -","- C132 H148 Cl12 N4 O16 P4 S4 -","4","1","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.124","0.0739","","","0.1704","0.2019","","","","","","1.048","","","","has coordinates","271029","2021-12-03","20:46:44",""
"4519164","9.0907","0.0003","19.9189","0.0008","10.3884","0.0004","90","","94.407","0.001","90","","1875.54","0.12","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S2 -","- C19 H17 N O5 S2 -","- C76 H68 N4 O20 S8 -","4","2","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.0664","0.044","","","0.1","0.1132","","","","","","1.018","","","","has coordinates","271030","2021-12-03","20:47:06",""
"4519165","5.693","0.002","7.6997","0.0014","17.596","0.004","90","","90.139","0.016","90","","771.3","0.4","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.1057","0.0392","","","0.1027","0.1169","","","","","","1.028","","","","has coordinates","271031","2021-12-03","20:47:27",""
"4519166","6.4329","0.0001","12.0639","0.0002","35.625","0.0005","90","","90","","90","","2764.71","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N2 -","- C31 H50 N2 -","- C124 H200 N8 -","4","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.0344","0.0321","","","0.082","0.0844","","","","","","1.023","","","","has coordinates","271032","2021-12-03","20:47:49",""
"4519167","10.2524","0.0001","10.0212","0.0001","19.2295","0.0002","90","","90.56","0.001","90","","1975.57","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H57 O P -","- C48 H57 O P -","- C96 H114 O2 P2 -","2","1","","Zhang, Xi; Wang, Juan; Yang, Shang-Dong","Enantioselective Cobalt-Catalyzed Reductive Cross-Coupling for the Synthesis of Axially Chiral Phosphine–Olefin Ligands","ACS Catalysis","2021","11","22","14008","14015","10.1021/acscatal.1c04128","","x-ray","1.54184","CuKα","","0.0473","0.0428","","","0.1019","0.1034","","","","","","1.116","","","","has coordinates","271033","2021-12-03","20:48:12",""
"4519168","10.697","0.004","5.5963","0.0019","12.344","0.004","90","","113.17","0.04","90","","679.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 O -","- C15 H15 F3 O -","- C30 H30 F6 O2 -","2","1","","Zhang, Xinyu; Sivaguru, Paramasivam; Zanoni, Giuseppe; Han, Xinyue; Tong, Minghui; Bi, Xihe","Catalytic Asymmetric C(sp3)–H Carbene Insertion Approach to Access Enantioenriched 3-Fluoroalkyl 2,3-Dihydrobenzofurans","ACS Catalysis","2021","11","22","14293","14301","10.1021/acscatal.1c04523","","x-ray","0.71073","MoKα","","0.0754","0.0485","","","0.1042","0.1261","","","","","","1.045","","","","has coordinates","271034","2021-12-03","20:48:34",""
"4519169","10.224","0.0003","15.6567","0.0005","20.8337","0.0007","102.492","0.001","90.645","0.001","99.746","0.001","3205.02","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 F7 N2 O2 P Pd -","- C33 H28 F7 N2 O2 P Pd -","- C132 H112 F28 N8 O8 P4 Pd4 -","4","2","","Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan","Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants","ACS Catalysis","2021","11","22","14188","14193","10.1021/acscatal.1c04188","","","0.71073","MoKα","","0.0496","0.0371","","","0.082","0.0912","","","","","","1.041","","","","has coordinates,has disorder","271035","2021-12-03","20:48:58",""
"4519170","9.0926","0.0002","10.8538","0.0003","11.6733","0.0003","79.296","0.001","87.955","0.001","81.181","0.001","1118.57","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F7 N3 O5 -","- C21 H18 F7 N3 O5 -","- C42 H36 F14 N6 O10 -","2","1","","Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan","Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants","ACS Catalysis","2021","11","22","14188","14193","10.1021/acscatal.1c04188","","","1.34139","GaKα","","0.0584","0.0534","","","0.1558","0.1606","","","","","","1.083","","","","has coordinates","271036","2021-12-03","20:49:19",""
"4519171","11.2474","0.0002","12.9764","0.0003","13.8903","0.0003","112.797","0.0009","92.8492","0.001","93.8959","0.001","1858.24","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H49 Cl2 N3 O Ru -","- C41 H49 Cl2 N3 O Ru -","- C82 H98 Cl4 N6 O2 Ru2 -","2","1","","Park, Seongwook; Byun, Seunghwan; Ryu, Huijeoung; Hahm, Hyungwoo; Lee, Junseong; Hong, Sukwon","Reversibly Photoswitchable Catalysts for Olefin Metathesis Reactions","ACS Catalysis","2021","11","22","13860","13865","10.1021/acscatal.1c04281","","","0.71073","MoKα","","0.0405","0.0309","","","0.0799","0.1054","","","","","","1.295","","","","has coordinates","271037","2021-12-03","20:49:41",""
"4519172","12.4452","0.0014","8.0989","0.0007","17.7051","0.0015","90","","108.065","0.011","90","","1696.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","0.71073","MoKα","","0.0735","0.0502","","","0.1056","0.1185","","","","","","1.065","","","","has coordinates","271038","2021-12-03","20:50:02",""
"4519173","5.2145","0.0004","15.0019","0.0017","21.336","0.0012","92.576","0.008","90.425","0.007","90.701","0.008","1667.2","0.2","179","40","179","40","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","2","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.1559","0.1135","","","0.3191","0.3639","","","","","","1.081","","","","has coordinates","271039","2021-12-03","20:50:25",""
"4519174","9.1689","0.0008","9.169","0.0008","11.0996","0.0009","88.373","0.007","77.566","0.007","71.735","0.008","864.57","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C38 H44 N4 O10 -","2","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.0655","0.0557","","","0.1536","0.1662","","","","","","1.047","","","","has coordinates","271040","2021-12-03","20:50:46",""
"4519175","5.474","0.0003","30.8299","0.0018","10.1841","0.0006","90","","103.872","0.007","90","","1668.57","0.17","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.088","0.0754","","","0.195","0.2075","","","","","","1.084","","","","has coordinates","271041","2021-12-03","20:51:08",""
"4519176","9.7613","0.0005","8.8089","0.0004","15.2633","0.0008","90","","107.035","0.003","90","","1254.85","0.11","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc","Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines","ACS Catalysis","2021","11","22","14262","14273","10.1021/acscatal.1c03886","","","1.54178","CuKα","","0.043","0.0368","","","0.0938","0.0982","","","","","","1.031","","","","has coordinates","271042","2021-12-03","20:51:29",""
"4519177","9.0544","0.0005","18.8627","0.001","9.465","0.0005","90","","115.243","0.003","90","","1462.16","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 Co P3 Si -","- C27 H44 Co P3 Si -","- C54 H88 Co2 P6 Si2 -","2","1","","Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc","Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines","ACS Catalysis","2021","11","22","14262","14273","10.1021/acscatal.1c03886","","","0.71073","MoKα","","0.0375","0.0301","","","0.0617","0.0639","","","","","","1.015","","","","has coordinates","271043","2021-12-03","20:51:50",""
"4519178","10.6577","0.001","12.06","0.0011","17.0706","0.0015","90","","97.183","0.002","90","","2176.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F6 Ir N2 O4 -","- C20 H21 F6 Ir N2 O4 -","- C80 H84 F24 Ir4 N8 O16 -","4","1","","Zhou, Xiaoguang; Malakar, Santanu; Dugan, Thomas; Wang, Kun; Sattler, Aaron; Marler, David O.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Alkane Dehydrogenation Catalyzed by a Fluorinated Phebox Iridium Complex","ACS Catalysis","2021","11","22","14194","14209","10.1021/acscatal.1c03562","","","0.71073","MoKα","","0.0368","0.0305","","","0.0679","0.0707","","","","","","1.004","","","","has coordinates","271044","2021-12-03","20:52:13",""
"4519179","5.1608","0.0001","12.7726","0.0004","25.3964","0.0007","90","","93.866","0.002","90","","1670.24","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","0.71073","MoKα","","0.0746","0.0513","","","0.1156","0.1295","","","","","","1.031","","","","has coordinates,has disorder","271045","2021-12-03","20:52:40",""
"4519180","7.5807","0.00012","11.25264","0.00018","21.8958","0.0005","90","","97.6552","0.0019","90","","1851.13","0.06","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","2","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","1.54184","CuKα","","0.0599","0.0527","","","0.142","0.1509","","","","","","1.024","","","","has coordinates,has disorder","271046","2021-12-03","20:53:08",""
"4519181","20.07721","0.00019","13.38539","0.00014","17.77134","0.00018","90","","90.3343","0.0009","90","","4775.81","0.08","100.3","0.9","100.3","0.9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H86 O3 P2 Ru -","- C51 H86 O3 P2 Ru -","- C204 H344 O12 P8 Ru4 -","4","1","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","1.54184","CuKα","","0.0358","0.0319","","","0.0821","0.0856","","","","","","1.027","","","","has coordinates","271047","2021-12-03","20:53:46",""
"4519221","8.4176","0.0005","10.9015","0.0006","11.3672","0.0007","110.376","0.005","95.24","0.005","92.506","0.005","970.56","0.1","291.4","0.7","291.4","0.7","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Zhou, Fulin; Shi, Weiming; Liao, Xingrong; Yang, Yudong; Yu, Zhi-Xiang; You, Jingsong","Palladium-Catalyzed [3 + 2] Annulation of Alkynes with Concomitant Aromatic Ring Expansion: A Concise Approach to (Pseudo)azulenes","ACS Catalysis","2021","","","676","686","10.1021/acscatal.1c04549","","x-ray","1.54184","CuKα","","0.0706","0.0627","","","0.1746","0.1885","","","","","","1.018","","","","has coordinates","271717","2022-01-03","20:48:30",""
"4519222","12.3457","0.0003","8.1316","0.0003","21.5494","0.0008","90","","93.192","0.003","90","","2159.99","0.12","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 I N2 O8 -","- C22 H17 I N2 O8 -","- C88 H68 I4 N8 O32 -","4","1","","Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard","Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis","ACS Catalysis","2021","","","809","817","10.1021/acscatal.1c05077","","x-ray","1.54184","CuKα","","0.0522","0.0487","","","0.1322","0.1386","","","","","","1.111","","","","has coordinates","271718","2022-01-03","20:48:55",""
"4519223","11.1669","0.0002","12.9806","0.0002","9.5928","0.0001","90","","103.869","0.001","90","","1349.97","0.04","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F N O -","- C16 H16 F N O -","- C64 H64 F4 N4 O4 -","4","1","","Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard","Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis","ACS Catalysis","2021","","","809","817","10.1021/acscatal.1c05077","","x-ray","1.54184","CuKα","","0.0443","0.0426","","","0.1209","0.1227","","","","","","1.081","","","","has coordinates","271719","2022-01-03","20:49:30",""
"4519224","11.6885","0.0002","9.5916","0.0002","8.4382","0.0002","90","","100.162","0.002","90","","931.18","0.03","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","","Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard","Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis","ACS Catalysis","2021","","","809","817","10.1021/acscatal.1c05077","","x-ray","1.54184","CuKα","","0.0333","0.031","","","0.0845","0.0863","","","","","","1.05","","","","has coordinates","271720","2022-01-03","20:49:52",""
"4519225","11.9115","0.0007","5.2479","0.0003","14.9482","0.0008","90","","103.68","0.005","90","","907.91","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Sb2 -","- C24 H16 Sb2 -","- C48 H32 Sb4 -","2","0.5","","Zhang, Dejiang; Tang, Ting; Zhang, Zhao; Le, Liyuan; Xu, Zhi; Lu, Hao; Tong, Zhou; Zeng, Dishu; Wong, Wai-Yeung; Yin, Shuang-Feng; Ghaderi, Arash; Kambe, Nobuaki; Qiu, Renhua","Nickel- and Palladium-Catalyzed Cross-Coupling of Stibines with Organic Halides: Site-Selective Sequential Reactions with Polyhalogenated Arenes","ACS Catalysis","2021","","","854","867","10.1021/acscatal.1c04533","","x-ray","1.54184","CuKα","","0.0485","0.0466","","","0.1199","0.1234","","","","","","1.058","","","","has coordinates","271721","2022-01-03","20:50:28",""
"4519226","12.3866","0.0009","19.4995","0.0014","11.067","0.0008","90","","105.179","0.001","90","","2579.8","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N Sc Si2 -","- C24 H36 N Sc Si2 -","- C96 H144 N4 Sc4 Si8 -","4","1","","Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei","Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism","ACS Catalysis","2021","","","953","962","10.1021/acscatal.1c04976","","","0.71073","MoKα","","0.0546","0.0428","","","0.1082","0.1165","","","","","","1.036","","","","has coordinates","271722","2022-01-03","20:50:57",""
"4519227","10.3616","0.0009","12.9879","0.0011","13.5432","0.0011","63.2","0.001","87.783","0.001","86.752","0.001","1624","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 N S Sc Si2 -","- C30 H45 N S Sc Si2 -","- C60 H90 N2 S2 Sc2 Si4 -","2","1","","Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei","Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism","ACS Catalysis","2021","","","953","962","10.1021/acscatal.1c04976","","","0.71073","MoKα","","0.0486","0.043","","","0.1327","0.142","","","","","","1.03","","","","has coordinates","271723","2022-01-03","20:51:24",""
"4519228","11.9","0.0007","14.2646","0.0009","16.7857","0.001","90","","104.008","0.001","90","","2764.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 N Sc Si2 -","- C26 H40 N Sc Si2 -","- C104 H160 N4 Sc4 Si8 -","4","1","","Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei","Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism","ACS Catalysis","2021","","","953","962","10.1021/acscatal.1c04976","","","0.71073","MoKα","","0.0647","0.0486","","","0.135","0.1443","","","","","","1.07","","","","has coordinates","271724","2022-01-03","20:51:48",""
"4519229","8.3799","0.0005","15.5214","0.0011","26.1574","0.0015","90","","90","","90","","3402.2","0.4","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 O P -","- C44 H37 O P -","- C176 H148 O4 P4 -","4","1","","Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide","ACS Catalysis","2021","","","193","199","10.1021/acscatal.1c05080","","","0.71073","MoKα","","0.1471","0.0579","","","0.1005","0.1296","","","","","","1.008","","","","has coordinates","271725","2022-01-03","20:52:18",""
"4519230","12.5608","0.0008","12.5608","0.0008","22.1603","0.0016","90","","90","","120","","3027.9","0.3","273.15","","273.15","","","","","","","","","4","P 32","P 32","145","","","","- C50 H47 O2 P -","- C50 H47 O2 P -","- C150 H141 O6 P3 -","3","1","","Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide","ACS Catalysis","2021","","","193","199","10.1021/acscatal.1c05080","","","0.71073","MoKα","","0.1154","0.0667","","","0.1457","0.1659","","","","","","1.045","","","","has coordinates","271726","2022-01-03","20:52:43",""
"4519231","21.1226","0.0002","21.1226","0.0002","10.9251","0.0001","90","","90","","120","","4221.34","0.07","100","0.1","100","0.1","","","","","","","","3","P 61","P 61","169","","","","- C35 H28 O -","- C35 H28 O -","- C210 H168 O6 -","6","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.074","0.0745","","","","","","1.07","","","","has coordinates","271727","2022-01-03","20:53:14",""
"4519232","8.2675","0.0006","22.137","0.0016","13.9373","0.001","90","","94.199","0.003","90","","2543.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 O -","- C35 H30 O -","- C140 H120 O4 -","4","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","","0.71073","MoKα","","0.0603","0.0414","","","0.0942","0.1042","","","","","","1.014","","","","has coordinates","271728","2022-01-03","20:53:43",""
"4519233","11.666","0.004","13.404","0.005","14.893","0.006","90","","90","","90","","2328.8","1.5","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 O -","- C31 H30 O -","- C124 H120 O4 -","4","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","","0.71073","MoKα","","0.0614","0.0442","","","0.1","0.1083","","","","","","1.052","","","","has coordinates","271729","2022-01-03","20:54:12",""
"4519234","12.466","0.0011","10.8013","0.0009","17.4755","0.0015","90","","103.026","0.003","90","","2292.5","0.3","99","2","99","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 O -","- C31 H28 O -","- C124 H112 O4 -","4","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","","0.71073","MoKα","","0.0606","0.0415","","","0.0947","0.1048","","","","","","1.021","","","","has coordinates","271730","2022-01-03","20:54:41",""
"4519235","8.148","0.0005","10.0931","0.0005","14.7699","0.0008","90","","103.183","0.006","90","","1182.65","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O -","- C32 H30 O -","- C64 H60 O2 -","2","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.032","0.0306","","","0.0808","0.0817","","","","","","1.079","","","","has coordinates","271731","2022-01-03","20:55:07",""
"4519236","12.4891","0.0006","10.8641","0.0004","18.442","0.0008","90","","108.646","0.005","90","","2370.92","0.19","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H56 O2 -","- C62 H56 O2 -","- C124 H112 O4 -","2","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.0675","0.0662","","","0.2052","0.206","","","","","","1.113","","","","has coordinates","271732","2022-01-03","20:55:34",""
"4519237","11.5463","0.0001","9.2472","0.0001","12.8427","0.0001","90","","93.224","0.001","90","","1369.06","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H37 N3 O2 -","- C30 H37 N3 O2 -","- C60 H74 N6 O4 -","2","1","","Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution","ACS Catalysis","2021","","","877","891","10.1021/acscatal.1c04923","","x-ray","1.54184","CuKα","","0.0569","0.05","","","0.1322","0.1339","","","","","","1.284","","","","has coordinates","271733","2022-01-03","20:56:10",""
"4519238","12.1856","0.0004","6.3673","0.0002","21.5285","0.0007","90","","103.252","0.002","90","","1625.9","0.09","149.99","","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","4p","","- C14 H17 Br N4 O2 -","- C14 H17 Br N4 O2 -","- C56 H68 Br4 N16 O8 -","4","2","","Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution","ACS Catalysis","2021","","","877","891","10.1021/acscatal.1c04923","","","1.54178","CuKα","","0.0474","0.0436","","","0.1048","0.1077","","","","","","1.07","","","","has coordinates,has disorder","271734","2022-01-03","20:56:32",""
"4519239","11.2619","0.0006","12.7827","0.0009","13.9681","0.0008","97.941","0.005","98.176","0.004","110.026","0.006","1831.9","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N4 O4 -","- C46 H40 N4 O4 -","- C92 H80 N8 O8 -","2","1","","Kumar, Prashant; Kumar, Pravesh; Venkataramani, Sugumar; Ramasastry, S. S. V.","Pd-Catalyzed Formal [3 + 3] Heteroannulation of Allylic gem-Diacetates: Synthesis of Chromene-Based Natural Products and Exploration of Photochromic Properties","ACS Catalysis","2021","","","963","970","10.1021/acscatal.1c05450","","x-ray","0.71073","MoKα","","0.1945","0.1148","","","0.2808","0.3399","","","","","","1.5683","","","","has coordinates","271735","2022-01-03","20:57:07",""
"4519240","11.7358","0.0018","10.5737","0.0011","13.773","0.002","90","","114.81","0.018","90","","1551.4","0.4","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cromin","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Kumar, Prashant; Kumar, Pravesh; Venkataramani, Sugumar; Ramasastry, S. S. V.","Pd-Catalyzed Formal [3 + 3] Heteroannulation of Allylic gem-Diacetates: Synthesis of Chromene-Based Natural Products and Exploration of Photochromic Properties","ACS Catalysis","2021","","","963","970","10.1021/acscatal.1c05450","","x-ray","0.71073","MoKα","","0.0625","0.0452","","","0.1188","0.1377","","","","","","1.052","","","","has coordinates","271736","2022-01-03","20:57:30",""
"4519241","7.8207","0.0004","8.7434","0.0005","12.0792","0.0007","103.452","0.001","90.191","0.002","108.144","0.001","760.8","0.07","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","2","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0297","0.0296","","","0.0802","0.0804","","","","","","1.07","","","","has coordinates","271737","2022-01-03","20:57:51",""
"4519242","11.8561","0.001","10.1465","0.0008","12.2213","0.0011","90","","91.807","0.009","90","","1469.5","0.2","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","2","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0285","0.0283","","","0.0721","0.0722","","","","","","1.038","","","","has coordinates","271738","2022-01-03","20:58:16",""
"4519243","8.81977","0.00006","11.79139","0.00007","14.962","0.00009","90","","90","","90","","1556.01","0.017","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","x-ray","1.54184","CuKα","","0.0243","0.0241","","","0.0618","0.0619","","","","","","1.054","","","","has coordinates","271739","2022-01-03","20:58:54",""
"4519244","28.6928","0.0009","28.6928","0.0009","5.8824","0.0003","90","","90","","120","","4194","0.3","170","2","170","","","","","","","","","4","P 31","P 31","144","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C216 H171 N9 O18 -","9","3","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0699","0.0559","","","0.1358","0.1553","","","","","","1.106","","","","has coordinates","271740","2022-01-03","20:59:18",""
"4519245","9.2834","0.0006","9.3346","0.0006","15.0022","0.001","91.257","0.002","105.396","0.002","99.442","0.002","1233.47","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Cl2 Co N4 O6 -","- C25 H18 Cl2 Co N4 O6 -","- C50 H36 Cl4 Co2 N8 O12 -","2","1","","Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent","Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation","ACS Catalysis","2021","11","24","15068","15082","10.1021/acscatal.1c04617","","x-ray","0.71073","MoKα","","0.0408","0.0288","","","0.0639","0.0688","","","","","","1.029","","","","has coordinates,has disorder","271741","2022-01-03","20:59:58",""
"4519246","24.944","0.0008","10.3178","0.0004","33.2933","0.001","90","","93.102","0.002","90","","8556","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H57 Cl2 Co4 N24 O24 -","- C81 H57 Cl2 Co4 N24 O24 -","- C324 H228 Cl8 Co16 N96 O96 -","4","1","","Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent","Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation","ACS Catalysis","2021","11","24","15068","15082","10.1021/acscatal.1c04617","","","1.54178","CuKα","","0.1458","0.0797","","","0.1877","0.231","","","","","","1.021","","","","has coordinates,has disorder","271741","2022-01-03","20:59:58",""
"4519247","6.0388","0.0004","7.0061","0.0004","31.925","0.002","90","","95.408","0.002","90","","1344.68","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N S -","- C16 H19 N S -","- C64 H76 N4 S4 -","4","1","","Xu, Xian; Zheng, Xizhou; Xu, Xin","Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes","ACS Catalysis","2021","11","24","14995","15003","10.1021/acscatal.1c04657","","","0.71073","MoKα","","0.058","0.0438","","","0.109","0.1206","","","","","","1.066","","","","has coordinates","271742","2022-01-03","21:00:26",""
"4519248","10.1618","0.0005","13.2018","0.0006","13.798","0.0006","92.736","0.002","93.818","0.002","93.332","0.002","1841.35","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 N2 -","- C48 H50 N2 -","- C96 H100 N4 -","2","1","","Xu, Xian; Zheng, Xizhou; Xu, Xin","Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes","ACS Catalysis","2021","11","24","14995","15003","10.1021/acscatal.1c04657","","","1.34138","GaKα","","0.092","0.0555","","","0.1323","0.1518","","","","","","1.046","","","","has coordinates","271743","2022-01-03","21:00:52",""
"4519249","8.1567","0.0014","10.4245","0.0019","35.595","0.006","90","","90","","90","","3026.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F12 Fe N8 P2 -","- C26 H26 F12 Fe N8 P2 -","- C104 H104 F48 Fe4 N32 P8 -","4","1","","Gonell, Sergio; Assaf, Eric A.; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Bis(carbene) Catalyst for Low Overpotential CO2 Electroreduction to CO: Mechanistic Insights from Kinetic Zone Diagrams, Spectroscopy, and Theory","ACS Catalysis","2021","11","24","15212","15222","10.1021/acscatal.1c04414","","","0.71073","MoKα","","0.0828","0.0762","","","0.1746","0.1771","","","","","","1.209","","","","has coordinates,has disorder","271744","2022-01-03","21:01:18",""
"4519250","15.2089","0.0014","6.4415","0.0005","15.8188","0.0013","90","","103.255","0.009","90","","1508.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O5 S -","- C13 H18 N2 O5 S -","- C52 H72 N8 O20 S4 -","4","2","","Li, Shuangqing; Wang, Shuangshuang; Li, Juan; Qi, Yue; Wang, Chao; Zong, Lili; Tan, Choon-Hong","Monocationic Cinchoninium Catalyzed Asymmetric Oxohydroxylation of Enoates","ACS Catalysis","2021","11","24","15141","15148","10.1021/acscatal.1c04849","","x-ray","0.71073","MoKα","","0.0742","0.0572","","","0.108","0.1196","","","","","","1.019","","","","has coordinates","271745","2022-01-03","21:01:54",""
"4519251","11.2477","0.0007","11.2911","0.0007","11.5245","0.0007","85.163","0.004","69.406","0.003","65.577","0.003","1244.26","0.14","233","2","233","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","2","","Hirose, Jumpei; Wakikawa, Takumi; Satake, Shun; Kojima, Masahiro; Hatano, Manabu; Ishihara, Kazuaki; Yoshino, Tatsuhiko; Matsunaga, Shigeki","Cp*RhIII/Chiral Disulfonate/CuOAc Catalyst System for the Enantioselective Intramolecular Oxyamination of Alkenes","ACS Catalysis","2021","11","24","15187","15193","10.1021/acscatal.1c04699","","","1.5418","CuKα","","0.0396","0.0377","","","0.1048","0.1062","","","","","","1.062","","","","has coordinates","271746","2022-01-03","21:02:16",""
"4519283","10.159","0.004","9.178","0.004","17.895","0.007","90","","96.617","0.012","90","","1657.4","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 Cl4 Co4 F4 N8 O8 -","- C64 H64 Cl4 Co4 F4 N8 O8 -","- C64 H64 Cl4 Co4 F4 N8 O8 -","1","0.25","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0297","0.0238","","","0.0539","0.057","","","","","","1.05","","","","has coordinates","272453","2022-02-03","20:34:58",""
"4519284","9.1336","0.0004","12.9774","0.0005","18.9147","0.0007","99.113","0.002","96.967","0.002","107.686","0.002","2074.56","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H130 Cl2 Co2 N8 O8 -","- C78 H130 Cl2 Co2 N8 O8 -","- C78 H130 Cl2 Co2 N8 O8 -","1","0.5","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.057","0.0423","","","0.09","0.0969","","","","","","1.091","","","","has coordinates,has disorder","272454","2022-02-03","20:35:17",""
"4519285","14.2566","0.0007","14.6272","0.0006","15.6252","0.0007","73.694","0.002","69.455","0.002","86.611","0.002","2925.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Co N2 O2 -","- C54 H76 Co N2 O2 -","- C108 H152 Co2 N4 O4 -","2","1","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0862","0.0697","","","0.1661","0.1732","","","","","","1.137","","","","has coordinates,has disorder","272455","2022-02-03","20:35:41",""
"4519286","9.9281","0.0002","19.0648","0.0004","16.0575","0.0003","90","","103.738","0.001","90","","2952.37","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl8 Co2 N4 O8 -","- C58 H56 Cl8 Co2 N4 O8 -","- C116 H112 Cl16 Co4 N8 O16 -","2","0.5","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0453","0.0368","","","0.081","0.0843","","","","","","1.088","","","","has coordinates,has disorder","272456","2022-02-03","20:36:05",""
"4519287","8.9504","0.0002","11.3578","0.0003","11.9921","0.0003","84.297","0.001","87.43","0.001","71.693","0.001","1151.53","0.05","273","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Co2 N4 O8 -","- C56 H48 Co2 N4 O8 -","- C56 H48 Co2 N4 O8 -","1","0.5","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0359","0.0296","","","0.0719","0.0751","","","","","","1.062","","","","has coordinates","272457","2022-02-03","20:36:26",""
"4519288","9.1912","0.0007","12.9247","0.0008","18.6126","0.0005","97.232","0.004","97.041","0.005","109.612","0.006","2033.8","0.2","274","30","274","30","","","","","","","","6","P 1","P 1","1","","","","- C20 H21 F2 N O3 Si -","- C20 H21 F2 N O3 Si -","- C80 H84 F8 N4 O12 Si4 -","4","4","","Fang, Xiaowu; Wen, Songwei; Jin, Peishen; Bao, Wenjing; Liu, Shanshan; Cong, Hengjiang; Shen, Xiao","Synthesis of Enantioenriched Fluorinated Enol Silanes Enabled by Asymmetric Reductive Coupling of Fluoroalkylacylsilanes and 1,3-Enynes and Brook Rearrangement","ACS Catalysis","2022","","","2150","2157","10.1021/acscatal.2c00100","","x-ray","1.54184","CuKα","","0.2528","0.1285","","","0.3256","0.4322","","","","","","1.138","","","","has coordinates","272458","2022-02-03","20:36:56",""
"4519289","11.6087","0.0002","12.4217","0.0002","22.4749","0.0004","90","","90","","90","","3240.88","0.1","120","2","120.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 B2 F3 Fe N O6 -","- C32 H40 B2 F3 Fe N O6 -","- C128 H160 B8 F12 Fe4 N4 O24 -","4","1","","Zou, Xiaoliang; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao","Chiral Bidentate Boryl Ligand-Enabled Iridium-Catalyzed Enantioselective Dual C–H Borylation of Ferrocenes: Reaction Development and Mechanistic Insights","ACS Catalysis","2022","","","1830","1840","10.1021/acscatal.1c05299","","","1.54178","CuKα","","0.0476","0.0464","","","0.1128","0.1135","","","","","","1.035","","","","has coordinates","272459","2022-02-03","20:37:23",""
"4519290","9.8706","0.0004","5.4872","0.0002","20.3442","0.0008","90","","95.248","0.002","90","","1097.26","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 S -","- C22 H24 Cl N O4 S -","- C44 H48 Cl2 N2 O8 S2 -","2","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0374","0.0367","","","0.0935","0.0942","","","","","","1.052","","","","has coordinates,has disorder","272460","2022-02-03","20:37:50",""
"4519291","22.954","0.003","8.0412","0.0011","10.4938","0.0014","90","","94.297","0.005","90","","1931.5","0.4","172","2","172","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0303","0.0298","","","0.08","0.0805","","","","","","1.071","","","","has coordinates","272461","2022-02-03","20:38:11",""
"4519292","5.3884","0.0001","14.8582","0.0003","23.6108","0.0005","90","","90","","90","","1890.33","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0559","0.0473","","","0.114","0.1265","","","","","","1.071","","","","has coordinates","272462","2022-02-03","20:38:28",""
"4519293","4.6204","0.0001","7.0144","0.0001","36.1467","0.0005","90","","90","","90","","1171.49","0.03","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Gu, Xue-Song; Xiong, Ying; Yang, Fan; Yu, Na; Yan, Pu-Cha; Xie, Jian-Hua; Zhou, Qi-Lin","Enantioselective Hydrogenation toward Chiral 3-Aryloxy Tetrahydrofurans Enabled by Spiro Ir-PNN Catalysts Containing an Unusual 5-Substituted Chiral Oxazoline Unit","ACS Catalysis","2022","","","2206","2211","10.1021/acscatal.1c05746","","x-ray","1.54184","CuKα","","0.0325","0.0318","","","0.096","0.0966","","","","","","1.031","","","","has coordinates","272463","2022-02-03","20:38:50",""
"4519294","13.1519","0.0004","27.2945","0.0008","14.7065","0.0004","90","","97.54","0.003","90","","5233.6","0.3","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Co N4 O11 S2 -","- C51 H59 Co N4 O11 S2 -","- C204 H236 Co4 N16 O44 S8 -","4","1","","Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long","Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization","ACS Catalysis","2022","","","1650","1656","10.1021/acscatal.1c05250","","x-ray","1.54184","CuKα","","0.1068","0.0762","","","0.2147","0.2296","","","","","","1.064","","","","has coordinates","272464","2022-02-03","20:39:20",""
"4519295","30.4714","0.0006","7.81348","0.00013","16.8852","0.0003","90","","96.0459","0.0016","90","","3997.8","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C208 H160 N16 O8 -","8","1","","Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long","Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization","ACS Catalysis","2022","","","1650","1656","10.1021/acscatal.1c05250","","x-ray","1.54184","CuKα","","0.0535","0.0457","","","0.1261","0.1363","","","","","","1.029","","","","has coordinates","272465","2022-02-03","20:39:50",""
"4519296","11.9758","0.0004","27.1961","0.0009","12.687","0.0004","90","","107.865","0.002","90","","3932.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N2 Ni O5 P2 S -","- C42 H42 N2 Ni O5 P2 S -","- C168 H168 N8 Ni4 O20 P8 S4 -","4","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.054","0.042","","","0.1083","0.1169","","","","","","1.032","","","","has coordinates","272466","2022-02-03","20:41:08",""
"4519297","10.7191","0.0003","12.009","0.0004","18.2064","0.0006","82.6614","0.0012","76.5673","0.0011","71.5732","0.001","2158.89","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H51 N Ni O5 P2 S -","- C48 H51 N Ni O5 P2 S -","- C96 H102 N2 Ni2 O10 P4 S2 -","2","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.0371","0.0363","","","0.0923","0.0929","","","","","","1.026","","","","has coordinates","272467","2022-02-03","20:41:32",""
"4519298","13.07","0.002","14.339","0.003","21.988","0.004","90","","90","","90","","4120.8","1.3","123","","123.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C160 H160 B8 Cl12 Cu4 F32 N16 O8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0822","0.0659","","","0.1912","0.2042","","","","","","1.009","","","","has coordinates","272468","2022-02-03","20:41:56",""
"4519299","14.6616","0.0011","15.7092","0.0013","19.6198","0.0016","90","","90","","90","","4518.9","0.6","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cu F6 N4 O10 S2 -","- C41 H48 Cu F6 N4 O10 S2 -","- C164 H192 Cu4 F24 N16 O40 S8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0443","0.0411","","","0.1084","0.1099","","","","","","1.033","","","","has coordinates","272469","2022-02-03","20:42:19",""
"4519300","24.644","0.0014","7.0908","0.0004","20.5784","0.0013","90","","91.432","0.002","90","","3594.9","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes","ACS Catalysis","2022","12","2","993","1003","10.1021/acscatal.1c04580","","","0.71073","MoKα","","0.0837","0.0643","","","0.1632","0.1761","","","","","","1.089","","","","has coordinates","272471","2022-02-03","20:42:45",""
"4519301","14.4266","0.0002","7.4071","0.0001","33.2757","0.0006","90","","96.682","0.001","90","","3531.66","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 O8 S2 -","- C40 H38 N2 O8 S2 -","- C160 H152 N8 O32 S8 -","4","1","","He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle","ACS Catalysis","2022","12","2","1595","1600","10.1021/acscatal.1c05675","","x-ray","1.54184","CuKα","","0.0434","0.04","","","0.1062","0.109","","","","","","1.052","","","","has coordinates","272472","2022-02-03","20:43:21",""
"4519302","27.2805","0.0005","9.5063","0.0002","18.9097","0.0003","90","","92.819","0.002","90","","4898.04","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C224 H296 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.0741","0.0663","","","0.1442","0.1482","","","","","","1.088","","","","has coordinates","272473","2022-02-03","20:43:47",""
"4519303","24.2586","0.0015","10.3745","0.0007","18.8315","0.0008","90","","93.703","0.004","90","","4729.4","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 N O3 -","- C25 H36 N O3 -","- C200 H288 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.1135","0.0947","","","0.1595","0.1672","","","","","","1.072","","","","has coordinates,has disorder","272474","2022-02-03","20:44:22",""
"4519304","4.86815","0.00014","8.4796","0.0003","15.0305","0.0004","75.423","0.002","85.496","0.002","84.466","0.002","596.74","0.03","140.01","0.1","140.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","1","","Leclair, Alexandre; Wang, Qian; Zhu, Jieping","Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine","ACS Catalysis","2022","12","2","1209","1215","10.1021/acscatal.1c05621","","x-ray","1.54184","CuKα","","0.0355","0.0346","","","0.0879","0.0887","","","","","","1.032","","","","has coordinates","272475","2022-02-03","20:44:45",""
"4519305","26.2423","0.001","15.2953","0.0004","7.4169","0.0002","90","","90","","90","","2977.02","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","1.54184","CuKα","","0.0639","0.0544","","","0.1354","0.1431","","","","","","1.087","","","","has coordinates,has disorder","272476","2022-02-03","20:45:08",""
"4519306","6.8134","0.0005","14.9283","0.0008","16.487","0.0009","87.748","0.004","78.963","0.005","79.267","0.005","1617.11","0.18","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H35 N3 O8 -","- C36 H35 N3 O8 -","- C72 H70 N6 O16 -","2","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","0.71073","MoKα","","0.0994","0.0703","","","0.1649","0.1945","","","","","","1.042","","","","has coordinates","272477","2022-02-03","20:45:31",""
"4519307","6.36481","0.00013","17.9645","0.0004","18.8399","0.0004","90","","90","","90","","2154.17","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O4 -","- C23 H25 N5 O4 -","- C92 H100 N20 O16 -","4","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","1.54184","CuKα","","0.04","0.038","","","0.1006","0.1024","","","","","","1.124","","","","has coordinates","272478","2022-02-03","20:45:51",""
"4519327","8.9764","0.0005","10.4533","0.0006","16.0723","0.001","90","","90","","90","","1508.11","0.15","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Peng, Yaqin; Gao, Chenghua; Zhang, Zili; Wu, Shijie; Zhao, Jing; Li, Aitao","A Chemoenzymatic Strategy for the Synthesis of Steroid Drugs Enabled by P450 Monooxygenase-Mediated Steroidal Core Modification","ACS Catalysis","2022","","","2907","2914","10.1021/acscatal.1c05776","","","1.54178","CuKα","","0.0536","0.0313","","","0.0801","0.0856","","","","","","1.074","","","","has coordinates","273237","2022-03-03","20:18:42",""
"4519328","9.295","0.006","9.951","0.006","18.689","0.011","96.21","0.02","96.947","0.019","109.414","0.017","1597.9","1.7","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 N3 O3 Sc Si2 -","- C29.974 H49.948 N3 O3 Sc Si2 -","- C59.948 H99.896 N6 O6 Sc2 Si4 -","2","1","","Belli, Roman G.; Tafuri, Victoria C.; Joannou, Matthew V.; Roberts, Courtney C.","d0 Metal-Catalyzed Alkyl–Alkyl Cross-Coupling Enabled by a Redox-Active Ligand","ACS Catalysis","2022","","","3094","3099","10.1021/acscatal.1c06002","","","0.71073","MoKα","","0.0808","0.0483","","","0.1159","0.1316","","","","","","1.032","","","","has coordinates","273238","2022-03-03","20:19:11",""
"4519329","6.7812","0.0001","22.3955","0.0005","12.8222","0.0002","90","","105.197","0.001","90","","1879.19","0.06","193","2","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Fe N O3 -","- C22 H19 Fe N O3 -","- C88 H76 Fe4 N4 O12 -","4","2","","Wang, Quannan; Nie, Yu-Han; Liu, Chen-Xu; Zhang, Wen-Wen; Wu, Zhi-Jie; Gu, Qing; Zheng, Chao; You, Shu-Li","Rhodium(III)-Catalyzed Enantioselective C–H Activation/Annulation of Ferrocenecarboxamides with Internal Alkynes","ACS Catalysis","2022","","","3083","3093","10.1021/acscatal.2c00083","","","1.34139","GaKα","","0.0621","0.0495","","","0.1203","0.1294","","","","","","1.028","","","","has coordinates","273239","2022-03-03","20:19:35",""
"4519330","8.8621","0.0013","10.1071","0.0015","10.9059","0.0015","93.225","0.004","112.881","0.004","109.629","0.004","827.8","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O -","- C23 H18 O -","- C46 H36 O2 -","2","1","","Abel-Snape, Xavier; Wycich, Gina; Lautens, Mark","Synthesis of Indenes and Benzofulvenes via a Palladium-Catalyzed Three-Component Reaction","ACS Catalysis","2022","","","3291","3301","10.1021/acscatal.1c06046","","","0.71073","MoKα","","0.0672","0.0413","","","0.0897","0.1","","","","","","1.043","","","","has coordinates","273240","2022-03-03","20:20:05",""
"4519331","6.37486","0.00013","13.7162","0.0003","15.6002","0.0004","90","","90","","90","","1364.06","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W.","Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates","ACS Catalysis","2022","","","2854","2860","10.1021/acscatal.1c05773","","","0.71075","MoKα","","0.0316","0.0299","","","0.0758","0.0767","","","","","","1.053","","","","has coordinates","273241","2022-03-03","20:20:26",""
"4519332","7.4832","0.0007","16.3724","0.0016","8.0317","0.0008","90","","109.335","0.002","90","","928.53","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W.","Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates","ACS Catalysis","2022","","","2854","2860","10.1021/acscatal.1c05773","","","0.71073","MoKα","","0.0415","0.0359","","","0.0964","0.1004","","","","","","1.137","","","","has coordinates","273242","2022-03-03","20:20:50",""
"4519333","6.8234","0.0012","9.9156","0.0018","10.9182","0.0018","90","","93.902","0.004","90","","737","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W.","Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates","ACS Catalysis","2022","","","2854","2860","10.1021/acscatal.1c05773","","","0.71073","MoKα","","0.0579","0.0468","","","0.1242","0.1332","","","","","","1.053","","","","has coordinates","273243","2022-03-03","20:21:12",""
"4519334","9.7943","0.0009","10.8646","0.0009","13.9683","0.0011","100.077","0.003","105.481","0.003","107.418","0.003","1313.2","0.2","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H45 B F4 N2 Ni O P2 -","- C20 H45 B F4 N2 Ni O P2 -","- C40 H90 B2 F8 N4 Ni2 O2 P4 -","2","1","","Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S.","Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex","ACS Catalysis","2022","","","2729","2740","10.1021/acscatal.1c05509","","","0.71073","MoKα","","0.0234","0.0222","","","0.0567","0.0577","","","","","","1.031","","","","has coordinates,has disorder","273244","2022-03-03","20:21:38",""
"4519335","12.173","0.0011","20.1578","0.0016","33.802","0.003","106.291","0.004","97.137","0.003","92.346","0.003","7874.6","1.2","107","2","107","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H57.25 B2 F8 N2.5 Ni P2 -","- C32 H57.25 B2 F8 N2.5 Ni P2 -","- C256 H458 B16 F64 N20 Ni8 P16 -","8","4","","Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S.","Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex","ACS Catalysis","2022","","","2729","2740","10.1021/acscatal.1c05509","","","0.71073","MoKα","","0.1183","0.1166","","","0.2648","0.2654","","","","","","1.209","","","","has coordinates,has disorder","273245","2022-03-03","20:24:09",""
"4519336","18.7305","0.0007","14.4274","0.0007","17.8945","0.0007","90","","90","","90","","4835.7","0.4","150","0.1","150","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C25 H36 Fe N2 Si -","- C25 H36 Fe N2 Si -","- C200 H288 Fe8 N16 Si8 -","8","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0433","0.0419","","","0.1149","0.1161","","","","","","1.107","","","","has coordinates,has disorder","273246","2022-03-03","20:25:20",""
"4519337","19.2143","0.0004","20.1989","0.0004","9.3011","0.0002","90","","90","","90","","3609.83","0.13","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H57 B Fe N2 -","- C37 H57 B Fe N2 -","- C148 H228 B4 Fe4 N8 -","4","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0491","0.0425","","","0.1052","0.1091","","","","","","1.042","","","","has coordinates","273246","2022-03-03","20:25:21",""
"4519338","18.1664","0.0002","12.4604","0.0002","23.9387","0.0003","90","","94.823","0.001","90","","5399.59","0.13","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 B Fe N2 -","- C29 H41 B Fe N2 -","- C232 H328 B8 Fe8 N16 -","8","1","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0363","0.0329","","","0.0842","0.0865","","","","","","1.035","","","","has coordinates","273246","2022-03-03","20:25:21",""
"4519339","21.9805","0.0005","16.4818","0.0004","10.6196","0.0002","90","","90","","90","","3847.25","0.15","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H52 Fe2 N4 -","- C42 H52 Fe2 N4 -","- C168 H208 Fe8 N16 -","4","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0969","0.1002","","","","","","1.027","","","","has coordinates,has disorder","273246","2022-03-03","20:25:21",""
"4519340","10.9682","0.0001","17.6194","0.0002","18.8246","0.0002","90","","95.32","0.001","90","","3622.24","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Fe N4 -","- C42 H50 Fe N4 -","- C168 H200 Fe4 N16 -","4","1","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0383","0.0336","","","0.0834","0.0864","","","","","","1.025","","","","has coordinates","273247","2022-03-03","20:26:02",""
"4519341","7.6105","0.0006","8.0429","0.0007","15.2788","0.0013","90","","101.481","0.002","90","","916.51","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Fe N O6 -","- C21 H19 Fe N O6 -","- C42 H38 Fe2 N2 O12 -","2","1","","Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin","Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions","ACS Catalysis","2022","12","4","2706","2713","10.1021/acscatal.2c00001","","","0.71073","MoKα","","0.0445","0.0386","","","0.0887","0.0912","","","","","","1.059","","","","has coordinates","273248","2022-03-03","20:26:27",""
"4519342","11.5366","0.0015","9.0589","0.0008","30.02","0.003","90","","98.806","0.01","90","","3100.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C128 H136 N24 O24 -","8","2","","Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides","ACS Catalysis","2022","12","4","2426","2433","10.1021/acscatal.1c05738","","","0.71073","MoKα","","0.2512","0.1168","","","0.2691","0.3405","","","","","","0.956","","","","has coordinates","273249","2022-03-03","20:27:06",""
"4519343","10.276","0.002","26.264","0.005","17.399","0.004","90","","103.191","0.005","90","","4571.9","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 Br Co N2 P2 -","- C55 H52 Br Co N2 P2 -","- C220 H208 Br4 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko","Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex","ACS Catalysis","2022","12","4","2320","2329","10.1021/acscatal.1c04797","","","0.71075","MoKα","","0.1115","0.0725","","","0.2048","0.2226","","","","","","1.309","","","","has coordinates,has disorder","273250","2022-03-03","20:27:34",""
"4519375","7.688","","9.1076","","10.6827","","95.94","","109.12","","110.396","","642.108","","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C30 H34 N6 O2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rhodium(III)-Catalyzed Oxidative C–H Alkylation of Aniline Derivatives with Allylic Alcohols To Produce β-Aryl Ketones","ACS Catalysis","2022","","","4394","4401","10.1021/acscatal.2c00854","","","1.54187","CuKα","","0.0918","0.0841","","","0.2251","0.2565","","","","","","1.141","","","","has coordinates","274231","2022-04-03","19:17:19",""
"4519376","20.3","0.0019","10.543","0.003","15.816","0.002","90","","109.54","0.0012","90","","3190","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H36 F6 N3 P Pd S -","- C32 H36 F6 N3 P Pd S -","- C128 H144 F24 N12 P4 Pd4 S4 -","4","1","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0239","0.0238","","","0.0649","0.0649","","","","","","1.094","","","","has coordinates","274232","2022-04-03","19:18:04",""
"4519377","12.153","0.0018","28.037","0.0007","21.613","0.0007","90","","94.356","0.014","90","","7343","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H41 Cl F6 N3 P Pd S -","- C34.5 H41 Cl F6 N3 P Pd S -","- C276 H328 Cl8 F48 N24 P8 Pd8 S8 -","8","2","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0707","0.0668","","","0.2017","0.2058","","","","","","1.038","","","","has coordinates,has disorder","274233","2022-04-03","19:18:51",""
"4519378","12.9594","0.0006","9.2852","0.0005","14.7567","0.0009","90","","91.483","0.003","90","","1775.09","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Bi F3 N -","- C19 H21 Bi F3 N -","- C76 H84 Bi4 F12 N4 -","4","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0432","0.0291","","","0.0519","0.0554","","","","","","0.997","","","","has coordinates","274234","2022-04-03","19:19:17",""
"4519379","17.435","0.003","9.004","0.002","18.23","0.004","90","","90","","90","","2861.8","1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Bi F3 -","- C15 H14 Bi F3 -","- C120 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0353","0.0248","","","0.0568","0.0612","","","","","","1.051","","","","has coordinates","274235","2022-04-03","19:19:48",""
"4519380","9.7284","0.0004","9.7063","0.0004","30.3122","0.0014","90","","90","","90","","2862.3","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Bi F3 -","- C16 H14 Bi F3 -","- C128 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.038","0.0391","","","","","","1.151","","","","has coordinates","274236","2022-04-03","19:20:24",""
"4519381","6.1078","0.0007","23.368","0.003","12.0794","0.0013","90","","100.277","0.002","90","","1696.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71073","MoKα","","0.0668","0.0571","","","0.144","0.1485","","","","","","1.142","","","","has coordinates,has disorder","274237","2022-04-03","19:20:50",""
"4519382","10.2627","0.0002","13.449","0.0003","14.5521","0.0003","115.316","0.002","101.172","0.0017","101.362","0.0019","1690.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71075","MoKα","","0.048","0.0423","","","0.1499","0.1543","","","","","","1.267","","","","has coordinates","274238","2022-04-03","19:21:15",""
"4519383","16.5365","0.0009","15.9821","0.0006","12.9995","0.0006","90","","97.271","0.005","90","","3408","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N3 Ni O5 P -","- C33 H50 N3 Ni O5 P -","- C132 H200 N12 Ni4 O20 P4 -","4","1","","Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu","Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones","ACS Catalysis","2022","12","7","3776","3781","10.1021/acscatal.2c01053","","x-ray","1.54184","CuKα","","0.0849","0.0608","","","0.1585","0.1731","","","","","","1.075","","","","has coordinates","274239","2022-04-03","19:21:41",""
"4519384","8.7636","0.0007","13.6876","0.0012","28.412","0.002","86.489","0.003","89.678","0.003","77.831","0.003","3325.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H49 Au F6 P Sb -","- C31 H49 Au F6 P Sb -","- C124 H196 Au4 F24 P4 Sb4 -","4","2","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0832","0.0576","","","0.1175","0.1311","","","","","","1.095","","","","has coordinates","274240","2022-04-03","19:22:08",""
"4519385","15.519","0.0007","15.638","0.0008","17.4595","0.001","68.369","0.002","80.53","0.002","65.864","0.002","3594","0.3","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H81 Au F3 N2 O P Sb0.5 -","- C63 H81 Au F3 N2 O P Sb0.5 -","- C126 H162 Au2 F6 N4 O2 P2 Sb -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0824","0.0575","","","0.1475","0.168","","","","","","1.097","","","","has coordinates,has disorder","274241","2022-04-03","19:22:40",""
"4519386","12.6694","0.0002","18.1472","0.0004","18.894","0.0004","90","","90","","90","","4344","0.15","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Au Cl P -","- C46 H67 Au Cl P -","- C184 H268 Au4 Cl4 P4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0267","0.0217","","","0.0393","0.0404","","","","","","0.862","","","","has coordinates","274242","2022-04-03","19:23:06",""
"4519387","33.253","0.003","13.3849","0.0011","26.02","0.002","90","","93.079","0.003","90","","11564.5","1.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H82 Au Cl4 F6 P Sb -","- C53 H82 Au Cl4 F6 P Sb -","- C424 H656 Au8 Cl32 F48 P8 Sb8 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0686","0.0503","","","0.1252","0.1425","","","","","","1.026","","","","has coordinates,has disorder","274243","2022-04-03","19:23:40",""
"4519388","13.714","0.005","51.58","0.02","18.755","0.009","90","","99.2","0.018","90","","13096","9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H159 Au2 F12 P2 Sb2 -","- C126 H162 Au2 F12 P2 Sb2 -","- C504 H648 Au8 F48 P8 Sb8 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1146","0.0964","","","0.2154","0.2302","","","","","","1.007","","","","has coordinates,has disorder","274244","2022-04-03","19:24:23",""
"4519389","54.233","0.008","14.371","0.002","32.268","0.005","90","","102.216","0.009","90","","24580","6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H165 Au3 Cl3 P3 -","- C120 H165 Au3 Cl3 P3 -","- C960 H1320 Au24 Cl24 P24 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1113","0.0604","","","0.1473","0.179","","","","","","1.057","","","","has coordinates","274245","2022-04-03","19:25:09",""
"4519390","11.3949","0.0008","16.7262","0.0009","18.567","0.0012","90","","104.78","0.003","90","","3421.7","0.4","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Au F6 P Sb -","- C32 H39 Au F6 P Sb -","- C128 H156 Au4 F24 P4 Sb4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0662","0.0385","","","0.0782","0.0921","","","","","","1.032","","","","has coordinates","274246","2022-04-03","19:25:38",""
"4519391","15.3509","0.0009","15.473","0.0009","19.0096","0.001","95.2651","0.0017","103.141","0.0017","117.913","0.0018","3781","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 Au F6 N P Sb -","- C66 H90 Au F6 N P Sb -","- C132 H180 Au2 F12 N2 P2 Sb2 -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0574","0.0366","","","0.0815","0.0922","","","","","","1.04","","","","has coordinates,has disorder","274247","2022-04-03","19:26:06",""
"4519392","10.7552","0.0003","11.5789","0.0003","21.0514","0.0005","103.464","0.001","93.118","0.001","103.01","0.001","2468.27","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 Cl2 Co N4 O2 Zn -","- C53 H59 Cl2 Co N4 O2 Zn -","- C106 H118 Cl4 Co2 N8 O4 Zn2 -","2","1","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0404","0.0376","","","0.0964","0.0984","","","","","","1.038","","","","has coordinates","274248","2022-04-03","19:26:39",""
"4519393","9.1508","0.0003","10.8692","0.0004","14.2352","0.0005","80.73","0.001","73.248","0.001","67.252","0.001","1248.34","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","1","0.5","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0283","0.027","","","0.0672","0.0681","","","","","","1.043","","","","has coordinates,has disorder","274249","2022-04-03","19:26:59",""