# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-27T09:38:43+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS Catalysis') AND volume = 6 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
"4513735","8.6895","0.0004","9.8563","0.0006","30.266","0.002","90","","94.399","0.005","90","","2584.5","0.3","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 O2 -","- C29 H32 N2 O2 -","- C116 H128 N8 O8 -","4","1","","Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling","Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes","ACS Catalysis","2016","6","1","186","","10.1021/acscatal.5b01791","","","1.54184","CuKα","","0.0473","0.0383","","","0.0978","0.1038","","","","","","1.025","","","","has coordinates","175757","2020-10-21","18:00:00",""
"4513736","12.864","0.001","9.812","0.001","13.652","0.0009","90","","92.938","0.002","90","","1720.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0559","0.0514","","","0.1291","0.1359","","","","","","1.075","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513737","11.342","0.0014","6.528","0.0011","21.294","0.002","90","","95.503","0.002","90","","1569.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F5 N2 O2 -","- C18 H11 F5 N2 O2 -","- C72 H44 F20 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.71079","Synchrotron","","0.0494","0.0441","","","0.1116","0.1152","","","","","","1.059","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513738","7.784","0.005","10.507","0.003","11.117","0.003","106.154","0.005","96.466","0.008","97.82","0.02","854.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0558","0.0458","","","0.1127","0.118","","","","","","1.052","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513739","12.243","0.0011","7.246","0.0015","21.867","0.0019","90","","105.022","0.002","90","","1873.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C100 H76 F4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0795","0.0624","","","0.1529","0.165","","","","","","1.103","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513740","10.221","0.0009","6.258","0.001","24.249","0.002","90","","97.531","0.001","90","","1537.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C72 H60 Br4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0471","0.0437","","","0.1147","0.1172","","","","","","1.049","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513741","12.2626","0.0003","7.2788","0.0002","12.3394","0.0003","90","","104.51","0.002","90","","1066.25","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.57 H21.14 Cl1.13 N2 O2 -","- C25.568 H21.136 Cl1.136 N2 O2 -","- C51.136 H42.272 Cl2.272 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54184","CuKα","","0.0477","0.0383","","","0.0839","0.0882","","","","","","1.057","","","","has coordinates,has disorder","175758","2020-10-21","18:00:00",""
"4513742","5.238","0.002","12.589","0.002","11.597","0.003","90","","91.334","0.015","90","","764.5","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0378","0.0365","","","0.0982","0.1021","","","","","","1.061","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513743","8.6369","0.0003","26.751","0.0008","6.9978","0.0002","90","","106.79","0.001","90","","1547.89","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N3 -","- C18 H14 Br N3 -","- C72 H56 Br4 N12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54178","CuKα","","0.023","0.0223","","","0.0532","0.0536","","","","","","1.14","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513744","9.882","0.002","36.918","0.005","8.62","0.004","90","","99.99","0.011","90","","3097.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0744","0.0559","","","0.1358","0.1474","","","","","","1.057","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513745","12.352","0.0014","7.361","0.0017","22.122","0.001","90","","98.421","0.008","90","","1989.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0626","0.0518","","","0.1335","0.1414","","","","","","1.036","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513746","11.035","0.0008","6.9","0.0005","11.373","0.002","90","","115.012","0.004","90","","784.75","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","MoKα","","0.0905","0.0776","","","0.2197","0.2324","","","","","","1.07","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513747","7.91984","0.00013","7.77745","0.00013","16.8551","0.0003","90","","101.445","0.0017","90","","1017.57","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 F5 N4 O2 -","- C22 H13 F5 N4 O2 -","- C44 H26 F10 N8 O4 -","2","1","","Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex","ACS Catalysis","2016","6","2","589","","10.1021/acscatal.5b02178","","x-ray","1.54184","CuKα","","0.0555","0.0502","","","0.135","0.1418","","","","","","1.042","","","","has coordinates","177379","2020-10-21","18:00:00",""
"4513748","9.7227","0.0006","23.8357","0.0014","8.7364","0.0005","90","","90","","90","","2024.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23.73 H18.45 Cl0.7 N O3.12 S -","- C23.725 H18.45 Cl0.7 N O3.125 S -","- C94.9 H73.8 Cl2.8 N4 O12.5 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0546","0.0443","","","0.1036","0.1097","","","","","","1.049","","","","has coordinates,has disorder","175759","2020-10-21","18:00:00",""
"4513749","5.9234","0.0003","17.5385","0.0009","11.7578","0.0005","90","","95.5438","0.0011","90","","1215.78","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C60 H50 N2 O6 S2 -","2","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.034","0.0321","","","0.0872","0.0888","","","","","","1.056","","","","has coordinates","175759","2020-10-21","18:00:00",""
"4513750","9.8811","0.0005","10.2565","0.0005","15.4749","0.0007","90","","90","","90","","1568.31","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0424","0.0366","","","0.0844","0.0877","","","","","","1.02","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4513751","13.5231","0.0009","13.1489","0.0009","19.3467","0.0014","90","","90","","90","","3440.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ken4-153-9","toste82","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C176 H152 F8 N16 O8 -","8","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0371","0.0369","","","0.0946","0.0948","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513752","7.6084","0.0002","6.4312","0.0002","11.7689","0.0003","90","","103.627","0.001","90","","559.66","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","ken4-150-3","toste80","","- C12 H15 F N2 O -","- C12 H15 F N2 O -","- C24 H30 F2 N4 O2 -","2","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0258","0.0255","","","0.0685","0.0687","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513753","14.407","0.0011","7.3079","0.0005","11.1275","0.0009","90","","109.808","0.009","90","","1102.24","0.16","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F5 N S -","- C13 H4 F5 N S -","- C52 H16 F20 N4 S4 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0337","0.0299","","","0.0792","0.0814","","","","","","1.07","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513754","12.8062","0.0004","5.84755","0.00016","12.6869","0.0004","90","","105.223","0.003","90","","916.72","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F4 -","- C12 H6 F4 -","- C48 H24 F16 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0413","0.0352","","","0.0969","0.1039","","","","","","1.053","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513755","5.92801","0.00016","7.5738","0.0002","23.6364","0.0005","90","","90","","90","","1061.22","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 F7 -","- C13 H5 F7 -","- C52 H20 F28 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0275","0.0266","","","0.0713","0.0724","","","","","","1.044","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513756","5.80768","0.00018","20.9642","0.0005","7.68611","0.00019","90","","90","","90","","935.81","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H5 F5 -","- C12 H5 F5 -","- C48 H20 F20 -","4","0.5","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0235","0.0234","","","0.0676","0.0676","","","","","","1.116","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513757","10.038","0.002","15.921","0.003","20.131","0.004","90","","90","","90","","3217.2","1.1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Br N O3 -","- C37 H40 Br N O3 -","- C148 H160 Br4 N4 O12 -","4","1","","He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping","Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides","ACS Catalysis","2016","6","2","652","","10.1021/acscatal.5b02619","","","0.71073","MoKα","","0.0596","0.0415","","","0.089","0.0971","","","","","","1.004","","","","has coordinates","177386","2020-10-21","18:00:00",""
"4513758","19.0615","0.0017","9.325","0.0008","20.7194","0.0018","90","","90","","90","","3682.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 N O -","- C22 H20 F3 N O -","- C176 H160 F24 N8 O8 -","8","1","","Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min","Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives","ACS Catalysis","2016","6","2","526","","10.1021/acscatal.5b02400","","","0.71073","MoKα","","0.0611","0.0458","","","0.121","0.1314","","","","","","1.039","","","","has coordinates,has disorder","177388","2020-10-21","18:00:00",""
"4513759","16.5508","0.0009","9.9149","0.0005","20.9543","0.0011","90","","100.391","0.001","90","","3382.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Er N O Si2 -","- C36 H44 Er N O Si2 -","- C144 H176 Er4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0639","0.0354","","","0.0797","0.0929","","","","","","1.024","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513760","16.5847","0.0012","9.9933","0.0007","21.0068","0.0015","90","","100.271","0.001","90","","3425.8","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Gd N O Si2 -","- C36 H44 Gd N O Si2 -","- C144 H176 Gd4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.052","0.034","","","0.0775","0.0859","","","","","","1.019","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513761","16.5572","0.0009","10.0221","0.0005","21.0296","0.0011","90","","100.37","0.001","90","","3432.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N Nd O Si2 -","- C36 H44 N Nd O Si2 -","- C144 H176 N4 Nd4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0642","0.0376","","","0.0844","0.0967","","","","","","1.027","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513762","14.6913","0.0007","11.3369","0.0006","19.4321","0.001","90","","95.729","0.001","90","","3220.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N O Pr Si2 -","- C31 H44 N O Pr Si2 -","- C124 H176 N4 O4 Pr4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.1179","0.111","","","0.268","0.2836","","","","","","1.36","","","","has coordinates,has disorder","175762","2020-10-21","18:00:00",""
"4513779","17.067","0.004","10.4806","0.0018","18.8193","0.0014","90","","95.005","0.011","90","","3353.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N3 Ni -","- C18 H22 Cl N3 Ni -","- C144 H176 Cl8 N24 Ni8 -","8","2","","Perez Garcia, Pablo M.; Di Franco, Thomas; Epenoy, Alexandre; Scopelliti, Rosario; Hu, Xile","From Dimethylamine to Pyrrolidine: The Development of an Improved Nickel Pincer Complex for Cross-Coupling of Nonactivated Secondary Alkyl Halides","ACS Catalysis","2016","6","1","258","","10.1021/acscatal.5b02324","","","0.71073","MoKα","","0.0983","0.0815","","","0.167","0.174","","","","","","1.299","","","","has coordinates,has disorder","175763","2020-10-21","18:00:00",""
"4513780","8.9143","0.0005","10.0383","0.0006","10.4508","0.0006","106.994","0.003","96.214","0.003","108.761","0.003","825.44","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H13 Br N2 O3 S -","- C15 H12.5 Br N2 O3 S -","- C30 H25 Br2 N4 O6 S2 -","2","2","","Li, Yi; Yu, Yue-Na; Xu, Ming-Hua","Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives","ACS Catalysis","2016","6","2","661","","10.1021/acscatal.5b02403","","","0.71073","MoKα","","0.0413","0.0335","","","0.0873","0.0902","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513781","6.9469","0.001","15.845","0.002","20.914","0.003","90","","90","","90","","2302.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Zhou, Xukai; Yu, Songjie; Kong, Lingheng; Li, Xingwei","Rhodium(III)-Catalyzed Coupling of Arenes with Cyclopropanols via C‒H Activation and Ring Opening","ACS Catalysis","2016","6","2","647","","10.1021/acscatal.5b02414","","","0.71073","MoKα","","0.0811","0.0613","","","0.1448","0.1557","","","","","","1.091","","","","has coordinates","177390","2020-10-21","18:00:00",""
"4513782","18.2664","0.0012","21.4148","0.0014","10.4443","0.0007","90","","90","","90","","4085.5","0.5","147","2","147","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C46 H45 B Cl F4 Fe N2 O P2 -","- C46 H45 B Cl F4 Fe N2 O P2 -","- C184 H180 B4 Cl4 F16 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.0571","0.0386","","","0.0732","0.0796","","","","","","1.005","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513783","11.0847","0.0008","13.0101","0.0009","27.0865","0.0018","90","","90","","90","","3906.2","0.5","147","2","147","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl Fe N2 O P2 -","- C45 H43 Cl Fe N2 O P2 -","- C180 H172 Cl4 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.1147","0.0581","","","0.0816","0.0967","","","","","","0.976","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513784","13.3911","0.0003","13.3911","0.0003","26.1903","0.0007","90","","90","","120","","4067.28","0.17","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","CJ802","","","- C27 H38 B Br O3 -","- C27 H38 B Br O3 -","- C162 H228 B6 Br6 O18 -","6","1","","Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola","Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates.","ACS catalysis","2016","6","1","442","446","10.1021/acscatal.5b02742","","","0.71073","","","0.0713","0.0388","","","0.0943","0.1257","","","","","","1.093","","","","has coordinates","182489","2020-10-21","18:00:00",""
"4513793","15.3957","0.0013","31.578","0.003","17.2918","0.0015","90","","111.265","0.001","90","","7834.3","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H44 O5.5 P -","- C43 H44 O5.5 P -","- C344 H352 O44 P8 -","8","4","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0675","0.0503","","","0.1259","0.1336","","","","","","1.046","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513794","24.1287","0.0008","24.1287","0.0008","33.801","0.002","90","","90","","120","","17042.3","1.3","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C112 H91 F12 N O16 P4 -","- C112 H91 F12 N O16 P4 -","- C672 H546 F72 N6 O96 P24 -","6","1","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0522","0.046","","","0.127","0.1322","","","","","","1.043","","","","has coordinates,has disorder","177380","2020-10-21","18:00:00",""
"4513795","10.383","0.003","10.981","0.003","14.706","0.005","90","","106.941","0.005","90","","1604","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0535","0.0403","","","0.0973","0.1046","","","","","","0.963","","","","has coordinates","187876","2020-10-21","18:00:00",""
"4513796","13.206","0.005","7.219","0.002","17.366","0.006","90","","102.062","0.004","90","","1619","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N3 O -","- C20 H16 F N3 O -","- C80 H64 F4 N12 O4 -","4","1","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0481","0.0472","","","0.1264","0.1274","","","","","","1.056","","","","has coordinates","187876","2020-10-21","18:00:00",""
"4513797","18.0992","0.0004","9.65395","0.00015","19.7948","0.0004","90","","110.024","0.002","90","","3249.64","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N1,N2-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine manganese(II) bis(trifluoromethanesulfonate)","","- C24 H34 F6 Mn N4 O8 S2 -","- C24 H34 F6 Mn N4 O8 S2 -","- C96 H136 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification","ACS Catalysis","2016","6","2","979","","10.1021/acscatal.5b02299","","x-ray","0.71073","MoKα","","0.0778","0.0647","","","0.1828","0.1949","","","","","","1.057","","","","has coordinates,has disorder","177384","2020-10-21","18:00:00",""
"4513798","7.3858","0.0004","11.7473","0.0006","16.1486","0.0008","90","","97.962","0.001","90","","1387.6","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F3 N O2 -","- C18 H10 F3 N O2 -","- C72 H40 F12 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.0397","0.0379","","","0.1025","0.1039","","","","","","1.031","","","","has coordinates","177391","2020-10-21","18:00:00",""
"4513799","6.1061","0.0005","22.232","0.002","11.7017","0.0012","90","","95.582","0.008","90","","1581","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.129","0.0539","","","0.0722","0.0888","","","","","","1.001","","","","has coordinates","177391","2020-10-21","18:00:00",""
"4513801","11.6562","0.0003","21.5144","0.0004","16.1302","0.0003","90","","102.368","0.0007","90","","3951.19","0.15","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O -","- C23 H21 F2 N O -","- C184 H168 F16 N8 O8 -","8","4","","Momiyama, Norie; Okamoto, Hiroshi; Kikuchi, Jun; Korenaga, Toshinobu; Terada, Masahiro","Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls","ACS Catalysis","2016","6","2","1198","","10.1021/acscatal.5b02136","","","0.71075","MoKα","","0.0739","0.038","","","0.0823","0.1048","","","","","","1.097","","","","has coordinates","177382","2020-10-21","18:00:00",""
"4513802","11.4113","0.0006","21.0276","0.0011","12.5491","0.0006","90","","93.583","0.001","90","","3005.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Al-Salen","","","- C30 H41 Al Br2 N2 O3 -","- C30 H41 Al Br2 N2 O3 -","- C120 H164 Al4 Br8 N8 O12 -","4","1","","Marlier, Elodie E.; Macaranas, Joahanna A.; Marell, Daniel J.; Dunbar, Christine R.; Johnson, Michelle A.; DePorre, Yvonne; Miranda, Maria O.; Neisen, Benjamin D.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.","Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations.","ACS catalysis","2016","6","2","1215","1224","10.1021/acscatal.5b02607","","","1.54178","CuKα","","0.0369","0.0343","","","0.0872","0.0889","","","","","","1.104","","","","has coordinates","177378","2020-10-21","18:00:00",""
"4513803","9.894","0.002","19.922","0.004","22.901","0.006","90","","103.78","0.03","90","","4384.1","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 N2 O P2 Ru -","- C42 H40 N2 O P2 Ru -","- C168 H160 N8 O4 P8 Ru4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","","0.0788","","","0.2009","0.2128","","","","","","1.101","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513804","6.8744","0.0014","8.6699","0.0017","15.729","0.003","90","","90","","90","","937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","0.0424","0.0411","","","0.0982","0.0991","","","","","","1.056","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513806","8.6051","0.0005","8.456","0.0004","18.6229","0.001","90","","96.947","0.002","90","","1345.14","0.12","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Fe P S -","- C31 H33 Fe P S -","- C62 H66 Fe2 P2 S2 -","2","1","","Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenylphosphine Derivatives by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis and Their Application in Asymmetric Catalysis","ACS Catalysis","2016","6","2","1308","","10.1021/acscatal.5b02692","","","0.71075","MoKα","","0.1841","0.097","","","0.1566","0.1916","","","","","","1.082","","","","has coordinates","177381","2020-10-21","18:00:00",""
"4513807","8.219","0.0004","10.1031","0.0006","12.1768","0.0006","86.213","0.004","78.34","0.004","86.602","0.004","987.01","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek","Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality","ACS Catalysis","2016","6","3","1559","","10.1021/acscatal.5b02867","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1028","0.1098","","","","","","1.033","","","","has coordinates","181420","2020-10-21","18:00:00",""
"4513808","6.1084","0.0005","14.9045","0.0014","15.5068","0.0014","85.229","0.004","81.551","0.003","83.644","0.004","1384.7","0.2","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0538","0.0438","","","0.125","0.135","","","","","","1.093","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513809","9.51","0.0005","13.531","0.0007","15.5036","0.0009","90","","101.853","0.002","90","","1952.46","0.18","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0517","0.0404","","","0.1076","0.119","","","","","","1.047","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513810","7.4674","0.0004","8.2917","0.0004","10.159","0.0005","84.506","0.002","89.933","0.002","69.136","0.001","584.71","0.05","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0358","0.0327","","","0.0933","0.0968","","","","","","1.088","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513811","10.3225","0.0007","20.9863","0.0017","16.6431","0.0014","90","","95.815","0.004","90","","3586.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C176 H136 N8 O24 S8 -","8","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.1286","0.0529","","","0.094","0.1179","","","","","","1.006","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513812","8.5582","0.0003","10.1474","0.0004","11.3665","0.0004","114.204","0.0011","92.3803","0.0013","95.0132","0.0012","893.63","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C44 H34 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.0407","0.0346","","","0.0968","0.101","","","","","","1.049","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513813","15.7908","0.0006","6.1888","0.0002","13.6788","0.0005","90","","106.523","0.001","90","","1281.57","0.08","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0515","0.0447","","","0.123","0.1299","","","","","","1.049","","","","has coordinates,has disorder","181421","2020-10-21","18:00:00",""
"4513814","6.4715","0.0003","12.2935","0.0005","16.0625","0.0007","90","","90","","90","","1277.89","0.1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0331","0.0316","","","0.0959","0.0972","","","","","","1.182","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513815","8.6937","0.0001","8.2505","0.0001","9.8923","0.0002","90","","96.8229","0.0007","90","","704.524","0.019","","","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C34 H34 N6 O2 -","2","1","","Singh, Manish K.; Akula, Hari K.; Satishkumar, Sakilam; Stahl, Lothar; Lakshman, Mahesh K.","Ruthenium-Catalyzed C-H Bond Activation Approach to Azolyl Aminals and Hemiaminal Ethers, Mechanistic Evaluations, and Isomer Interconversion.","ACS catalysis","2016","6","3","1921","1928","10.1021/acscatal.5b02603","","","0.71073","MoKα","","0.0346","0.0324","","","0.0887","0.0913","","","","","","1.0952","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513816","7.9794","0.0013","12.355","0.002","27.87","0.004","83.268","0.003","84.119","0.003","89.549","0.003","2714.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 F2 N O4 -","- C33 H27 F2 N O4 -","- C132 H108 F8 N4 O16 -","4","2","","Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei","Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond","ACS Catalysis","2016","6","3","1971","","10.1021/acscatal.5b02297","","","0.71073","MoKα","","0.1885","0.0839","","","0.2214","0.2889","","","","","","1.011","","","","has coordinates,has disorder","181424","2020-10-21","18:00:00",""
"4513817","10.0715","0.0002","28.3272","0.0005","21.8875","0.0015","90","","92.226","0.007","90","","6239.7","0.5","85","","85","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H53 B Cl N4 O3 P Ru -","- C63 H53 B Cl N4 O3 P Ru -","- C252 H212 B4 Cl4 N16 O12 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0696","0.0667","","","0.1778","0.1797","","","","","","1.038","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513818","14.0112","0.0003","9.7442","0.0002","27.2179","0.0019","90","","94.215","0.007","90","","3706","0.3","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C152 H144 Cl4 F24 N12 O16 P8 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0255","0.025","","","0.0608","0.0611","","","","","","1.048","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513819","12.1467","0.0002","17.3624","0.0004","12.8848","0.0009","90","","90.182","0.006","90","","2717.3","0.2","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C84 H116 Cl4 F24 N12 O8 P12 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0724","0.0623","","","0.1722","0.1817","","","","","","1.134","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513820","11.6136","0.0002","17.269","0.0003","14.4146","0.001","90","","90.128","0.006","90","","2890.9","0.2","85","","85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl2 N3 O2 P Ru -","- C33 H26 Cl2 N3 O2 P Ru -","- C132 H104 Cl8 N12 O8 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0391","0.0376","","","0.1012","0.1024","","","","","","1.093","","","","has coordinates","181422","2020-10-21","18:00:00",""
"4513821","38.209","0.002","13.4891","0.0003","24.3071","0.0004","90","","118.199","0.007","90","","11041.1","1","85","","85","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H53 N6 O5 P2 Ru2 -","- C69 H53 N6 O5 P2 Ru2 -","- C552 H424 N48 O40 P16 Ru16 -","8","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0453","0.0433","","","0.1351","0.1369","","","","","","1.162","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513822","14.9292","0.0012","12.2212","0.001","12.2965","0.001","90","","109.506","0.001","90","","2114.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F3 Ir N3 O3 S -","- C19 H23 F3 Ir N3 O3 S -","- C76 H92 F12 Ir4 N12 O12 S4 -","4","1","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0359","0.0241","","","0.0492","0.0527","","","","","","1.014","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513823","11.0313","0.0004","26.4631","0.0009","19.9865","0.0007","90","","98.415","0.001","90","","5771.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F3 Ir N3 O3 S -","- C27 H31 F3 Ir N3 O3 S -","- C216 H248 F24 Ir8 N24 O24 S8 -","8","2","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0591","0.047","","","0.1179","0.1243","","","","","","1.028","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513824","20.3758","0.0009","3.4577","0.0002","10.3049","0.0004","90","","106.491","0.004","90","","696.15","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H5 Na3 O8 -","- C2 H5 Na3 O8 -","- C8 H20 Na12 O32 -","4","0.5","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","1.54178","CuKα","","0.0292","0.0272","","","0.0801","0.0817","","","","","","1.168","","","","has coordinates","181425","2020-10-21","18:00:00",""
"4513825","9.8337","0.001","11.7927","0.001","12.4336","0.0011","112.475","0.008","96.966","0.008","104.18","0.008","1254","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","0.71073","MoKα","","0.0674","0.0463","","","0.0921","0.1037","","","","","","1.023","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513826","11.8802","0.0006","12.1897","0.0005","13.9679","0.0005","86.341","0.003","73.708","0.004","63.295","0.005","1729.87","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","cis-(ITMe)2Pd(SiMe2Ph)2","","- C33 H49 N4 Pd Si2 -","- C33 H49 N4 Pd Si2 -","- C66 H98 N8 Pd2 Si4 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.044","0.0396","","","0.1101","0.1171","","","","","","0.9017","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513827","12.9381","0.0003","17.8318","0.0003","14.8311","0.0004","90","","113.454","0.003","90","","3138.98","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 B N4 O2 Pd Si -","- C28 H47 B N4 O2 Pd Si -","- C112 H188 B4 N16 O8 Pd4 Si4 -","4","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.0404","0.035","","","0.084","0.088","","","","","","1.044","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513837","17.0173","0.0003","7.793","0.0001","19.3018","0.0003","90","","103.52","0.001","90","","2488.79","0.07","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 I2 Ir N3 -","- C23 H26 I2 Ir N3 -","- C92 H104 I8 Ir4 N12 -","4","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0665","0.0529","","","0.1439","0.1555","","","","","","1.066","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513838","9.2675","0.0002","10.21","0.0002","12.0027","0.0003","79.971","0.001","78.553","0.001","83.299","0.001","1092.13","0.04","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 I Ir N3 -","- C23 H25 I Ir N3 -","- C46 H50 I2 Ir2 N6 -","2","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0234","0.0212","","","0.0501","0.0512","","","","","","1.077","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513839","7.32516","0.00019","13.4286","0.0003","19.6168","0.0006","90","","90","","90","","1929.64","0.09","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Wang, Gang; Liu, Xiaohua; Chen, Yushuang; Yang, Jian; Li, Jun; Lin, Lili; Feng, Xiaoming","Diastereoselective and Enantioselective Alleno-aldol Reaction of Allenoates with Isatins to Synthesis of Carbinol Allenoates Catalyzed by Gold","ACS Catalysis","2016","6","4","2482","","10.1021/acscatal.6b00294","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1193","0.1215","","","","","","1.046","","","","has coordinates","181409","2020-10-21","18:00:00",""
"4513840","5.622","0.005","15.483","0.005","18.549","0.005","90","0.005","94.841","0.005","90","0.005","1608.8","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F6 O2 -","- C17 H10 F6 O2 -","- C68 H40 F24 O8 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0903","0.0714","","","0.1862","0.2059","","","","","","1.036","","","","has coordinates,has disorder","181414","2020-10-21","18:00:00",""
"4513841","4.5824","0.0002","19.9078","0.0008","12.0067","0.0004","90","","94.374","0.003","90","","1092.13","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0473","0.0443","","","0.1216","0.1255","","","","","","1.045","","","","has coordinates","181414","2020-10-21","18:00:00",""
"4513842","17.7344","0.0005","14.2966","0.0004","30.6824","0.0009","90","","90","","90","","7779.3","0.4","200","2","200","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C268 H64 B8 Cl8 F160 Fe16 O48 S16 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.078","0.0537","","","0.1038","0.1147","","","","","","1.036","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513843","16.0418","0.0006","20.9445","0.0008","23.0959","0.001","90","","90","","90","","7759.9","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H5 B F20 Fe2 O6 S2 -","- C36 H5 B F20 Fe2 O6 S2 -","- C288 H40 B8 F160 Fe16 O48 S16 -","8","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0902","0.0644","","","0.1245","0.1346","","","","","","1.148","","","","has coordinates","181413","2020-10-21","18:00:00",""
"4513844","22.9134","0.0012","12.3868","0.0007","17.2161","0.0009","90","","124.699","0.001","90","","4017.3","0.4","200","2","200","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C132 H28 B4 Cl8 F80 Fe8 O24 S8 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0473","0.0427","","","0.1034","0.1063","","","","","","1.042","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513845","6.4147","0.0004","18.5996","0.0011","11.5206","0.0006","90","","104.145","0.0013","90","","1332.85","0.13","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H7 F9 Fe2 O15 S5 -","- C11 H7 F9 Fe2 O15 S5 -","- C22 H14 F18 Fe4 O30 S10 -","2","0.5","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0673","0.0577","","","0.1301","0.136","","","","","","1.106","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513846","10.5879","0.0002","4.8182","0.0001","13.6534","0.0002","90","","96.876","0.002","90","","691.51","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O -","- C18 H16 O -","- C36 H32 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0464","0.0444","","","0.1219","0.125","","","","","","1.061","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513847","10.5044","0.0002","4.7708","0.0001","13.7318","0.0003","90","","97.605","0.002","90","","682.11","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H14 O -","- C18 H14 O -","- C36 H28 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0796","0.0807","","","","","","1.068","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513848","8.9984","0.0004","21.6663","0.0011","12.2395","0.0005","90","","90.0826","0.0017","90","","2386.24","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Co N3 O4 -","- C23 H33 Co N3 O4 -","- C92 H132 Co4 N12 O16 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0673","0.0629","","","0.1927","0.1987","","","","","","1.066","","","","has coordinates","181416","2020-10-21","18:00:00",""
"4513849","8.9806","0.0004","29.3177","0.0012","8.8612","0.0004","90","","97.9533","0.0014","90","","2310.63","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Co N3 O5 -","- C21 H35 Co N3 O5 -","- C84 H140 Co4 N12 O20 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0304","0.0281","","","0.0772","0.0785","","","","","","1.134","","","","has coordinates","181416","2020-10-21","18:00:00",""
"4513850","15.229","0.004","8.446","0.002","17.388","0.005","90","","108.03","0.003","90","","2126.7","1","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl Ir N3 O3 -","- C22 H23 Cl Ir N3 O3 -","- C88 H92 Cl4 Ir4 N12 O12 -","4","1","","Ngo, Anh H.; Ibañez, Miguel; Do, Loi H.","Catalytic Hydrogenation of Cytotoxic Aldehydes Using Nicotinamide Adenine Dinucleotide (NADH) in Cell Growth Media","ACS Catalysis","2016","6","4","2637","","10.1021/acscatal.6b00395","","","0.71073","MoKα","","0.0178","0.0165","","","0.0445","0.056","","","","","","1.164","","","","has coordinates","181410","2020-10-21","18:00:00",""
"4513853","11.7189","0.001","12.5863","0.0011","16.7721","0.0014","90","","99.602","0.002","90","","2439.2","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H38 Br Fe N3 O P2 -","- C20 H38 Br Fe N3 O P2 -","- C80 H152 Br4 Fe4 N12 O4 P8 -","4","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0393","0.029","","","0.0324","0.0334","","","","1.23","1.23","1.17","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513854","13.7848","0.0007","11.7982","0.0005","15.4447","0.0008","90","","113.332","0.0014","90","","2306.5","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Fe N3 O P2 -","- C20 H39 Fe N3 O P2 -","- C80 H156 Fe4 N12 O4 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0601","0.0351","","","0.039","0.0406","","","","1.9","1.9","1.68","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513855","8.33","0.0001","21.758","0.0003","15.532","0.0002","90","","90","","90","","2815.08","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C116 H104 F12 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.0849","0.0466","","","0.1174","0.1374","","","","","","0.841","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513856","8.592","0.0002","11.328","0.0003","27.778","0.0005","90","","90","","90","","2703.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.1071","0.044","","","0.1128","0.1539","","","","","","0.744","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513857","10.512","0.005","10.602","0.005","13.589","0.005","104.085","0.005","99.52","0.005","91.757","0.005","1444.7","1.1","250","1","250","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C58 H52 F6 N6 O12 S2 -","2","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71069","MoKα","","0.0743","0.0492","","","0.1247","0.1456","","","","","","0.98","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513858","7.23695","0.0001","9.22435","0.00011","23.1301","0.0003","90","","90","","90","","1544.08","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M.","Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters","ACS Catalysis","2016","6","4","2673","","10.1021/acscatal.6b00365","","x-ray","1.54184","CuKα","","0.0319","0.0295","","","0.0728","0.0751","","","","","","1.04","","","","has coordinates","181419","2020-10-21","18:00:00",""
"4513863","9.0615","0.0004","10.7999","0.0005","17.4441","0.0009","88.376","0.003","79.606","0.002","82.091","0.003","1663.14","0.14","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H38 B Li O2 P2 S2 -","- C33 H38 B Li O2 P2 S2 -","- C66 H76 B2 Li2 O4 P4 S4 -","2","1","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0705","0.0497","","","0.1255","0.1399","","","","","","1.022","","","","has coordinates,has disorder","183562","2020-10-21","18:00:00",""
"4513864","15.4208","0.0004","14.8446","0.0004","13.1339","0.0004","90","","92.9702","0.0015","90","","3002.52","0.14","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 B2 Li O P2 S2 -","- C29 H35 B2 Li O P2 S2 -","- C116 H140 B8 Li4 O4 P8 S8 -","4","0.5","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0447","0.0344","","","0.0855","0.0925","","","","","","1.024","","","","has coordinates","183562","2020-10-21","18:00:00",""
"4513865","8.4103","0.0003","8.8487","0.0003","20.8277","0.0008","90","","90","","90","","1550","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","LM1NC377","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","x-ray","0.71073","MoKα","","0.0558","0.0417","","","0.0878","0.0943","","","","","","1.034","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513866","9.4194","0.0013","7.0858","0.0009","19.435","0.003","90","","95.373","0.007","90","","1291.5","0.3","","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C72 H64 O4 -","2","0.5","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0637","0.0394","","","0.0877","0.101","","","","","","1.0091","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513867","6.489","0.0012","7.157","0.0013","32.722","0.005","90","","90","","90","","1519.7","0.5","","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F O -","- C20 H19 F O -","- C80 H76 F4 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0654","0.0516","","","0.1214","0.1304","","","","","","1.0323","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513868","14.136","0.004","9.529","0.003","25.085","0.008","90","","94.09","0.017","90","","3370.4","1.8","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19.16 N2 O4.58 Pd -","- C16 H19 N2 O4.5793 Pd -","- C128 H152 N16 O36.6344 Pd8 -","8","2","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","1.54178","CuKα","","0.0226","0.0202","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513869","11.06","0.003","10.703","0.004","15.879","0.005","90","","102.713","0.011","90","","1833.6","1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O5 Pd -","- C20 H17 N3 O5 Pd -","- C80 H68 N12 O20 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","","0.0237","0.0219","","","0.0544","0.0554","","","","","","1.125","","","","has coordinates,has disorder","183559","2020-10-21","18:00:00",""
"4513870","12.472","0.006","8.829","0.005","19.26","0.008","90","","90.22","0.03","90","","2120.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O4 Pd -","- C22 H23 N3 O4 Pd -","- C88 H92 N12 O16 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","K-L~3~","0.041","0.0301","","","0.0681","0.0722","","","","","","1.063","","","","has coordinates","183559","2020-10-21","18:00:00",""
"4513871","9.8601","0.00019","17.3729","0.0003","10.9482","0.0003","90","","111.164","0.002","90","","1748.92","0.07","290.85","0.1","290.85","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 B N O2 -","- C19 H26 B N O2 -","- C76 H104 B4 N4 O8 -","4","2","","Zhan, Miao; Li, Ren-Zhe; Mou, Ze-Dong; Cao, Chao-Guo; Liu, Jie; Chen, Yuan-Wei; Niu, Dawen","Silver-Assisted, Iridium-Catalyzed Allylation of Bis[(pinacolato)boryl]methane Allows the Synthesis of Enantioenriched Homoallylic Organoboronic Esters","ACS Catalysis","2016","6","5","3381","","10.1021/acscatal.6b00719","","x-ray","1.54184","CuKα","","0.0486","0.0477","","","0.127","0.1284","","","","","","1.03","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513872","36.0683","0.0019","36.0683","0.0019","27.0566","0.0012","90","","90","","90","","35199","3","99.99","","99.99","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C51 H32 N4 O9 Zn2 -","- C51 H32 N4 O9 Zn2 -","- C408 H256 N32 O72 Zn16 -","8","0.5","","Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A.","Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis","ACS Catalysis","2016","6","5","3248","","10.1021/acscatal.6b00424","","x-ray","1.54178","CuKα","","0.2038","0.1212","","","0.3688","0.4101","","","","","","0.968","","","","has coordinates","183561","2020-10-21","18:00:00",""
"4513873","8.7413","0.0003","14.2966","0.0006","15.2329","0.0006","90","","98.084","0.002","90","","1884.75","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Ir N2 O6 S -","- C15 H19 Ir N2 O6 S -","- C60 H76 Ir4 N8 O24 S4 -","4","1","","Koelewijn, Jacobus M.; Lutz, Martin; Dzik, Wojciech I.; Detz, Remko J.; Reek, Joost N. H.","Reaction Progress Kinetic Analysis as a Tool To Reveal Ligand Effects in Ce(IV)-Driven IrCp*-Catalyzed Water Oxidation","ACS Catalysis","2016","6","6","3418","","10.1021/acscatal.6b00297","","","0.71073","MoKα","","0.0277","0.0213","","","0.0447","0.0472","","","","","","1.033","","","","has coordinates","183554","2020-10-21","18:00:00",""
"4513878","9.0933","0.0002","20.0387","0.0004","23.2417","0.0005","90","","90","","90","","4235.05","0.16","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C240 H160 N16 O8 -","8","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0427","0.035","","","0.0781","0.0832","","","","","","1.041","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513879","21.6794","0.0008","5.8892","0.0002","20.8559","0.0007","90","","98.889","0.002","90","","2630.78","0.16","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 F3 N2 O4 -","- C33 H23 F3 N2 O4 -","- C132 H92 F12 N8 O16 -","4","1","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0646","0.0435","","","0.0974","0.1068","","","","","","1.058","","","","has coordinates","183557","2020-10-21","18:00:00",""
"4513880","12.5358","0.0005","12.9306","0.0005","14.235","0.0006","66.91","0.002","68.341","0.003","69.341","0.002","1913.41","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0937","0.0675","","","0.1885","0.2035","","","","","","1.056","","","","has coordinates","183557","2020-10-21","18:00:00",""
"4513881","12.857","","15.123","","12.073","","90","","102.04","","90","","2295.79","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Br N O3 S -","- C27 H20 Br N O3 S -","- C108 H80 Br4 N4 O12 S4 -","4","1","","Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian","Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes","ACS Catalysis","2016","6","6","3674","","10.1021/acscatal.6b00759","","","0.71073","MoKα","","0.0805","0.049","","","0.1117","0.1268","","","","","","1.007","","","","has coordinates","183555","2020-10-21","18:00:00",""
"4513882","10.6203","0.0004","11.0296","0.0004","13.8669","0.0005","102.003","0.003","107.216","0.003","99.873","0.003","1469.68","0.1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 Br N3 O2 -","- C35 H30 Br N3 O2 -","- C70 H60 Br2 N6 O4 -","2","1","","Wei, Guo; Zhang, Chenhao; Bureš, Filip; Ye, Xinyi; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Aerobic Oxidative C(sp3)‒H Olefination of Amines via Cooperative Photoredox and Asymmetric Catalysis","ACS Catalysis","2016","6","6","3708","","10.1021/acscatal.6b00846","","","1.54184","CuKα","","0.0675","0.0593","","","0.1714","0.1817","","","","","","1.057","","","","has coordinates","183556","2020-10-21","18:00:00",""
"4513883","14.1082","0.0016","18.267","0.002","8.1718","0.0009","90","","96.84","0.004","90","","2091","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Yan, Jianming; Yoshikai, Naohiko","Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration","ACS Catalysis","2016","6","6","3738","","10.1021/acscatal.6b01039","","","0.71073","MoKα","","0.0853","0.0538","","","0.1366","0.1666","","","","","","1.043","","","","has coordinates","183553","2020-10-21","18:00:00",""
"4513884","12.787","0.002","12.7131","0.0018","12.427","0.002","90","","114.445","0.003","90","","1839.1","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0399","0.0365","","","0.1046","0.1068","","","","","","1.074","","","","has coordinates","183552","2020-10-21","18:00:00",""
"4513885","9.67","0.0018","19.62","0.003","9.9545","0.0018","90","","112.567","0.003","90","","1744","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N -","- C22 H18 Br N -","- C88 H72 Br4 N4 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0251","0.0213","","","0.0558","0.0568","","","","","","1.071","","","","has coordinates","183552","2020-10-21","18:00:00",""
"4513886","4.8832","0.0003","15.6825","0.0011","19.696","0.0013","90","","90","","90","","1508.34","0.17","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 F3 N3 O3 -","- C14 H16 F3 N3 O3 -","- C56 H64 F12 N12 O12 -","4","1","","Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok","“Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis","ACS Catalysis","2016","6","7","4189","","10.1021/acscatal.6b00800","","x-ray","1.54178","CuKα","","0.043","0.0423","","","0.108","0.1087","","","","","","1.101","","","","has coordinates","184922","2020-10-21","18:00:00",""
"4513887","11.5615","0.0019","11.966","0.003","21.75","0.005","90","","90","","90","","3009","1.1","294","2","294","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C160 H104 N8 O16 -","8","1","","Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Palladium-Catalyzed Regioselective C‒H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position","ACS Catalysis","2016","6","7","4248","","10.1021/acscatal.6b00678","","x-ray","0.71073","MoKα","","0.073","0.0406","","","0.0956","0.1134","","","","","","1.012","","","","has coordinates","184923","2020-10-21","18:00:00",""
"4513895","9.263","0.004","13.429","0.005","17.935","0.007","90","0","90","0","90","0","2231","1.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 Ir N3 -","- C20 H24 Cl2 Ir N3 -","- C80 H96 Cl8 Ir4 N12 -","4","1","","Bucci, Alberto; Menendez Rodriguez, Gabriel; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Poater, Albert; Cavallo, Luigi; Macchioni, Alceo","An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN)","ACS Catalysis","2016","6","7","4559","","10.1021/acscatal.6b01325","","","0.71069","MoKα","","0.0879","0.0581","","","0.1644","0.1707","","","","","","1.045","","","","has coordinates,has disorder","184924","2020-10-21","18:00:00",""
"4513899","24.5991","0.0011","14.5605","0.0006","25.6393","0.0011","90","","106.121","0.001","90","","8822.2","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H64 Cl2 Co F51 N7 O5 -","- C69 H60 Cl2 Co F51 N7 O5 -","- C276 H240 Cl8 Co4 F204 N28 O20 -","4","1","","Chen, Ba-Tian; Morlanés, Natalia; Adogla, Enoch; Takanabe, Kazuhiro; Rodionov, Valentin O.","An Efficient and Stable Hydrophobic Molecular Cobalt Catalyst for Water Electro-oxidation at Neutral pH","ACS Catalysis","2016","6","7","4647","","10.1021/acscatal.6b01237","","x-ray","0.71073","MoKα","","0.1033","0.0871","","","0.2466","0.2662","","","","","","1.057","","","","has coordinates,has disorder","184925","2020-10-21","18:00:00",""
"4513900","9.8908","0.0002","10.8195","0.0003","12.6228","0.0003","82.7016","0.0013","87.4478","0.0012","81.7877","0.0013","1325.65","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","SKL-20150804","","","- C29 H20 N O3 S -","- C29 H20 N O3 S -","- C58 H40 N2 O6 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.1182","0.097","","","0.2758","0.3058","","","","","","0.968","","","","has coordinates","186239","2020-10-21","18:00:00",""
"4513901","6.3051","0.0004","8.242","0.0005","21.9792","0.0014","90.797","0.004","96.108","0.003","96.816","0.003","1127.27","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","SKL-20150330","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C50 H44 N4 O12 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.115","0.0923","","","0.1901","0.1984","","","","","","1.122","","","","has coordinates","186239","2020-10-21","18:00:00",""
"4513903","13.4223","0.0003","15.5169","0.0003","23.9951","0.0007","90","","104.683","0.001","90","","4834.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 Cl2 N2 O2 Ti -","- C51 H66 Cl2 N2 O2 Ti -","- C204 H264 Cl8 N8 O8 Ti4 -","4","1","","Pletcher, Paul D.; Switzer, Jeffrey M.; Steelman, D. Keith; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M.","Quantitative Comparative Kinetics of 1-Hexene Polymerization across Group IV Bis-Phenolate Catalysts","ACS Catalysis","2016","6","8","5138","","10.1021/acscatal.6b00974","","","0.71073","MoKα","","0.1284","0.0927","","","0.1945","0.2098","","","","","","1.054","","","","has coordinates","186240","2020-10-21","18:00:00",""
"4513904","13.683","0.0013","8.7527","0.0008","16.3494","0.0014","90","","102.176","0.003","90","","1914","0.3","109","2","109","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I Ir N2 -","- C20 H24 I Ir N2 -","- C80 H96 I4 Ir4 N8 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.019","0.0187","","","0.0471","0.0473","","","","","","1.137","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513905","10.646","0.003","17.272","0.005","14.564","0.005","90","","101.437","0.01","90","","2624.8","1.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I Ir N2 O4 -","- C26 H30 I Ir N2 O4 -","- C104 H120 I4 Ir4 N8 O16 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.0687","0.052","","","0.1402","0.1548","","","","","","1.25","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513906","10.6334","0.0006","17.2916","0.001","14.4816","0.0008","90","","101.307","0.004","90","","2611","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I N2 O4 Rh -","- C26 H30 I N2 O4 Rh -","- C104 H120 I4 N8 O16 Rh4 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.1113","0.0487","","","0.0773","0.0937","","","","","","1.026","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513907","19.697","0.003","5.855","0.002","9.532","0.003","90","","95.8","0.02","90","","1093.7","0.5","80","2","80","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H30 Ca O12 -","- C16 H30 Ca O12 -","- C32 H60 Ca2 O24 -","2","0.5","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","0.71073","MoKα","","0.1457","0.0993","","","0.1847","0.2125","","","","","","1.121","","","","has coordinates,has disorder","186952","2020-10-21","18:00:00",""
"4513908","8.768","0.007","9.508","0.006","10.629","0.01","97.45","0.03","100.88","0.03","117.39","0.03","748.4","1.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","1","1","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","1.54178","CuKα","","0.0604","0.0565","","","0.1434","0.1614","","","","","","1.074","","","","has coordinates","186952","2020-10-21","18:00:00",""
"4513910","6.266","0.0004","9.3515","0.0005","9.3563","0.0005","90","","108.635","0.002","90","","519.5","0.05","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl2 O2 Pd S2 -","- C4 H12 Cl2 O2 Pd S2 -","- C8 H24 Cl4 O4 Pd2 S4 -","2","0.5","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0335","0.0334","","","0.0933","0.0934","","","","","","1.14","","","","has coordinates","186951","2020-10-21","18:00:00",""
"4513911","10.1578","0.0003","10.4643","0.0004","16.6141","0.0005","90","","90.274","0.002","90","","1765.96","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 Pd2 -","- C18 H15 Cl2 Pd2 -","- C72 H60 Cl8 Pd8 -","4","1","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0765","0.0711","","","0.1895","0.1959","","","","","","1.116","","","","has coordinates","186951","2020-10-21","18:00:00",""
"4513912","8.9213","0.0001","9.9325","0.0001","20.8095","0.0003","90","","90","","90","","1843.95","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Zhang, Xiao; You, Shu-Li","Enantioselective Synthesis of Pyrrole-Fused Piperazine and Piperazinone Derivatives via Ir-Catalyzed Asymmetric Allylic Amination","ACS Catalysis","2016","6","8","5307","","10.1021/acscatal.6b01585","","","1.54178","CuKα","","0.0274","0.0274","","","0.098","0.0984","","","","","","1.03","","","","has coordinates","186241","2020-10-21","18:00:00",""
"4513918","10.3908","0.0007","11.9666","0.0008","17.1508","0.0013","90","","106.646","0.002","90","","2043.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl4 N8 Pd2 -","- C14 H14 Cl4 N8 Pd2 -","- C56 H56 Cl16 N32 Pd8 -","4","1","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0656","0.0353","","","0.105","0.1295","","","","","","0.882","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513919","13.098","0.004","14.599","0.004","14.668","0.004","90","","113.234","0.012","90","","2577.3","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C80 H72 Cl16 N32 Pd8 -","4","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0955","0.0634","","","0.1442","0.1614","","","","","","1.164","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513920","7.602","0.001","8.298","0.0011","10.7372","0.0015","99.281","0.004","104.335","0.004","102.182","0.004","624.94","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","1","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.1304","0.0748","","","0.165","0.1929","","","","","","1.105","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513921","14.6259","0.0003","13.2292","0.0003","16.0114","0.0003","90","","101.154","0.001","90","","3039.51","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl N3 Ni O -","- C15 H18 Cl N3 Ni O -","- C120 H144 Cl8 N24 Ni8 O8 -","8","1","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.024","0.0219","","","0.0547","0.0559","","","","","","1.078","","","","has coordinates","186953","2020-10-21","18:00:00",""
"4513922","15.7724","0.0004","14.0286","0.0003","16.1653","0.0004","90","","101.236","0.001","90","","3508.25","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N3 Ni O3.5 -","- C17 H21 N3 Ni O3.5 -","- C136 H168 N24 Ni8 O28 -","8","2","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.036","0.0283","","","0.0673","0.0723","","","","","","1.038","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513923","26.861","0.002","7.7454","0.0007","21.4543","0.0019","90","","97.763","0.001","90","","4422.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","AES2-013","Compound-L4-Rh","","- C22 H33 B F4 P Rh -","- C22 H33 B F4 P Rh -","- C176 H264 B8 F32 P8 Rh8 -","8","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0566","0.0412","","","0.0961","0.1068","","","","","","1.032","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513924","10.927","0.002","14.743","0.003","15.848","0.003","106.91","0.009","90.715","0.009","94.619","0.01","2433","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-295","Compound-L2c-Rh","","- C26 H35 B F4 P Rh -","- C26 H35 B F4 P Rh -","- C104 H140 B4 F16 P4 Rh4 -","4","2","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0289","0.0234","","","0.0527","0.0554","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513925","10.1423","0.0004","10.3515","0.0004","12.0166","0.0005","91.342","0.002","100.981","0.001","115.42","0.001","1110.7","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-297","Compound-(L5)Rh","","- C22 H35 B F4 P Rh -","- C22 H35 B F4 P Rh -","- C44 H70 B2 F8 P2 Rh2 -","2","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0214","0.0204","","","0.0512","0.052","","","","","","1.082","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513926","9.48","0.004","5.679","0.002","19.061","0.007","90","","100.77","0.009","90","","1008.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C42 H40 Cl2 N6 O8 -","2","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.1213","0.0855","","","0.2099","0.2354","","","","","","0.982","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513927","7.1807","0.0016","13.199","0.003","19.659","0.004","90","","90","","90","","1863.2","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C84 H80 Cl4 N12 O16 -","4","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.0408","0.0354","","","0.0851","0.0888","","","","","","1.025","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513928","8.6908","0.0004","10.3574","0.0004","13.9701","0.0006","90","","90","","90","","1257.51","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Janssen-Müller, Daniel; Fleige, Mirco; Schlüns, Danny; Wollenburg, Marco; Daniliuc, Constantin G.; Neugebauer, Johannes; Glorius, Frank","NHC-Catalyzed Enantioselective Dearomatizing Hydroacylation of Benzofurans and Benzothiophenes for the Synthesis of Spirocycles","ACS Catalysis","2016","6","9","5735","","10.1021/acscatal.6b01852","","","1.54178","CuKα","","0.037","0.0337","","","0.0797","0.0821","","","","","","1.071","","","","has coordinates","186246","2020-10-21","18:00:00",""
"4513930","9.7885","0.0003","32.8507","0.0011","26.2822","0.0009","90","","93.385","0.002","90","","8436.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MGL-8-090","","","- C39 H70 O2 P2 Pd2 -","- C39 H70 O2 P2 Pd2 -","- C312 H560 O16 P16 Pd16 -","8","2","","Lauer, Matthew G.; Headford, Benjamin R.; Gobble, Olivia M.; Weyhaupt, Michelle B.; Gerlach, Deidra L.; Zeller, Matthias; Shaughnessy, Kevin H.","A Trialkylphosphine-Derived Palladacycle as a Catalyst in the Selective Cross-Dimerization of Terminal Arylacetylenes with Terminal Propargyl Alcohols and Amides","ACS Catalysis","2016","6","9","5834","","10.1021/acscatal.6b01541","","","0.71073","MoKα","","0.0306","0.0251","","","0.0541","0.0563","","","","","","1.074","","","","has coordinates,has disorder","186250","2020-10-21","18:00:00",""
"4513932","13.8177","0.0016","16.467","0.002","14.0445","0.0017","90","","109.613","0.0017","90","","3010.2","0.6","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F6 N2 O3 Rh S Sb -","- C28 H32 F6 N2 O3 Rh S Sb -","- C112 H128 F24 N8 O12 Rh4 S4 Sb4 -","4","1","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.0613","0.0421","","","0.0889","0.0977","","","","","","1.068","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513933","9.8739","0.001","10.6233","0.0011","13.8412","0.0013","86.937","0.003","77.911","0.003","89.004","0.003","1417.6","0.2","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 Cl3 N3 O7 S -","- C28 H24 Cl3 N3 O7 S -","- C56 H48 Cl6 N6 O14 S2 -","2","2","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.1217","0.071","","","0.1508","0.1851","","","","","","1.032","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513934","17.653","0.004","12.7","0.003","9.4888","0.0019","90","","93.31","0.03","90","","2123.8","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O4 S2 -","- C22 H18 N2 O4 S2 -","- C88 H72 N8 O16 S8 -","4","1","","Pan, Fei; Li, Xin-Ling; Chen, Xiu-Mei; Shu, Chao; Ruan, Peng-Peng; Shen, Cang-Hai; Lu, Xin; Ye, Long-Wu","Catalytic Ynamide Oxidation Strategy for the Preparation of α-Functionalized Amides","ACS Catalysis","2016","6","9","6055","","10.1021/acscatal.6b01599","","","0.71073","MoKα","","0.165","0.0873","","","0.2359","0.3512","","","","","","1.048","","","","has coordinates","186244","2020-10-21","18:00:00",""
"4513935","9.2103","0.0004","9.7574","0.0004","14.5275","0.0006","75.23","0.001","88.275","0.001","69.461","0.001","1179.64","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O5 -","- C29 H25 N O5 -","- C58 H50 N2 O10 -","2","1","","Jiang, Liqin; Jin, Weifeng; Hu, Wenhao","Double C‒H Functionalization of Indoles via Three-Component Reactions/CuCl2-Catalyzed Aerobic Dehydrogenative Coupling for the Synthesis of Polyfunctional Cyclopenta[b]indoles","ACS Catalysis","2016","6","9","6146","","10.1021/acscatal.6b01946","","","0.71073","MoKα","","0.0774","0.0492","","","0.1238","0.1472","","","","","","1.019","","","","has coordinates","186245","2020-10-21","18:00:00",""
"4513938","9.842","0.0019","11.556","0.002","9.8592","0.0019","90","","97.807","0.003","90","","1110.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl O2 -","- C25 H31 Cl O2 -","- C50 H62 Cl2 O4 -","2","1","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0338","0.0326","","","0.082","0.0828","","","","","","1.046","","","","has coordinates","187878","2020-10-21","18:00:00",""
"4513939","10.9646","0.0006","16.3287","0.0009","11.9006","0.0007","90","","110.493","0.002","90","","1995.8","0.2","102","2","102","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(MeCN)2(1b)](BF4)2 (8b)","","","- C39 H46 B2 F8 Fe N4 P2 -","- C39 H46 B2 F8 Fe N4 P2 -","- C78 H92 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0743","0.0527","","","0.1166","0.1272","","","","","","1.022","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513940","10.4939","0.001","10.7859","0.001","13.5065","0.0013","101.154","0.003","92.256","0.003","102.353","0.003","1459.9","0.2","103","2","103","2","","","","","","","","8","P 1","P 1","1","[Fe(CNAd)2(1b)](BF4)2, 2 CH2Cl2 (3c)","","","- C59 H74 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","1","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0694","0.0528","","","0.1213","0.1304","","","","","","1.018","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513941","17.3254","0.0013","30.92","0.003","23.005","0.002","90","","90.359","0.003","90","","12323.6","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H33.5 Co F10 N6.5 O1.71 -","- C65.5 H33.5 Co F10 N6.5 O1.706 -","- C524 H268 Co8 F80 N52 O13.648 -","8","2","","Lei, Haitao; Liu, Chengyu; Wang, Zhaojun; Zhang, Zongyao; Zhang, Meining; Chang, Xingmao; Zhang, Wei; Cao, Rui","Noncovalent Immobilization of a Pyrene-Modified Cobalt Corrole on Carbon Supports for Enhanced Electrocatalytic Oxygen Reduction and Oxygen Evolution in Aqueous Solutions","ACS Catalysis","2016","6","10","6429","","10.1021/acscatal.6b01579","","","0.71073","MoKα","","0.1926","0.1315","","","0.3704","0.4059","","","","","","1.459","","","","has coordinates,has disorder","187884","2020-10-21","18:00:00",""
"4513942","8.4122","0.0004","11.7102","0.0005","14.7141","0.0006","90","","103.893","0.004","90","","1407.06","0.11","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Au F6 N4 Sb -","- C22 H32 Au F6 N4 Sb -","- C44 H64 Au2 F12 N8 Sb2 -","2","0.5","","Bartolomé, Camino; Ramiro, Zoraida; Peñas-Defrutos, Marconi N.; Espinet, Pablo","Some Singular Features of Gold Catalysis: Protection of Gold(I) Catalysts by Substoichiometric Agents and Associated Phenomena","ACS Catalysis","2016","6","10","6537","","10.1021/acscatal.6b01825","","x-ray","0.71073","MoKα","","0.0534","0.0319","","","0.0739","0.0877","","","","","","1.031","","","","has coordinates","187883","2020-10-21","18:00:00",""
"4513943","10.6797","0.0004","38.6444","0.0013","25.5186","0.001","90","","94.5702","0.0018","90","","10498.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 B2 F20 N O Zr -","- C55 H51 B2 F20 N O Zr -","- C440 H408 B16 F160 N8 O8 Zr8 -","8","2","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.1218","0.0492","","","0.0867","0.1109","","","","","","0.994","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513944","10.8416","0.0002","16.5385","0.0003","18.9008","0.0003","68.2519","0.0009","74.0118","0.001","72.1388","0.001","2945.45","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C124 H123 B4 Cl F40 N2 O2 Zr2 -","2","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0439","0.0362","","","0.0877","0.0925","","","","","","1.028","","","","has coordinates,has disorder","187881","2020-10-21","18:00:00",""
"4513945","17.1305","0.0006","10.7085","0.0004","29.9187","0.001","90","","90","","90","","5488.3","0.3","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H51 B F20 N2 O Zr -","- C60 H51 B F20 N2 O Zr -","- C240 H204 B4 F80 N8 O4 Zr4 -","4","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0517","0.0371","","","0.0744","0.08","","","","","","1.018","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513946","9.419","0.0008","8.8409","0.0005","11.6624","0.0011","90","","112.966","0.01","90","","894.18","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Zhang, Heyi; Lu, Zhan","Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes","ACS Catalysis","2016","6","10","6596","","10.1021/acscatal.6b02278","","","1.54184","CuKα","","0.0596","0.0479","","","0.1239","0.1407","","","","","","1.039","","","","has coordinates","187887","2020-10-21","18:00:00",""
"4513948","12.3061","0.001","12.6455","0.001","13.1675","0.001","78.8847","0.0012","71.0045","0.0012","87.4156","0.0012","1900.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Zhiyao042215","","","- C25 H38 B3 Cl2 I N12 Ni2 -","- C25 H38 B3 Cl2 I N12 Ni2 -","- C50 H76 B6 Cl4 I2 N24 Ni4 -","2","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0328","0.0244","","","0.0555","0.0584","","","","","","1.032","","","","has coordinates,has disorder","187880","2020-10-21","18:00:00",""
"4513949","22.9867","0.0014","8.2956","0.0005","32.6131","0.0019","90","","109.922","0.001","90","","5846.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H68 Cl2 N8 Ni3 O4 -","- C59 H68 Cl2 N8 Ni3 O4 -","- C236 H272 Cl8 N32 Ni12 O16 -","4","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0783","0.0486","","","0.1171","0.1316","","","","","","1.03","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4513950","8.2687","0.0007","19.3361","0.0015","8.7596","0.0007","90","","115.029","0.001","90","","1269.01","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 B I N4 -","- C24 H30 B I N4 -","- C48 H60 B2 I2 N8 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0395","0.0351","","","0.0777","0.0789","","","","","","1.288","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4513951","9.586","0.004","12.006","0.005","18.204","0.009","90","","96.216","0.011","90","","2082.8","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H55 Cl N4 Ni O0 -","- C40 H55 Cl N4 Ni -","- C80 H110 Cl2 N8 Ni2 -","2","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0865","0.0676","","","0.1662","0.1771","","","","","","1.002","","","","has coordinates,has disorder","187882","2020-10-21","18:00:00",""
"4513952","12.7494","0.0012","28.039","0.003","11.5771","0.0011","90","","90","","90","","4138.6","0.7","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H57 Cl3 N4 Ni O -","- C42 H57 Cl3 N4 Ni O -","- C168 H228 Cl12 N16 Ni4 O4 -","4","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0653","0.0522","","","0.1218","0.1277","","","","","","1.045","","","","has coordinates","187882","2020-10-21","18:00:00",""
"4513953","45.941","0.003","8.7162","0.0006","14.6019","0.001","90","","102.274","0.001","90","","5713.4","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H55 Cl P2 Pd -","- C24 H55 Cl P2 Pd -","- C192 H440 Cl8 P16 Pd8 -","8","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0425","0.0296","","","0.0727","0.0819","","","","","","1.02","","","","has coordinates,has disorder","187885","2020-10-21","18:00:00",""
"4513954","4.5967","0.0006","12.2704","0.0016","15.393","0.002","90","","94.473","0.002","90","","865.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O2 -","- C10 H8 N O2 -","- C40 H32 N4 O8 -","4","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0554","0.0493","","","0.1348","0.1412","","","","","","0.984","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4513955","4.6759","0.0016","11.637","0.004","12.148","0.004","101.704","0.006","94.481","0.006","97.981","0.006","637.1","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","2","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0825","0.0559","","","0.1317","0.152","","","","","","1.005","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4513956","14.349","0.01","9.776","0.007","16.959","0.013","90","","108.332","0.009","90","","2258","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br O2 P -","- C25 H24 Br O2 P -","- C100 H96 Br4 O8 P4 -","4","1","","Toda, Yasunori; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Carbon Dioxide Fixation at Atmospheric Pressure for the Synthesis of Cyclic Carbonates","ACS Catalysis","2016","6","10","6906","","10.1021/acscatal.6b02265","","","0.71073","MoKα","","0.0666","0.0411","","","0.103","0.1097","","","","","","0.907","","","","has coordinates","187877","2020-10-21","18:00:00",""
"4513960","9.45565","0.00011","18.07717","0.0002","13.18336","0.00016","90","","103.903","0.0012","90","","2187.43","0.05","180","0.14","180","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C88 H104 N8 O24 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.5418","CuKα","","0.0404","0.0361","","","0.093","0.0974","","","","","","1.051","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513961","11.81121","0.0001","8.41417","0.00006","16.5698","0.00018","90","","90.8215","0.0008","90","","1646.56","0.03","180","3","180","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0317","0.031","","","0.0814","0.082","","","","","","1.022","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513962","10.28582","0.00014","9.52978","0.00012","16.564","0.0002","90","","90.4024","0.0012","90","","1623.59","0.04","180.2","0.7","180.2","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C76 H68 N4 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.089","0.0914","","","","","","1.029","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513963","5.45149","0.00006","15.7094","0.00012","38.6948","0.0003","90","","90","","90","","3313.81","0.05","180","0.14","180","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0348","0.0327","","","0.0789","0.0798","","","","","","1.065","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513970","34.388","0.002","34.853","0.002","13.3846","0.0007","90","","90","","90","","16041.8","1.6","123","2","123","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 N4 O16 V2 -","- C84 H84 Cd2 N4 O16 V2 -","- C336 H336 Cd8 N16 O64 V8 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1238","0.0984","","","0.2644","0.2805","","","","","","1.074","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513971","33.9506","0.0014","35.3214","0.0012","13.4377","0.0005","90","","90","","90","","16114.3","1","123","2","123","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 Cu N4 O16 V -","- C84 H84 Cd2 Cu N4 O16 V -","- C336 H336 Cd8 Cu4 N16 O64 V4 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1264","0.0978","","","0.2471","0.2666","","","","","","1.076","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513972","6.0503","0.0007","14.698","0.002","18.444","0.003","90","","90","","90","","1640.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","1.54178","CuKα","","0.0557","0.0446","","","0.1024","0.1111","","","","","","0.977","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513973","5.7336","0.0001","16.8181","0.0005","17.4381","0.0006","90","","90","","90","","1681.53","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","0.71073","MoKα","","0.0836","0.0638","","","0.1159","0.1269","","","","","","1.152","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513974","11.0213","0.0018","23.615","0.004","16.094","0.003","90","","105.537","0.002","90","","4035.7","1.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl O P2 Pd -","- C45 H37 Cl O P2 Pd -","- C180 H148 Cl4 O4 P8 Pd4 -","4","1","","Chatterjee, Anamitra; Hopen Eliasson, Sondre H.; Törnroos, Karl W.; Jensen, Vidar R.","Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins","ACS Catalysis","2016","6","11","7784","","10.1021/acscatal.6b02460","","","0.71073","MoKα","","0.0569","0.0421","","","0.0981","0.1045","","","","","","1.068","","","","has coordinates","188906","2020-10-21","18:00:00",""
"4513975","9.6991","0.0008","9.587","0.0007","13.7942","0.0013","90","","105.113","0.009","90","","1238.29","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 S -","- C11 H13 Br O2 S -","- C44 H52 Br4 O8 S4 -","4","2","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.1015","0.0584","","","0.0994","0.1177","","","","","","1.01","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513976","5.4678","0.0005","8.6283","0.0004","18.6625","0.001","90","","91.41","0.007","90","","880.19","0.1","269.85","0.1","269.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C40 H42 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.0749","0.0464","","","0.0963","0.11","","","","","","1.028","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4513977","8.8973","0.0003","6.9477","0.0003","12.2822","0.0005","90","","100.56","0.004","90","","746.37","0.05","293.28","0.1","293.28","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C32 H30 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","1.54184","CuKα","","0.07","0.0692","","","0.1778","0.1792","","","","","","1.083","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4513979","10.7287","0.0003","11.7933","0.0003","20.5611","0.0006","100.143","0.001","97.14","0.001","93.382","0.001","2532.29","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H71 Cu Fe N2 O3 Si2 -","- C51 H71 Cu Fe N2 O3 Si2 -","- C102 H142 Cu2 Fe2 N4 O6 Si4 -","2","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.1133","0.0633","","","0.135","0.1579","","","","","","1.023","","","","has coordinates","188907","2020-10-21","18:00:00",""
"4513980","11.9549","0.0002","10.1772","0.0002","40.3744","0.0006","90","","95.356","0.001","90","","4890.8","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 Cu D6 Fe N2 O3 -","- C52 H62 Cu D6 Fe N2 O3 -","- C208 H248 Cu4 D24 Fe4 N8 O12 -","4","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.0796","0.0649","","","0.1635","0.1764","","","","","","1.051","","","","has coordinates,has disorder","188907","2020-10-21","18:00:00",""
"4513981","20.4853","0.0002","14.08083","0.00013","22.6949","0.0003","90","","95.5664","0.001","90","","6515.47","0.12","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H51 Fe N2 P -","- C34 H51 Fe N2 P -","- C272 H408 Fe8 N16 P8 -","8","1","","Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L.","Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight","ACS Catalysis","2016","6","11","7892","","10.1021/acscatal.6b02290","","x-ray","1.54184","CuKα","","0.0352","0.0309","","","0.0768","0.0794","","","","","","1.033","","","","has coordinates","188903","2020-10-21","18:00:00",""
"4513983","33.03","0.003","14.5141","0.0015","23.743","0.002","90","","106.097","0.002","90","","10936.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.38 H57 Cl1.75 N4 O9 -","- C60.375 H57 Cl1.75 N4 O9 -","- C483 H456 Cl14 N32 O72 -","8","2","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0947","0.0736","","","0.1833","0.1982","","","","","","1.058","","","","has coordinates,has disorder","187792","2020-10-21","18:00:00",""
"4513984","10.405","0.0004","14.2652","0.0006","14.6935","0.0006","90","","90","","90","","2180.95","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N3 O2 -","- C24 H24 Cl N3 O2 -","- C96 H96 Cl4 N12 O8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca","Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity","ACS Catalysis","2016","6","10","6473","","10.1021/acscatal.6b01962","","","0.71073","MoKα","","0.0639","0.0466","","","0.1365","0.1719","","","","","","0.964","","","","has coordinates,has disorder","187793","2020-10-21","18:00:00",""
"4513985","8.3462","0.0002","8.4556","0.0002","8.796","0.0002","113.763","0.002","101.75","0.002","91.594","0.002","552.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Zhiyao100315","","","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","1","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","1.54184","CuKα","","0.0468","0.0428","","","0.1156","0.1189","","","","","","1.154","","","","has coordinates","187794","2020-10-21","18:00:00",""
"4513986","6.8569","0.0006","16.0355","0.0013","8.668","0.0007","90","","98.926","0.001","90","","941.54","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 N8 Ni -","- C16 H24 B2 N8 Ni -","- C32 H48 B4 N16 Ni2 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0481","0.0313","","","0.0682","0.0738","","","","","","1.037","","","","has coordinates","187795","2020-10-21","18:00:00",""
"4516694","5.1839","0.0002","17.316","0.0005","23.0197","0.0007","90","","90","","90","","2066.35","0.12","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark","Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R)","ACS Catalysis","2016","6","8","4946","","10.1021/acscatal.6b00858","","","1.54178","CuKα","","0.0311","0.0296","","","0.0752","0.0762","","","","","","1.056","","","","has coordinates,has disorder","239463","2020-10-21","18:00:00",""
"4516695","12.0346","0.0004","14.3451","0.0005","16.9307","0.0005","101.182","0.002","90.368","0.002","96","0.002","2850.61","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H81 O5 Si Y -","- C62 H81 O5 Si Y -","- C124 H162 O10 Si2 Y2 -","2","1","","Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing","Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts","ACS Catalysis","2016","6","8","4907","","10.1021/acscatal.6b00881","","","0.71073","MoKα","","0.101","0.0668","","","0.1697","0.1914","","","","","","1.02","","","","has coordinates","239464","2020-10-21","18:00:00",""
"4516696","12.1686","0.0004","15.7163","0.0005","17.6104","0.0006","90","","100.762","0.0011","90","","3308.67","0.19","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H87 Co N6 O2 Si2 -","- C76 H87 Co N6 O2 Si2 -","- C152 H174 Co2 N12 O4 Si4 -","2","1","","Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R.","A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes","ACS Catalysis","2016","6","6","3589","","10.1021/acscatal.6b01091","","x-ray","0.71073","MoKα","","0.0295","0.0276","","","0.0708","0.0737","","","","","","1.041","","","","has coordinates,has disorder","239465","2020-10-21","18:00:00",""
"4516697","19.0698","0.0004","19.0698","0.0004","9.8294","0.0007","90","","90","","90","","3574.5","0.3","85","","85","","","","","","","","","6","P -4","P -4","81","","","","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0381","0.0374","","","0.0931","0.0936","","","","","","1.139","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516698","12.9692","0.0002","16.8857","0.0003","17.268","0.0012","90","","90.769","0.006","90","","3781.2","0.3","85","","85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0832","0.0788","","","0.215","0.2205","","","","","","1.097","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516699","9.5413","0.0005","12.5331","0.0012","16.6646","0.0014","90","","90","","90","","1992.8","0.3","295.14","0.1","295.14","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N O2 -","- C22 H21 Cl N2 O2 -","- C88 H84 Cl4 N8 O8 -","4","1","","Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui","Enantioselective Dearomative Arylation of Isoquinolines","ACS Catalysis","2016","6","8","5290","","10.1021/acscatal.6b01693","","x-ray","0.71073","MoKα","","0.1522","0.0734","","","0.1357","0.1892","","","","","","1.035","","","","has coordinates","239467","2020-10-21","18:00:00",""
"4516700","11.23","0.003","12.753","0.003","20.255","0.004","85.686","0.005","80.147","0.006","74.114","0.006","2747.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N O -","- C38 H27 N O -","- C152 H108 N4 O4 -","4","2","","Li, Xingwei; Yang, Xifa; Qi, Zisong","Synthesis of Cyclopentadienols by Rhodium-Catalyzed C‒H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes","ACS Catalysis","2016","6","10","6372","","10.1021/acscatal.6b01936","","","0.71073","MoKα","","0.1525","0.0746","","","0.1715","0.2169","","","","","","0.966","","","","has coordinates","239469","2020-10-21","18:00:00",""
"4516701","9.4338","0.0003","11.4458","0.0003","23.1231","0.0007","90","","97.4269","0.0008","90","","2475.83","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 O5 P -","- C26 H35 O5 P -","- C104 H140 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.038","0.034","","","0.092","0.0959","","","","","","1.035","","","","has coordinates","239470","2020-10-21","18:00:00",""
"4516702","4.5729","0.0002","14.1363","0.0005","11.7191","0.0004","90","","100.631","0.0008","90","","744.57","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 O4 P -","- C7 H5 O4 P -","- C28 H20 O16 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0491","0.0474","","","0.1305","0.1317","","","","","","1.12","","","","has coordinates","239471","2020-10-21","18:00:00",""
"4516703","10.8599","0.0003","15.1287","0.0004","15.5406","0.0004","102.742","0.0006","101.78","0.0007","100.56","0.0006","2367.22","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 O12 P2 Rh -","- C48 H53 O12 P2 Rh -","- C96 H106 O24 P4 Rh2 -","2","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0318","0.0279","","","0.0687","0.0718","","","","","","1.035","","","","has coordinates","239472","2020-10-21","18:00:00",""
"4516704","7.9973","0.0003","11.7658","0.0005","18.4161","0.0007","90","","93.7246","0.0008","90","","1729.2","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.046","0.0349","","","0.0845","0.0915","","","","","","1.038","","","","has coordinates","239473","2020-10-21","18:00:00",""
"4516705","8.6854","0.0006","11.1584","0.0006","12.3533","0.0007","110.734","0.003","96.486","0.004","95.657","0.004","1100.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0605","0.0399","","","0.0997","0.1075","","","","","","1.04","","","","has coordinates","239474","2020-10-21","18:00:00",""
"4516706","16.7984","0.0008","13.6152","0.0007","16.9579","0.0009","90","","103.928","0.003","90","","3764.5","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C156 H128 B4 Cl8 F16 Fe4 N4 O12 P8 -","4","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0713","0.0427","","","0.0912","0.0988","","","","","","1.046","","","","has coordinates,has disorder","239475","2020-10-21","18:00:00",""
"4516707","12.2695","0.0007","12.9467","0.0007","14.1404","0.0008","78.636","0.003","69.027","0.003","83.561","0.003","2054.1","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C80 H68 B2 Cl6 F8 Fe2 N4 O4 P4 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0846","0.0456","","","0.0947","0.1038","","","","","","1.048","","","","has coordinates,has disorder","239476","2020-10-21","18:00:00",""
"4516708","6.9941","0.00007","17.4234","0.0002","17.1188","0.0002","90","","98.8919","0.0009","90","","2061.04","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C72 H84 F12 N16 Ni4 O12 S4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0323","0.0268","","","0.0655","0.0686","","","","","","1.066","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516709","13.4405","0.0003","10.5724","0.0003","11.268","0.0003","90","","93.709","0.002","90","","1597.81","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N3 Ni O -","- C15 H16 I N3 Ni O -","- C60 H64 I4 N12 Ni4 O4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0279","0.0224","","","0.047","0.0499","","","","","","1.031","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516710","14.416","0.0002","11.0236","0.0002","25.901","0.0004","90","","98.801","0.002","90","","4067.62","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C144 H168 F24 N32 Ni8 O24 S8 -","8","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0368","0.0299","","","0.0707","0.0755","","","","","","1.035","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516711","24.0256","0.0005","13.1262","0.0003","22.3213","0.0006","90","","90","","90","","7039.4","0.3","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Fe N4 O3 -","- C40 H46 Fe N4 O3 -","- C320 H368 Fe8 N32 O24 -","8","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","0.71073","MoKα","","0.0631","0.046","","","0.103","0.1099","","","","","","1.08","","","","has coordinates","239478","2020-10-21","18:00:00",""
"4516712","22.7811","0.0006","22.9453","0.0006","13.3383","0.0003","90","","90","","90","","6972.2","0.3","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C150 H162 F12 Fe4 N12 O6 P2 -","- C150 H162 F12 Fe4 N12 O6 P2 -","- C300 H324 F24 Fe8 N24 O12 P4 -","2","0.5","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","","0.71073","MoKα","","0.0323","0.0282","","","0.0739","0.077","","","","","","1.083","","","","has coordinates","239479","2020-10-21","18:00:00",""
"4516713","8.0949","0.0002","23.7481","0.0005","17.1961","0.0005","90","","97.427","0.003","90","","3278.02","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Fe N6 O6 -","- C36 H36 Fe N6 O6 -","- C144 H144 Fe4 N24 O24 -","4","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0635","0.0462","","","0.0933","0.1","","","","","","1.034","","","","has coordinates","239480","2020-10-21","18:00:00",""
"4516714","15.49431","0.00014","16.23501","0.00013","15.84297","0.00016","90","","107.287","0.001","90","","3805.28","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Fe N4 O5 -","- C42 H50 Fe N4 O5 -","- C168 H200 Fe4 N16 O20 -","4","2","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0367","0.0323","","","0.0783","0.0803","","","","","","1.026","","","","has coordinates","239481","2020-10-21","18:00:00",""
"4516715","10.2029","0.001","19.4064","0.0018","7.7687","0.0007","90","","91.548","0.008","90","","1537.7","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno","Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles","ACS Catalysis","2016","6","10","7197","","10.1021/acscatal.6b02439","","","0.71069","MoKα","","0.0975","0.065","","0.103","0.0779","0.0724","","","","","","1.044","","","","has coordinates","239482","2020-10-21","18:00:00",""
"4516716","9.0058","0.0001","9.3091","0.0001","17.9195","0.0012","79.797","0.007","80.388","0.007","89.868","0.006","1457.21","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl3 N4 Ni O2 -","- C33 H22 Cl3 N4 Ni O2 -","- C66 H44 Cl6 N8 Ni2 O4 -","2","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54187","CuKα","","0.0916","0.0676","","","0.1791","0.2033","","","","","","1.096","","","","has coordinates","239483","2020-10-21","18:00:00",""
"4516717","29.3161","0.0007","8.847","0.0003","16.2475","0.0011","90","","122.222","0.009","90","","3564.9","0.5","566","2","566.3","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H29 F4 N2 O2 -","- C45 H29 F4 N2 O2 -","- C180 H116 F16 N8 O8 -","4","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54178","CuKα","","0.0537","0.0472","","","0.1342","0.1435","","","","","","1.08","","","","has coordinates,has disorder","239484","2020-10-21","18:00:00",""
"4516718","5.6343","0.0001","17.0439","0.0004","18.3976","0.0004","90","","90","","90","","1766.73","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C76 H88 O20 S4 -","4","1","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0244","0.0236","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4516719","13.0843","0.0009","30.4","0.002","6.6223","0.0005","90","","92.47","0.002","90","","2631.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Cl2 N2 Ni O5 -","- C22 H40 Cl2 N2 Ni O5 -","- C88 H160 Cl8 N8 Ni4 O20 -","4","0.5","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0617","0.0571","","","0.1568","0.1639","","","","","","1.083","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4516720","13.278","0.002","17.113","0.003","20.133","0.003","90","","90","","90","","4574.7","1.3","168","2","168","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H23 Cl Cu N2 O3 -","- C26 H23 Cl Cu N2 O3 -","- C208 H184 Cl8 Cu8 N16 O24 -","8","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0307","0.0271","","","0.0749","0.0767","","","","","","1.029","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516721","12.615","0.003","13.308","0.003","13.396","0.003","90","","116.537","0.003","90","","2012","0.8","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cu F3 N2 O2 -","- C22 H14 Br Cu F3 N2 O2 -","- C88 H56 Br4 Cu4 F12 N8 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0297","0.0244","","","0.0625","0.065","","","","","","1.038","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516722","15.5811","0.0004","8.8795","0.0003","17.1799","0.0005","90","","96.394","0.001","90","","2362.09","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl Cu N3 O2 -","- C29 H22 Cl Cu N3 O2 -","- C116 H88 Cl4 Cu4 N12 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0398","0.0306","","","0.0733","0.0778","","","","","","1.03","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516723","7.3869","0.001","17.69","0.003","14.677","0.002","90","","90.094","0.002","90","","1917.9","0.5","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.03","0.0285","","","0.0723","0.0738","","","","","","1.044","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516724","9.019","0.005","14.953","0.009","20.897","0.013","86.86","0.03","85.15","0.02","89.96","0.04","2804","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cu N2 O4 -","- C31 H38 Cu N2 O4 -","- C124 H152 Cu4 N8 O16 -","4","2","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0763","0.0481","","","0.1029","0.1156","","","","","","1.042","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516725","9.5117","0.0004","16.2069","0.0007","19.2829","0.0008","95.824","0.001","98.182","0.001","102.531","0.001","2845.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","1","0.5","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0628","0.0426","","","0.1085","0.1204","","","","","","1.022","","","","has coordinates","239487","2020-10-21","18:00:00",""