# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:56:33+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS Catalysis') AND volume = 10 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
"4517169","9.6851","0.0003","7.3807","0.0003","31.3965","0.0011","90","","90","","90","","2244.31","0.14","180.01","0.12","180.01","0.12","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Wu, Bin; Zhu, Rong","Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes","ACS Catalysis","2019","10","1","510","","10.1021/acscatal.9b04774","","x-ray","1.54184","CuKα","","0.0795","0.0755","","","0.1797","0.182","","","","","","1.022","","","","has coordinates","246531","2020-10-21","18:00:00",""
"4517213","11.0969","0.0003","18.3586","0.0005","12.3866","0.0003","90","","94.46","0.002","90","","2515.8","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 F6 O4 P4 Pd -","- C58 H52 F6 O4 P4 Pd -","- C116 H104 F12 O8 P8 Pd2 -","2","0.5","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0386","0.0291","","","0.0637","0.0694","","","","","","1.049","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517214","11.3082","0.0005","17.6113","0.0011","13.8182","0.0006","90","","92.789","0.004","90","","2748.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl2 P2 Pd -","- C29 H30 Cl2 P2 Pd -","- C116 H120 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0541","0.0377","","","0.0735","0.0821","","","","","","1.022","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517215","21.8565","0.0006","14.7082","0.0004","22.7524","0.0006","90","","90","","90","","7314.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl4 P2 Pd -","- C36 H44 Cl4 P2 Pd -","- C288 H352 Cl32 P16 Pd8 -","8","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0713","0.0469","","","0.1043","0.1192","","","","","","1.046","","","","has coordinates,has disorder","246532","2020-10-21","18:00:00",""
"4517216","11.2984","0.0005","20.6157","0.0008","14.14","0.0006","90","","110.081","0.005","90","","3093.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Cl2 P2 Pd -","- C33 H38 Cl2 P2 Pd -","- C132 H152 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","x-ray","0.71073","MoKα","","0.0536","0.0352","","","0.074","0.0829","","","","","","1.033","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517217","5.1932","0.0002","15.4161","0.0006","18.5227","0.0012","72.871","0.005","83.638","0.004","89.832","0.003","1407.71","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","1","0.5","","Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji","Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids","ACS Catalysis","2019","10","1","683","","10.1021/acscatal.9b03894","","x-ray","1.54184","CuKα","","0.107","0.0953","","","0.2701","0.2797","","","","","","1.06","","","","has coordinates,has disorder","246533","2020-10-21","18:00:00",""
"4517218","22.0893","0.0004","9.47947","0.00015","14.2315","0.0003","90","","107.915","0.002","90","","2835.51","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O4 S Si4 -","- C20 H40 O4 S Si4 -","- C80 H160 O16 S4 Si16 -","4","1","","Zhang, Zhikun; Hu, Xile","Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis","ACS Catalysis","2019","10","1","777","","10.1021/acscatal.9b04916","","x-ray","1.54184","CuKα","","0.0428","0.0414","","","0.1124","0.1139","","","","","","1.047","","","","has coordinates","246530","2020-10-21","18:00:00",""
"4517365","10.9997","0.0001","10.5162","0.0001","14.1245","0.0001","90","","106.586","0.001","90","","1565.87","0.02","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H36 Fe N O P S -","- C37 H36 Fe N O P S -","- C74 H72 Fe2 N2 O2 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0452","0.0441","","","0.115","0.1157","","","","","","1.058","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517366","9.5052","0.0001","11.4481","0.0001","11.0312","0.0001","90","","93.722","0.001","90","","1197.84","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H23 O P -","- C32 H23 O P -","- C64 H46 O2 P2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0971","0.0974","","","","","","1.053","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517367","10.3729","0.0003","11.5112","0.0002","15.6134","0.0003","90","","106.888","0.002","90","","1783.91","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1537","0.1546","","","","","","1.049","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517368","13.5499","0.0005","15.2341","0.0005","24.4346","0.0009","90","","90","","90","","5043.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F3 N O6 S -","- C27 H24 F3 N O6 S -","- C216 H192 F24 N8 O48 S8 -","8","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0527","","","","0.127","","","","","","1.032","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517369","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517370","9.4313","0.0003","11.4154","0.0004","13.8509","0.0004","84.332","0.006","74.645","0.006","85.308","0.006","1428.55","0.09","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F4 N O6 S -","- C29 H29 F4 N O6 S -","- C58 H58 F8 N2 O12 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0484","","","","0.1277","","","","","","1.035","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517383","9.6286","0.0003","10.7523","0.0003","25.4679","0.0008","90","","90","","90","","2636.68","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Br2 O4 -","- C31 H26 Br2 O4 -","- C124 H104 Br8 O16 -","4","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0455","0.0321","","","0.0562","0.0613","","","","","","1.047","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517384","7.712","0.002","10.915","0.003","12.298","0.003","114.959","0.006","99.228","0.006","100.157","0.007","891.3","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C48 H40 O6 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0868","0.0541","","","0.1265","0.1469","","","","","","0.992","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517385","8.89","0.0004","21.1643","0.0011","11.0358","0.0005","90","","104.694","0.002","90","","2008.48","0.17","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H42 O2 P2 -","- C53 H42 O2 P2 -","- C106 H84 O4 P4 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0643","0.0458","","","0.0891","0.1004","","","","","","1.036","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517476","15.7036","0.0016","13.5822","0.0014","9.9735","0.001","90","","97.264","0.007","90","","2110.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br O -","- C23 H33 Br O -","- C92 H132 Br4 O4 -","4","1","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","","0.71075","MoKα","","","0.0604","","","","0.1311","","","","","","1.035","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517477","9.0497","0.0003","11.0964","0.0005","17.4034","0.0005","80.749","0.003","86.494","0.002","89.645","0.003","1721.66","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Br O -","- C20 H21 Br O -","- C80 H84 Br4 O4 -","4","2","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","x-ray","1.54184","CuKα","","0.0932","0.0868","","","0.2355","0.2403","","","","","","1.083","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517481","9.6626","0.0011","10.1376","0.0012","11.1294","0.0015","97.909","0.011","105.084","0.011","114.113","0.011","923.2","0.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C42 H48 N8 O2 -","2","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","0.71073","MoKα","","0.0974","0.0683","","","0.1658","0.1834","","","","","","1.06","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517482","10.2367","0.0003","11.4102","0.0004","13.7829","0.0005","109.851","0.003","92.169","0.003","112.466","0.003","1373.04","0.1","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","1.54184","CuKα","","0.0443","0.0405","","","0.1127","0.1177","","","","","","1.023","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517495","7.447","0.0002","14.6245","0.0004","19.8929","0.0005","90","","90","","90","","2166.51","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C108 H136 O12 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.0405","0.0358","","","0.0908","0.0945","","","","","","1.031","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517496","12.2802","0.0006","7.2838","0.0004","37.4807","0.0017","90","","90.803","0.004","90","","3352.2","0.3","180","0.1","180","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C156 H216 O20 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.1091","0.0598","","","0.1074","0.1213","","","","","","1.01","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517497","5.9236","0.0012","13.586","0.003","12.496","0.003","90","","100.7","0.03","90","","988.2","0.4","113.15","","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","","0.71073","MoKα","","0.0631","0.0447","","","0.096","0.1134","","","","","","0.925","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517502","17.846","0.0003","15.0741","0.0002","18.2288","0.0003","90","","94.492","0.001","90","","4888.71","0.13","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 Cl3 N P Pd -","- C20 H37 Cl3 N P Pd -","- C160 H296 Cl24 N8 P8 Pd8 -","8","1","","Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.","Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions","ACS Catalysis","2020","10","7","4127","4135","10.1021/acscatal.0c00221","","x-ray","0.71073","MoKα","","0.0176","0.016","","","0.0393","0.0398","","","","","","1.0368","","","","has coordinates,has disorder","257005","2020-10-21","18:00:00",""
"4517513","16.6366","0.0007","12.7954","0.0006","37.4749","0.0017","90","","101.172","0.002","90","","7826.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H64 B Co F24 P4 -","- C86 H64 B Co F24 P4 -","- C344 H256 B4 Co4 F96 P16 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0421","0.0348","","","0.0881","0.0921","","","","","","1.023","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517514","14.1589","0.0009","17.0352","0.001","24.3773","0.0014","90","","100.025","0.003","90","","5790","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Br3 Co O P4 Zn -","- C58 H60 Br3 Co O P4 Zn -","- C232 H240 Br12 Co4 O4 P16 Zn4 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0537","0.0359","","","0.0867","0.0929","","","","","","1.044","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517519","10.2077","0.0004","19.7705","0.0007","8.1575","0.0003","90","","97.395","0.001","90","","1632.58","0.11","99.93","","99.93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.038","0.0364","","","0.0939","0.0953","","","","","","1.071","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517520","9.0581","0.0012","9.9273","0.0012","10.2645","0.0012","105.947","0.004","96.819","0.004","97.151","0.004","869.2","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0437","0.0409","","","0.1051","0.1077","","","","","","1.036","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517521","8.7963","0.0009","10.354","0.0012","11.5419","0.0014","110.43","0.003","100.373","0.003","101.27","0.004","930.16","0.19","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0469","0.041","","","0.1026","0.1081","","","","","","1.048","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517547","15.249","0.0008","6.1775","0.0003","16.2653","0.0009","90","","113.939","0.002","90","","1400.4","0.13","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","2","","Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng","Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid","ACS Catalysis","2020","10","8","4786","4790","10.1021/acscatal.0c00610","","","1.34139","GaKα","","0.0877","0.0652","","","0.1546","0.1739","","","","","","1.025","","","","has coordinates","256990","2020-10-21","18:00:00",""
"4517568","31.3169","0.0009","13.0613","0.0003","7.9634","0.0002","90","","90","","90","","3257.34","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H14 Cl I N2 O2 -","- C17 H14 Cl I N2 O2 -","- C136 H112 Cl8 I8 N16 O16 -","8","1","","Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong","Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization","ACS Catalysis","2020","10","9","4983","4989","10.1021/acscatal.0c01209","","x-ray","0.71073","MoKα","","0.0302","0.0233","","","0.0505","0.0525","","","","","","1.025","","","","has coordinates","257010","2020-10-21","18:00:00",""
"4517571","8.0634","0.0002","19.6046","0.0006","12.6297","0.0004","90","","93.722","0.003","90","","1992.29","0.1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl Ir N2 O -","- C22 H26 Cl Ir N2 O -","- C88 H104 Cl4 Ir4 N8 O4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","0.71073","MoKα","","0.0416","0.0344","","","0.0839","0.0867","","","","","","1.088","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517572","20.4075","0.0004","8.0569","0.0002","14.2212","0.0003","90","","103.892","0.002","90","","2269.87","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O2 Si -","- C23 H32 N2 O2 Si -","- C92 H128 N8 O8 Si4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0954","0.0874","","","0.2409","0.2485","","","","","","1.083","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517573","8.2563","0.0005","8.5661","0.0004","19.6108","0.0011","78.098","0.004","89.653","0.005","71.445","0.005","1283.94","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 N2 O3 S Si -","- C27 H36 N2 O3 S Si -","- C54 H72 N4 O6 S2 Si2 -","2","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0719","0.0647","","","0.1747","0.1829","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517574","43.3006","0.0008","12.9147","0.0002","24.7725","0.0004","90","","103.997","0.0017","90","","13441.8","0.4","123","","123","","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C65 H59 B Cl F24 Ir N2 O Si -","- C65 H59 B Cl F24 Ir N2 O Si -","- C520 H472 B8 Cl8 F192 Ir8 N16 O8 Si8 -","8","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0443","0.0428","","","0.1168","0.118","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517575","20.6873","0.0011","7.8511","0.0004","26.1279","0.0012","90","","98.161","0.004","90","","4200.7","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 O -","- C23 H10 Cl Ir N2 O -","- C184 H80 Cl8 Ir8 N16 O8 -","8","2","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.1088","0.1024","","","0.2379","0.2412","","","","","","1.094","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517576","7.4602","0.0008","7.7802","0.0009","14.1269","0.0015","92.011","0.004","102.586","0.004","97.486","0.004","791.72","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C36 H28 N4 O10 -","2","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0772","0.0546","","","0.1148","0.1262","","","","","","1.03","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517577","11.9493","0.0017","6.9494","0.0009","17.493","0.003","90","","104.384","0.005","90","","1407.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br Cl3 N O2 -","- C12 H9 Br Cl3 N O2 -","- C48 H36 Br4 Cl12 N4 O8 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0558","0.0449","","","0.1141","0.1258","","","","","","1.039","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517578","7.5628","0.0017","16.969","0.004","11.191","0.002","90","","105.563","0.0019","90","","1383.5","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.047","0.0382","","","0.0928","0.1","","","","","","1.041","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517579","7.4538","0.0003","16.3766","0.0007","12.0863","0.0005","90","","106.556","0.002","90","","1414.18","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O3 -","- C16 H11 Cl N2 O3 -","- C64 H44 Cl4 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.054","0.0397","","","0.0943","0.1036","","","","","","1.028","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517598","7.7639","0.0011","9.7745","0.0015","16.044","0.003","90.123","0.007","96.248","0.006","112.826","0.006","1114.2","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","1375_diff_tol","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C46 H56 N4 O4 S2 -","2","2","","Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José","Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation","ACS Catalysis","2020","10","9","5335","5346","10.1021/acscatal.0c01413","","","0.71073","MoKα","","0.1243","0.0517","","","0.1085","0.143","","","","","","1.017","","","","has coordinates","257011","2020-10-21","18:00:00",""
"4517639","13.5688","0.0014","11.1801","0.001","11.1208","0.001","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C20 H32 -","- C20 H32 -","- C80 H128 -","4","1","","Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying","Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts","ACS Catalysis","2020","10","10","5846","5851","10.1021/acscatal.0c01575","","","1.54184","CuKα","","0.0756","0.053","","","0.1274","0.1488","","","","","","1.026","","","","has coordinates","256989","2020-10-21","18:00:00",""
"4517770","9.9422","0.0008","6.0314","0.0005","15.453","0.0012","90","","103.236","0.002","90","","902.03","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B2 F6 K2 O4 -","- C12 H18 B2 F6 K2 O4 -","- C24 H36 B4 F12 K4 O8 -","2","1","","Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H.","Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks","ACS Catalysis","2020","10","13","7112","7116","10.1021/acscatal.0c01888","","","0.71073","MoKα","","0.0225","0.0215","","","0.056","0.0565","","","","","","1.054","","","","has coordinates","257001","2020-10-21","18:00:00",""
"4517772","8.389","0.003","9.214","0.002","9.659","0.003","102.796","0.014","99.295","0.016","100.694","0.01","699.2","0.4","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0222","0.0214","","","0.0497","0.0502","","","","","","1.057","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517773","10.5631","0.0003","10.5631","0.0003","34.9612","0.0011","90","","90","","90","","3900.9","0.2","170","2","170","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 Br2 Fe N2 O2 -","- C20 H18 Br2 Fe N2 O2 -","- C160 H144 Br16 Fe8 N16 O16 -","8","1","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0458","0.038","","","0.0797","0.083","","","","","","1.031","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517774","5.2215","0.0013","7.9597","0.0019","23.385","0.006","87.72","0.008","86.471","0.008","89.947","0.007","969.3","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C21 H17 Br2 N O2 S -","- C21 H17 Br2 N O2 S -","- C42 H34 Br4 N2 O4 S2 -","2","2","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","","0.71073","MoKα","","0.1","0.0875","","","0.2155","0.228","","","","","","1.032","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517775","12.4627","0.0009","18.1472","0.0012","12.9349","0.0009","90","","93.987","0.003","90","","2918.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C104 H168 Cl16 Ir8 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.1176","0.1097","","","0.2322","0.2356","","","","","","1.28","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517776","5.5584","0.0014","14.559","0.004","27.412","0.007","90","","90","","90","","2218.3","1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 F6 N O4 S -","- C23 H17 F6 N O4 S -","- C92 H68 F24 N4 O16 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0784","0.0663","","","0.1691","0.18","","","","","","1.047","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517777","10.993","0.0005","14.5354","0.0007","12.7588","0.0007","90","","94.905","0.002","90","","2031.23","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Ir O S -","- C24 H27 Ir O S -","- C96 H108 Ir4 O4 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0426","0.0388","","","0.1051","0.1077","","","","","","1.059","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517778","8.3494","0.0005","9.1549","0.0006","9.6175","0.0006","102.865","0.002","98.989","0.002","100.722","0.002","689.02","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0323","0.0313","","","0.086","0.0867","","","","","","1.095","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517779","10.548","0.003","11.96","0.003","13.948","0.003","94.54","0.005","111.21","0.004","115.903","0.004","1415.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin","Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters","ACS Catalysis","2020","10","13","7262","7268","10.1021/acscatal.0c02414","","","0.71073","MoKα","","0.2061","0.1036","","","0.2003","0.2382","","","","","","1.161","","","","has coordinates","257000","2020-10-21","18:00:00",""
"4517796","12.6221","0.0006","20.3106","0.001","22.3941","0.001","90","","90","","90","","5741","0.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C204 H204 F36 N20 O36 P12 Ru4 S12 -","4","1","","Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S.","Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere","ACS Catalysis","2020","10","13","7419","7423","10.1021/acscatal.0c02268","","","0.71073","MoKα","","0.0407","0.0376","","","0.0931","0.095","","","","","","1.074","","","","has coordinates,has disorder","257003","2020-10-21","18:00:00",""
"4518051","9.8601","0.0003","5.6544","0.0002","44.1243","0.0015","90","","90","","90","","2460.06","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","2","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0624","0.0572","","","0.1283","0.1308","","","","","","1.094","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518052","9.2362","0.0003","10.9879","0.0003","23.7378","0.0007","90","","90","","90","","2409.06","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0744","0.059","","","0.1449","0.1549","","","","","","1.071","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518053","14.6389","0.0003","5.303","0.0001","13.1361","0.0003","90","","106.994","0.001","90","","975.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O -","- C12 H16 O -","- C48 H64 O4 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0385","0.0341","","","0.0837","0.0867","","","","","","1.049","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518054","9.1475","0.0002","19.6782","0.0005","7.9541","0.0002","90","","92.11","0.001","90","","1430.82","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 -","- C15 H28 O2 -","- C60 H112 O8 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0791","0.0729","","","0.1931","0.2031","","","","","","1.122","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518056","13.1697","0.0001","8.5458","0.0001","33.8861","0.0003","90","","90","","90","","3813.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 S2 -","- C20 H24 O5 S2 -","- C160 H192 O40 S16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0307","","","0.0749","0.0767","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518057","27.5054","0.0002","7.159","0.0001","28.9864","0.0002","90","","91.009","0.001","90","","5706.86","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C128 H210 O13 -","- C128 H210 O13 -","- C256 H420 O26 -","2","0.5","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0354","0.0343","","","0.0922","0.0931","","","","","","1.036","","","","has coordinates,has disorder","256998","2020-10-21","18:00:00",""
"4518058","6.46515","0.00012","7.56208","0.00015","26.4823","0.0006","90","","93.8866","0.0018","90","","1291.74","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0438","0.0392","","","0.0938","0.0963","","","","","","1.064","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518059","13.4325","0.0004","9.9472","0.0003","15.5089","0.0005","90","","101.16","0.003","90","","2033.05","0.11","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B N O4 -","- C20 H30 B N O4 -","- C80 H120 B4 N4 O16 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","0.71073","MoKα","","0.069","0.0578","","","0.1043","0.1092","","","","","","1.057","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518060","11.66361","0.00012","15.02503","0.00019","11.25687","0.00012","90","","97.1362","0.001","90","","1957.44","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O4 S2 -","- C20 H22 F2 O4 S2 -","- C80 H88 F8 O16 S8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0333","0.0311","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518061","14.75517","0.0001","11.9167","0.00008","18.31913","0.00011","90","","93.7103","0.0006","90","","3214.35","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 O3 S -","- C37 H56 O3 S -","- C148 H224 O12 S4 -","4","2","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0323","","","0.0849","0.0859","","","","","","1.05","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518062","23.988","0.0003","6.72515","0.00007","18.4587","0.0002","90","","109.443","0.0012","90","","2808","0.06","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C128 H208 O16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0371","0.0345","","","0.0864","0.0883","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518064","14.8299","0.0005","7.4261","0.0003","11.4598","0.0004","90","","109.078","0.0009","90","","1192.73","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0611","0.0427","","","0.1086","0.1212","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518065","12.3333","0.0004","11.1772","0.0004","19.7023","0.0006","90","","101.316","0.001","90","","2663.2","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C144 H96 O24 -","8","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0802","0.0501","","","0.1143","0.1334","","","","","","1.017","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518066","11.0065","0.0003","13.6364","0.0003","7.4223","0.0002","90","","101.195","0.001","90","","1092.81","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F3 O3 -","- C13 H7 F3 O3 -","- C52 H28 F12 O12 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0647","0.0461","","","0.1334","0.1489","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518119","15.4262","0.0003","17.0323","0.0003","19.6403","0.0004","90","","111.781","0.003","90","","4791.96","0.19","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C188 H204 Al4 Cl16 N20 O16 P8 Rh4 -","4","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.0667","0.0494","","","0.1201","0.1278","","","","","","1.107","","","","has coordinates","258696","2020-11-04","01:15:24",""
"4518120","16.4861","0.0002","17.1218","0.0002","18.1159","0.0002","102.604","0.001","96.8135","0.001","92.8749","0.0009","4939.85","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C176 H136 Cl28 Ga8 N16 P8 Rh4 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.109","0.0988","","","0.2187","0.2224","","","","","","1.231","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518121","12.4389","0.0001","13.5826","0.0003","15.0995","0.0003","83.4699","0.0017","80.9723","0.0015","86.2699","0.0013","2500.25","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C94 H90 Cl14 In4 N6 O4 P4 Rh2 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0285","0.0255","","","0.0612","0.0624","","","","","","1.079","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518122","37.4179","0.0001","14.6854","0.0001","22.6886","0.0001","90","","90.5378","0.0003","90","","12466.8","0.11","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C504 H440 Cl48 Ga16 N24 O12 P24 Rh8 -","4","0.5","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0334","0.0324","","","0.0893","0.09","","","","","","1.065","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518195","11.3768","0.0002","13.3425","0.0002","24.5874","0.0005","90","","90","","90","","3732.24","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C160 H152 Br8 N16 O24 -","8","2","","Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro","Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction","ACS Catalysis","2020","10","22","13296","13304","10.1021/acscatal.0c04057","","","1.54187","CuKα","","0.0673","0.0462","","","0.0758","0.0817","","","","","","1.023","","","","has coordinates","259501","2020-12-04","02:11:54",""
"4518198","14.0181","0.0011","8.46","0.0007","16.4369","0.0013","90","","102.753","0.001","90","","1901.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I N2 Rh -","- C20 H24 I N2 Rh -","- C80 H96 I4 N8 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0397","0.0251","","","0.0483","0.0522","","","","","","1.018","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518199","17.652","0.0018","12.0217","0.0012","14.0368","0.0014","90","","113.194","0.001","90","","2738","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl3 I N3 Rh -","- C26 H28 Cl3 I N3 Rh -","- C104 H112 Cl12 I4 N12 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0887","0.0554","","","0.101","0.111","","","","","","1.065","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518200","12.9396","0.0011","12.9396","0.0011","35.996","0.004","90","","90","","90","","6026.9","1","125","2","125","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Ti(NtBu)ind2py2","","","- C30 H31 N5 Ti -","- C30 H31 N5 Ti -","- C240 H248 N40 Ti8 -","8","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0266","0.0237","","","0.0599","0.0617","","","","","","1.071","","","","has coordinates","259500","2020-12-04","02:11:41",""
"4518201","9.4737","0.0004","36.2928","0.0016","19.9562","0.001","90","","95.112","0.002","90","","6834.2","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(NtBu)carb2py2","","","- C82.52 H77.04 N10 Ti2 -","- C82.522 H77.044 N10 Ti2 -","- C330.088 H308.176 N40 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0698","0.0503","","","0.1068","0.1152","","","","","","1.065","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518202","24.117","0.003","15.0952","0.0014","20.943","0.002","90","","114.01","0.004","90","","6964.6","1.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ti(NtBu)(O^P)3Ti(NtBu)Cl","","","- C80 H78 Cl N2 O3 P3 Ti2 -","- C80 H78 Cl N2 O3 P3 Ti2 -","- C320 H312 Cl4 N8 O12 P12 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0911","0.0747","","","0.1468","0.1525","","","","","","1.227","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518203","9.8644","0.0009","12.5071","0.0011","12.5128","0.001","116.587","0.002","93.947","0.003","112.994","0.003","1213.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ti(NTol)Cl2bipy*","","","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","1","0.5","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0793","0.0506","","","0.1208","0.139","","","","","","1.058","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518214","11.7514","0.0004","13.3298","0.0005","9.6736","0.0003","90","","95.87","0.004","90","","1507.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 Cl2 N S -","- C16 H13 Cl2 N S -","- C64 H52 Cl8 N4 S4 -","4","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.044","0.0433","","","0.1113","0.1118","","","","","","1.092","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518215","7.9208","0.0001","5.9641","0.0001","13.9611","0.0002","90","","95.677","0.002","90","","656.294","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H11 Cl2 N S -","- C14 H11 Cl2 N S -","- C28 H22 Cl4 N2 S2 -","2","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.028","0.0263","","","0.0635","0.0642","","","","","","1.054","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518216","12.1646","0.0017","21.938","0.002","16.962","0.002","90","","102.835","0.004","90","","4413.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H90 Br5 N13 Ni4 O3 -","- C81 H90 Br5 N13 Ni4 O3 -","- C162 H180 Br10 N26 Ni8 O6 -","2","1","","Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong","Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines","ACS Catalysis","2020","10","22","13641","13649","10.1021/acscatal.0c03428","","","0.71073","MoKα","","0.0756","0.0511","","","0.1247","0.1352","","","","","","0.992","","","","has coordinates","259504","2020-12-04","02:12:20",""