# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-28T02:12:50+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS catalysis') AND volume = 9 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
"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",""
"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",""
"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",""
"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",""